# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-08-13T12:26:00+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (year = 2026 AND duplicateof IS NULL AND (status is NULL OR status != 'errors') AND (method is NULL OR method != 'theoretical'))
# ORDER BY file asc
file,a,siga,b,sigb,c,sigc,alpha,sigalpha,beta,sigbeta,gamma,siggamma,vol,sigvol,celltemp,sigcelltemp,diffrtemp,sigdiffrtemp,cellpressure,sigcellpressure,diffrpressure,sigdiffrpressure,thermalhist,pressurehist,compoundsource,nel,sg,sgHall,sgNumber,commonname,chemname,mineral,formula,calcformula,cellformula,Z,Zprime,acce_code,authors,title,journal,year,volume,issue,firstpage,lastpage,doi,method,radiation,wavelength,radType,radSymbol,Rall,Robs,Rref,wRall,wRobs,wRref,RFsqd,RI,gofall,gofobs,gofgt,gofref,duplicateof,optimal,status,flags,svnrevision,date,time,onhold
"1574876","9.885","0.002","10.504","0.003","10.763","0.003","78.835","0.011","87.376","0.012","88.318","0.013","1095","0.5","173","","173","","","","","","","","","3","P -1","-P 1","2","","","","- C24 H24 O9 -","- C24 H24 O9 -","- C48 H48 O18 -","2","1","","Davidson, Daniel J.; Sansom, Geraud N.; Miles-Barrett, Daniel M; Cordes, David B.; Slawin, Alexandra M. Z.; Montgomery, James R. D.; Lebl, Tomas; Connor, Ann; Danby, Andrew M.; Gronnow, Mark J.; Parry, Neil J.; Hosking, Sarah L.; Grainger, David S.; Westwood, Nicholas J.","Organosolv processing of Sitka spruce sawdust: large scale preparation of native-like lignin and lignin<sup>OX</sup> for valorisation.","Faraday discussions","2026","263","0","98","122","10.1039/d5fd00074b","","x-ray","0.71073","MoKα","","0.0888","0.0522","","","0.1218","0.1438","","","","","","1.074","","","","has coordinates","304930","2026-03-05","12:58:28",""
"1574922","8.9084","0.0005","9.6525","0.0007","22.6244","0.0015","90","","90","","90","","1945.4","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H27 N O3 -","- C22 H27 N O3 -","- C88 H108 N4 O12 -","4","1","","Ray, Ranay Kumar; Sudhadevi Antharjanam, P. K.; Chakraborty, Debashis","Efficient and controlled ring-opening copolymerization of cyclohexene oxide with cyclic anhydrides catalyzed by proline-based chiral alkyl Al(III) compounds.","Faraday discussions","2026","262","0","191","211","10.1039/d5fd00048c","","","0.71073","MoKα","","0.0364","0.0343","","","0.0875","0.0887","","","","","","1.064","","","","has coordinates","304929","2026-03-05","12:58:14",""
"1574923","13.2631","0.0007","7.2788","0.0005","15.3502","0.0009","90","","100.335","0.002","90","","1457.86","0.15","110","2","110","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C31 H38 Al F2 N O3 -","- C31 H38 Al F2 N O3 -","- C62 H76 Al2 F4 N2 O6 -","2","1","","Ray, Ranay Kumar; Sudhadevi Antharjanam, P. K.; Chakraborty, Debashis","Efficient and controlled ring-opening copolymerization of cyclohexene oxide with cyclic anhydrides catalyzed by proline-based chiral alkyl Al(III) compounds.","Faraday discussions","2026","262","0","191","211","10.1039/d5fd00048c","","","0.71073","MoKα","","0.0373","0.0356","","","0.0946","0.0962","","","","","","1.03","","","","has coordinates","304929","2026-03-05","12:58:14",""
"1574924","9.4226","0.0004","14.8275","0.0005","20.4148","0.0008","90","","90","","90","","2852.23","0.19","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H40 Al N O3 -","- C31 H40 Al N O3 -","- C124 H160 Al4 N4 O12 -","4","1","","Ray, Ranay Kumar; Sudhadevi Antharjanam, P. K.; Chakraborty, Debashis","Efficient and controlled ring-opening copolymerization of cyclohexene oxide with cyclic anhydrides catalyzed by proline-based chiral alkyl Al(III) compounds.","Faraday discussions","2026","262","0","191","211","10.1039/d5fd00048c","","","0.71073","MoKα","","0.0391","0.036","","","0.0872","0.0891","","","","","","1.074","","","","has coordinates,has disorder","304929","2026-03-05","12:58:14",""
"1574925","9.466","0.002","9.466","0.002","49.901","0.01","90","0.03","90","0.03","120","0.03","3872.3","1.8","120","2","120","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C52 H72 Al2 N2 O7 -","- C52 H72 Al2 N2 O7 -","- C156 H216 Al6 N6 O21 -","3","0.5","","Ray, Ranay Kumar; Sudhadevi Antharjanam, P. K.; Chakraborty, Debashis","Efficient and controlled ring-opening copolymerization of cyclohexene oxide with cyclic anhydrides catalyzed by proline-based chiral alkyl Al(III) compounds.","Faraday discussions","2026","262","0","191","211","10.1039/d5fd00048c","","","0.71073","MoKα","","0.0641","0.0591","","","0.1369","0.14","","","","","","1.18","","","","has coordinates,has disorder","304929","2026-03-05","12:58:14",""
"1575953","13.7374","0.0016","12.6237","0.0015","15.635","0.0019","90","","90","","90","","2711.4","0.6","293","2","293","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C16 H21 B10 N2 O6 Zn -","- C16 H21 B10 N2 O6 Zn -","- C64 H84 B40 N8 O24 Zn4 -","4","0.5","","Liu, Changhong; Xiong, Guangzu; Wang, Yuzhe; Yang, Wenlei; Yuan, Yiwen; Wang, Hui; Wang, Lingyao; Zhang, Yuanbin","Moderately polarized carborane-MOF with inverse C<sub>2</sub> selectivity for one-step polymer-grade ethylene purification.","Materials horizons","2026","13","1","473","479","10.1039/d5mh01641j","","","0.6888","synchrotron","","0.1566","0.1224","","","0.3194","0.3468","","","","","","1.113","","","","has coordinates,has disorder","304962","2026-03-05","13:13:44",""
"1576078","7.1489","0.0002","13.4533","0.0004","8.2583","0.0002","90","","108.226","0.001","90","","754.41","0.04","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H26 B6 Os -","- C10 H25.9998 B6 Os -","- C20 H51.9996 B12 Os2 -","2","1","","Kar, Ketaki; Joshi, Gaurav; Jemmis, Eluvathingal D.; Ghosh, Sundargopal","All-boron analogue of planar benzene on an osmium template.","Chemical science","2026","17","1","196","204","10.1039/d5sc06992k","","","0.71073","MoKα","","0.0221","0.0215","","","0.0506","0.0512","","","","","","1.072","","","","has coordinates,has disorder","304872","2026-03-05","12:21:31",""
"1576079","8.1325","0.0003","12.8806","0.0005","14.1056","0.0004","90","","90","","90","","1477.58","0.09","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H24 B4 Os -","- C10 H24 B4 Os -","- C40 H96 B16 Os4 -","4","1","","Kar, Ketaki; Joshi, Gaurav; Jemmis, Eluvathingal D.; Ghosh, Sundargopal","All-boron analogue of planar benzene on an osmium template.","Chemical science","2026","17","1","196","204","10.1039/d5sc06992k","","","0.71073","MoKα","","0.0147","0.0143","","","0.0354","0.0355","","","","","","1.152","","","","has coordinates","304872","2026-03-05","12:21:31",""
"1576080","13.9545","0.0005","8.2607","0.0003","13.1269","0.0005","90","","90","","90","","1513.19","0.1","110","2","110","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C10 H27 B5 Os -","- C10 H15 B5 Os -","- C40 H60 B20 Os4 -","4","1","","Kar, Ketaki; Joshi, Gaurav; Jemmis, Eluvathingal D.; Ghosh, Sundargopal","All-boron analogue of planar benzene on an osmium template.","Chemical science","2026","17","1","196","204","10.1039/d5sc06992k","","","0.71073","MoKα","","0.0646","0.0453","","","0.126","0.142","","","","","","1.075","","","","has coordinates,has disorder","304872","2026-03-05","12:21:31",""
"1576098","5.6533","0.0005","11.5377","0.001","7.4907","0.0008","90","","99.493","0.005","90","","481.9","0.08","295","2","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C3 H4 N2 O S -","- C3 H4 N2 O S -","- C12 H16 N8 O4 S4 -","4","1","","Chen, Xiang; Tao, Siyu; Chen, Ruijia; Zhao, Zihao; Zhang, Qiang; Li, Anze; Yang, Guangxin; Liu, Wenbin; Yuan, Wang Zhang","Site-selective thionation and doping enabled tunable full-color emission in nonconventional luminophores.","Materials horizons","2026","13","3","1412","1420","10.1039/d5mh01519g","","","1.54178","CuKα","","0.0401","0.0384","","","0.1069","0.1086","","","","","","1.085","","","","has coordinates","305452","2026-04-05","12:29:24",""
"1576099","7.2223","0.0006","7.5798","0.0006","9.9313","0.0008","90","","102.849","0.002","90","","530.06","0.07","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C3 H3 N O S2 -","- C3 H3 N O S2 -","- C12 H12 N4 O4 S8 -","4","1","","Chen, Xiang; Tao, Siyu; Chen, Ruijia; Zhao, Zihao; Zhang, Qiang; Li, Anze; Yang, Guangxin; Liu, Wenbin; Yuan, Wang Zhang","Site-selective thionation and doping enabled tunable full-color emission in nonconventional luminophores.","Materials horizons","2026","13","3","1412","1420","10.1039/d5mh01519g","","","1.54178","CuKα","","0.021","0.0206","","","0.0511","0.0513","","","","","","1.084","","","","has coordinates","305452","2026-04-05","12:29:24",""
"1576100","7.3097","0.0002","9.3825","0.0003","13.1497","0.0004","90","","90","","90","","901.85","0.05","173","2","173","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C3 H3 N O2 S -","- C3 H3 N O2 S -","- C24 H24 N8 O16 S8 -","8","1","","Chen, Xiang; Tao, Siyu; Chen, Ruijia; Zhao, Zihao; Zhang, Qiang; Li, Anze; Yang, Guangxin; Liu, Wenbin; Yuan, Wang Zhang","Site-selective thionation and doping enabled tunable full-color emission in nonconventional luminophores.","Materials horizons","2026","13","3","1412","1420","10.1039/d5mh01519g","","","1.54178","CuKα","","0.0255","0.0248","","","0.0604","0.0606","","","","","","1.058","","","","has coordinates,has disorder","305452","2026-04-05","12:29:24",""
"1576129","16.305","0.0003","9.1766","0.0002","8.613","0.0002","90","","97.123","0.002","90","","1278.77","0.05","100.03","0.1","100.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 Br2 I4 N2 Pb -","- C16 H22 Br2 I4 N2 Pb -","- C32 H44 Br4 I8 N4 Pb2 -","2","0.5","","Gao, Feifei; Li, Xiang; Zhang, Ying; Qin, Yan; Song, Hai-Peng; Wu, Min; Zhang, Shuqi; Wang, Xu; Li, Wei; Wu, Xiang; Xu, Hui","Pressure-driven interconversion between Ruddlesden-Popper and Dion-Jacobson phases in two-dimensional hybrid perovskites <i>via</i> supramolecular interactions.","Materials horizons","2026","13","2","800","809","10.1039/d5mh01588j","","","0.71073","MoKα","","0.0191","0.0185","","","0.0404","0.0406","","","","","","1.196","","","","has coordinates","304963","2026-03-05","13:14:31",""
"1576135","5.9577","0.0013","5.9577","0.0013","5.9577","0.0013","90","","90","","90","","211.46","0.08","295","","295","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C Br3 N2 Pb0.84 Sn0.16 -","- C Br3 N2.0004 Pb0.84 Sn0.1599 -","- C Br3 N2.0004 Pb0.84 Sn0.1599 -","1","0.0208333","","Balvanz, Adam; Pournara, Anastasia; Reynolds, Robert P.; Meza, Patricia E.; Malliakas, Christos D.; Fletcher, Jared D.; Seshadri, Ram; Dravid, Vinayak P.; Kanatzidis, Mercouri G.","Tuning optical properties and local lone-pair off-centering in ""hollow"" FA<sub>1-<i>x</i></sub> {<i>en</i>} <sub><i>x</i></sub> Pb <sub><i>η</i>-<i>y</i></sub> Sn <sub><i>y</i></sub> Br<sub>3</sub> perovskites.","Chemical science","2026","17","1","526","543","10.1039/d5sc01841b","","","0.56083","AgKα","","0.0267","0.0263","","","0.075","0.0751","","","","","","1.336","","","","has coordinates,has disorder","304869","2026-03-05","12:20:20",""
"1576136","5.959","0.002","5.959","0.002","5.959","0.002","90","","90","","90","","211.6","0.12","295","","295","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C Br3 N2 Pb0.21 Sn0.79 -","- C Br3 N2.0004 Pb0.21 Sn0.79 -","- C Br3 N2.0004 Pb0.21 Sn0.79 -","1","0.0208333","","Balvanz, Adam; Pournara, Anastasia; Reynolds, Robert P.; Meza, Patricia E.; Malliakas, Christos D.; Fletcher, Jared D.; Seshadri, Ram; Dravid, Vinayak P.; Kanatzidis, Mercouri G.","Tuning optical properties and local lone-pair off-centering in ""hollow"" FA<sub>1-<i>x</i></sub> {<i>en</i>} <sub><i>x</i></sub> Pb <sub><i>η</i>-<i>y</i></sub> Sn <sub><i>y</i></sub> Br<sub>3</sub> perovskites.","Chemical science","2026","17","1","526","543","10.1039/d5sc01841b","","","0.56083","AgKα","","0.0479","0.0463","","","0.122","0.1255","","","","","","1.306","","","","has coordinates","304869","2026-03-05","12:20:20",""
"1576137","6.0213","0.0007","6.0213","0.0007","6.0213","0.0007","90","","90","","90","","218.31","0.04","296.52","0.1","296.52","","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C1.232 H6.159 Br3 N2 Pb0.22 Sn0.664 -","- C0.7682 Br3 N1.521 Pb0.2204 Sn0.6637 -","- C0.7682 Br3 N1.521 Pb0.2204 Sn0.6637 -","1","0.0208333","","Balvanz, Adam; Pournara, Anastasia; Reynolds, Robert P.; Meza, Patricia E.; Malliakas, Christos D.; Fletcher, Jared D.; Seshadri, Ram; Dravid, Vinayak P.; Kanatzidis, Mercouri G.","Tuning optical properties and local lone-pair off-centering in ""hollow"" FA<sub>1-<i>x</i></sub> {<i>en</i>} <sub><i>x</i></sub> Pb <sub><i>η</i>-<i>y</i></sub> Sn <sub><i>y</i></sub> Br<sub>3</sub> perovskites.","Chemical science","2026","17","1","526","543","10.1039/d5sc01841b","","x-ray","0.71073","MoKα","","0.0633","0.0402","","","0.1058","0.1112","","","","1.91","1.91","1.58","","","","has coordinates","304869","2026-03-05","12:20:20",""
"1576138","6.0226","0.0007","6.0226","0.0007","6.0226","0.0007","90","","90","","90","","218.45","0.04","296.05","0.18","296.05","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C0.888 H0 Br3 N1.759 Sn0.944 -","- C0.8882 Br3 N1.7586 Sn0.9441 -","- C0.8882 Br3 N1.7586 Sn0.9441 -","1","0.0208333","","Balvanz, Adam; Pournara, Anastasia; Reynolds, Robert P.; Meza, Patricia E.; Malliakas, Christos D.; Fletcher, Jared D.; Seshadri, Ram; Dravid, Vinayak P.; Kanatzidis, Mercouri G.","Tuning optical properties and local lone-pair off-centering in ""hollow"" FA<sub>1-<i>x</i></sub> {<i>en</i>} <sub><i>x</i></sub> Pb <sub><i>η</i>-<i>y</i></sub> Sn <sub><i>y</i></sub> Br<sub>3</sub> perovskites.","Chemical science","2026","17","1","526","543","10.1039/d5sc01841b","","x-ray","0.71073","MoKα","","0.0881","0.0586","","","0.1835","0.1888","","","","3.59","3.59","2.65","","","","has coordinates","304869","2026-03-05","12:20:20",""
"1576139","6.0075","0.0007","6.0075","0.0007","6.0075","0.0007","90","","90","","90","","216.81","0.04","296.45","0.1","296.45","","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C1.121 H5.602 Br3 N2 Pb0.418 Sn0.522 -","- C0.8795 Br3 N1.7412 Pb0.4175 Sn0.5222 -","- C0.8795 Br3 N1.7412 Pb0.4175 Sn0.5222 -","1","0.0208333","","Balvanz, Adam; Pournara, Anastasia; Reynolds, Robert P.; Meza, Patricia E.; Malliakas, Christos D.; Fletcher, Jared D.; Seshadri, Ram; Dravid, Vinayak P.; Kanatzidis, Mercouri G.","Tuning optical properties and local lone-pair off-centering in ""hollow"" FA<sub>1-<i>x</i></sub> {<i>en</i>} <sub><i>x</i></sub> Pb <sub><i>η</i>-<i>y</i></sub> Sn <sub><i>y</i></sub> Br<sub>3</sub> perovskites.","Chemical science","2026","17","1","526","543","10.1039/d5sc01841b","","x-ray","0.71073","MoKα","","0.0467","0.0327","","","0.0795","0.0834","","","","1.5","1.5","1.35","","","","has coordinates","304869","2026-03-05","12:20:20",""
"1576140","6.0315","0.001","6.0315","0.001","6.0315","0.001","90","","90","","90","","219.42","0.06","296.25","0.1","296.25","","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C1.356 H6.78 Br3 N2 Pb0.422 Sn0.4 -","- C0.6442 Br3 N1.275 Pb0.4225 Sn0.3995 -","- C0.6442 Br3 N1.275 Pb0.4225 Sn0.3995 -","1","0.0208333","","Balvanz, Adam; Pournara, Anastasia; Reynolds, Robert P.; Meza, Patricia E.; Malliakas, Christos D.; Fletcher, Jared D.; Seshadri, Ram; Dravid, Vinayak P.; Kanatzidis, Mercouri G.","Tuning optical properties and local lone-pair off-centering in ""hollow"" FA<sub>1-<i>x</i></sub> {<i>en</i>} <sub><i>x</i></sub> Pb <sub><i>η</i>-<i>y</i></sub> Sn <sub><i>y</i></sub> Br<sub>3</sub> perovskites.","Chemical science","2026","17","1","526","543","10.1039/d5sc01841b","","x-ray","0.71073","MoKα","","0.0983","0.0481","","","0.1186","0.127","","","","2.14","2.14","1.58","","","","has coordinates","304869","2026-03-05","12:20:21",""
"1576141","5.9617","0.0018","5.9617","0.0018","5.9617","0.0018","90","","90","","90","","211.89","0.11","295","","295","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C Br3 N2 Pb0.5 Sn0.5 -","- C Br3 N2.0004 Pb0.5002 Sn0.5002 -","- C Br3 N2.0004 Pb0.5002 Sn0.5002 -","1","0.0208333","","Balvanz, Adam; Pournara, Anastasia; Reynolds, Robert P.; Meza, Patricia E.; Malliakas, Christos D.; Fletcher, Jared D.; Seshadri, Ram; Dravid, Vinayak P.; Kanatzidis, Mercouri G.","Tuning optical properties and local lone-pair off-centering in ""hollow"" FA<sub>1-<i>x</i></sub> {<i>en</i>} <sub><i>x</i></sub> Pb <sub><i>η</i>-<i>y</i></sub> Sn <sub><i>y</i></sub> Br<sub>3</sub> perovskites.","Chemical science","2026","17","1","526","543","10.1039/d5sc01841b","","","0.56083","AgKα","","0.0303","0.0303","","","0.0829","0.0829","","","","","","1.219","","","","has coordinates,has disorder","304869","2026-03-05","12:20:21",""
"1576142","6.0133","0.0004","6.0133","0.0004","6.0133","0.0004","90","","90","","90","","217.44","0.03","295","0.11","295","","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C1.245 H6.225 Br3 N2 Pb0.693 Sn0.185 -","- C0.755 Br3 N1.4952 Pb0.6927 Sn0.1848 -","- C0.755 Br3 N1.4952 Pb0.6927 Sn0.1848 -","1","0.0208333","","Balvanz, Adam; Pournara, Anastasia; Reynolds, Robert P.; Meza, Patricia E.; Malliakas, Christos D.; Fletcher, Jared D.; Seshadri, Ram; Dravid, Vinayak P.; Kanatzidis, Mercouri G.","Tuning optical properties and local lone-pair off-centering in ""hollow"" FA<sub>1-<i>x</i></sub> {<i>en</i>} <sub><i>x</i></sub> Pb <sub><i>η</i>-<i>y</i></sub> Sn <sub><i>y</i></sub> Br<sub>3</sub> perovskites.","Chemical science","2026","17","1","526","543","10.1039/d5sc01841b","","x-ray","0.71073","MoKα","","0.0464","0.0355","","","0.0919","0.0952","","","","1.67","1.67","1.54","","","","has coordinates","304869","2026-03-05","12:20:21",""
"1576143","6.0566","0.0006","6.0566","0.0006","6.0566","0.0006","90","","90","","90","","222.17","0.04","296.55","0.1","296.55","","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C1.45 H7.254 Br3 N2 Pb0.607 Sn0.168 -","- C0.5491 Br3 N1.0896 Pb0.6067 Sn0.1677 -","- C0.5491 Br3 N1.0896 Pb0.6067 Sn0.1677 -","1","0.0208333","","Balvanz, Adam; Pournara, Anastasia; Reynolds, Robert P.; Meza, Patricia E.; Malliakas, Christos D.; Fletcher, Jared D.; Seshadri, Ram; Dravid, Vinayak P.; Kanatzidis, Mercouri G.","Tuning optical properties and local lone-pair off-centering in ""hollow"" FA<sub>1-<i>x</i></sub> {<i>en</i>} <sub><i>x</i></sub> Pb <sub><i>η</i>-<i>y</i></sub> Sn <sub><i>y</i></sub> Br<sub>3</sub> perovskites.","Chemical science","2026","17","1","526","543","10.1039/d5sc01841b","","x-ray","0.71073","MoKα","","0.0445","0.0426","","","0.1301","0.1307","","","","2.66","2.66","2.63","","","","has coordinates","304869","2026-03-05","12:20:21",""
"1576144","6.0203","0.0006","6.0203","0.0006","6.0203","0.0006","90","","90","","90","","218.2","0.04","296.28","0.1","296.28","","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C1.11 H5.552 Br3 N2 Pb0.753 Sn0.187 -","- C0.8894 Br3 N1.7616 Pb0.753 Sn0.1868 -","- C0.8894 Br3 N1.7616 Pb0.753 Sn0.1868 -","1","0.0208333","","Balvanz, Adam; Pournara, Anastasia; Reynolds, Robert P.; Meza, Patricia E.; Malliakas, Christos D.; Fletcher, Jared D.; Seshadri, Ram; Dravid, Vinayak P.; Kanatzidis, Mercouri G.","Tuning optical properties and local lone-pair off-centering in ""hollow"" FA<sub>1-<i>x</i></sub> {<i>en</i>} <sub><i>x</i></sub> Pb <sub><i>η</i>-<i>y</i></sub> Sn <sub><i>y</i></sub> Br<sub>3</sub> perovskites.","Chemical science","2026","17","1","526","543","10.1039/d5sc01841b","","x-ray","0.71073","MoKα","","0.036","0.0326","","","0.0762","0.0774","","","","1.41","1.41","1.37","","","","has coordinates","304869","2026-03-05","12:20:21",""
"1576145","6.0379","0.0007","6.0379","0.0007","6.0379","0.0007","90","","90","","90","","220.12","0.04","296.49","0.1","296.49","","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C1.35 H6.75 Br3 N2 Pb0.648 Sn0.177 -","- C0.6504 Br3 N1.2876 Pb0.648 Sn0.1769 -","- C0.6504 Br3 N1.2876 Pb0.648 Sn0.1769 -","1","0.0208333","","Balvanz, Adam; Pournara, Anastasia; Reynolds, Robert P.; Meza, Patricia E.; Malliakas, Christos D.; Fletcher, Jared D.; Seshadri, Ram; Dravid, Vinayak P.; Kanatzidis, Mercouri G.","Tuning optical properties and local lone-pair off-centering in ""hollow"" FA<sub>1-<i>x</i></sub> {<i>en</i>} <sub><i>x</i></sub> Pb <sub><i>η</i>-<i>y</i></sub> Sn <sub><i>y</i></sub> Br<sub>3</sub> perovskites.","Chemical science","2026","17","1","526","543","10.1039/d5sc01841b","","x-ray","0.71073","MoKα","","0.0596","0.0413","","","0.1065","0.1103","","","","2","2","1.71","","","","has coordinates","304869","2026-03-05","12:20:21",""
"1576146","6.0324","0.0007","6.0324","0.0007","6.0324","0.0007","90","","90","","90","","219.52","0.04","296.47","0.1","296.47","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C1.198 H5.979 Br3 N2 Sn0.902 -","- C0.8064 Br3 N1.5936 Sn0.9024 -","- C0.8064 Br3 N1.5936 Sn0.9024 -","1","0.0208333","","Balvanz, Adam; Pournara, Anastasia; Reynolds, Robert P.; Meza, Patricia E.; Malliakas, Christos D.; Fletcher, Jared D.; Seshadri, Ram; Dravid, Vinayak P.; Kanatzidis, Mercouri G.","Tuning optical properties and local lone-pair off-centering in ""hollow"" FA<sub>1-<i>x</i></sub> {<i>en</i>} <sub><i>x</i></sub> Pb <sub><i>η</i>-<i>y</i></sub> Sn <sub><i>y</i></sub> Br<sub>3</sub> perovskites.","Chemical science","2026","17","1","526","543","10.1039/d5sc01841b","","x-ray","0.71073","MoKα","","0.1002","0.0501","","","0.1495","0.1589","","","","2.89","2.89","2","","","","has coordinates","304869","2026-03-05","12:20:21",""
"1576147","6.0349","0.0014","6.0349","0.0014","6.0349","0.0014","90","","90","","90","","219.79","0.09","296.1","0.3","296.1","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C1.275 H6.378 Br3 N2 Sn0.862 -","- C0.7243 Br3 N1.434 Sn0.8621 -","- C0.7243 Br3 N1.434 Sn0.8621 -","1","0.0208333","","Balvanz, Adam; Pournara, Anastasia; Reynolds, Robert P.; Meza, Patricia E.; Malliakas, Christos D.; Fletcher, Jared D.; Seshadri, Ram; Dravid, Vinayak P.; Kanatzidis, Mercouri G.","Tuning optical properties and local lone-pair off-centering in ""hollow"" FA<sub>1-<i>x</i></sub> {<i>en</i>} <sub><i>x</i></sub> Pb <sub><i>η</i>-<i>y</i></sub> Sn <sub><i>y</i></sub> Br<sub>3</sub> perovskites.","Chemical science","2026","17","1","526","543","10.1039/d5sc01841b","","x-ray","0.71073","MoKα","","0.048","0.0481","","","0.1411","0.1411","","","","2.87","2.87","2.85","","","","has coordinates","304869","2026-03-05","12:20:21",""
"1576148","6.0371","0.001","6.0371","0.001","6.0371","0.001","90","","90","","90","","220.03","0.06","296.32","0.1","296.32","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C1.332 H6.65 Br3 N2 Sn0.835 -","- C0.672 Br3 N1.3248 Sn0.8352 -","- C0.672 Br3 N1.3248 Sn0.8352 -","1","0.0208333","","Balvanz, Adam; Pournara, Anastasia; Reynolds, Robert P.; Meza, Patricia E.; Malliakas, Christos D.; Fletcher, Jared D.; Seshadri, Ram; Dravid, Vinayak P.; Kanatzidis, Mercouri G.","Tuning optical properties and local lone-pair off-centering in ""hollow"" FA<sub>1-<i>x</i></sub> {<i>en</i>} <sub><i>x</i></sub> Pb <sub><i>η</i>-<i>y</i></sub> Sn <sub><i>y</i></sub> Br<sub>3</sub> perovskites.","Chemical science","2026","17","1","526","543","10.1039/d5sc01841b","","x-ray","0.71073","MoKα","","0.06","0.0576","","","0.154","0.1549","","","","3.13","3.13","2.97","","","","has coordinates","304869","2026-03-05","12:20:21",""
"1576149","6.0413","0.0003","6.0413","0.0003","6.0413","0.0003","90","","90","","90","","220.491","0.019","296.52","0.12","296.52","","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C1.38 H6.53 Br3 N2 Pb0.422 Sn0.425 -","- C0.768 Br3 N1.5312 Pb0.4218 Sn0.4252 -","- C0.768 Br3 N1.5312 Pb0.4218 Sn0.4252 -","1","0.0208333","","Balvanz, Adam; Pournara, Anastasia; Reynolds, Robert P.; Meza, Patricia E.; Malliakas, Christos D.; Fletcher, Jared D.; Seshadri, Ram; Dravid, Vinayak P.; Kanatzidis, Mercouri G.","Tuning optical properties and local lone-pair off-centering in ""hollow"" FA<sub>1-<i>x</i></sub> {<i>en</i>} <sub><i>x</i></sub> Pb <sub><i>η</i>-<i>y</i></sub> Sn <sub><i>y</i></sub> Br<sub>3</sub> perovskites.","Chemical science","2026","17","1","526","543","10.1039/d5sc01841b","","x-ray","0.71073","MoKα","","0.0589","0.0418","","","0.0992","0.103","","","","1.88","1.88","1.61","","","","has coordinates","304869","2026-03-05","12:20:21",""
"1576150","5.997","0.0008","5.997","0.0008","5.997","0.0008","90","","90","","90","","215.68","0.05","296.4","0.1","296.4","","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C1.093 H5.5 Br3 N2 Pb0.237 Sn0.716 -","- C0.9072 Br3 N1.7952 Pb0.2369 Sn0.7164 -","- C0.9072 Br3 N1.7952 Pb0.2369 Sn0.7164 -","1","0.0208333","","Balvanz, Adam; Pournara, Anastasia; Reynolds, Robert P.; Meza, Patricia E.; Malliakas, Christos D.; Fletcher, Jared D.; Seshadri, Ram; Dravid, Vinayak P.; Kanatzidis, Mercouri G.","Tuning optical properties and local lone-pair off-centering in ""hollow"" FA<sub>1-<i>x</i></sub> {<i>en</i>} <sub><i>x</i></sub> Pb <sub><i>η</i>-<i>y</i></sub> Sn <sub><i>y</i></sub> Br<sub>3</sub> perovskites.","Chemical science","2026","17","1","526","543","10.1039/d5sc01841b","","x-ray","0.71073","MoKα","","0.0508","0.0508","","","0.1241","0.1241","","","","2.37","2.37","2.37","","","","has coordinates","304869","2026-03-05","12:20:21",""
"1576151","6.0644","0.0007","6.0644","0.0007","6.0644","0.0007","90","","90","","90","","223.03","0.04","296.47","0.1","296.47","","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C1.341 H6.684 Br3 N2 Pb0.22 Sn0.611 -","- C0.6667 Br3 N1.32 Pb0.2202 Sn0.6114 -","- C0.6667 Br3 N1.32 Pb0.2202 Sn0.6114 -","1","0.0208333","","Balvanz, Adam; Pournara, Anastasia; Reynolds, Robert P.; Meza, Patricia E.; Malliakas, Christos D.; Fletcher, Jared D.; Seshadri, Ram; Dravid, Vinayak P.; Kanatzidis, Mercouri G.","Tuning optical properties and local lone-pair off-centering in ""hollow"" FA<sub>1-<i>x</i></sub> {<i>en</i>} <sub><i>x</i></sub> Pb <sub><i>η</i>-<i>y</i></sub> Sn <sub><i>y</i></sub> Br<sub>3</sub> perovskites.","Chemical science","2026","17","1","526","543","10.1039/d5sc01841b","","x-ray","0.71073","MoKα","","0.0685","0.0679","","","0.1628","0.1629","","","","3.15","3.15","3.12","","","","has coordinates","304869","2026-03-05","12:20:21",""
"1576152","6.0411","0.0005","6.0411","0.0005","6.0411","0.0005","90","","90","","90","","220.47","0.03","296.51","0.1","296.51","","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C1.275 H6.378 Br3 N2 Pb0.225 Sn0.638 -","- C0.7245 Br3 N1.4346 Pb0.2246 Sn0.6376 -","- C0.7245 Br3 N1.4346 Pb0.2246 Sn0.6376 -","1","0.0208333","","Balvanz, Adam; Pournara, Anastasia; Reynolds, Robert P.; Meza, Patricia E.; Malliakas, Christos D.; Fletcher, Jared D.; Seshadri, Ram; Dravid, Vinayak P.; Kanatzidis, Mercouri G.","Tuning optical properties and local lone-pair off-centering in ""hollow"" FA<sub>1-<i>x</i></sub> {<i>en</i>} <sub><i>x</i></sub> Pb <sub><i>η</i>-<i>y</i></sub> Sn <sub><i>y</i></sub> Br<sub>3</sub> perovskites.","Chemical science","2026","17","1","526","543","10.1039/d5sc01841b","","x-ray","0.71073","MoKα","","0.0771","0.045","","","0.1099","0.1187","","","","2","2","1.64","","","","has coordinates","304869","2026-03-05","12:20:21",""
"1576153","6.0236","0.0007","6.0236","0.0007","6.0236","0.0007","90","","90","","90","","218.56","0.04","296.52","0.1","296.52","","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C1.226 H5.966 Br3 N2 Pb0.429 Sn0.474 -","- C0.84 Br3 N1.776 Pb0.4292 Sn0.4742 -","- C0.84 Br3 N1.776 Pb0.4292 Sn0.4742 -","1","0.0208333","","Balvanz, Adam; Pournara, Anastasia; Reynolds, Robert P.; Meza, Patricia E.; Malliakas, Christos D.; Fletcher, Jared D.; Seshadri, Ram; Dravid, Vinayak P.; Kanatzidis, Mercouri G.","Tuning optical properties and local lone-pair off-centering in ""hollow"" FA<sub>1-<i>x</i></sub> {<i>en</i>} <sub><i>x</i></sub> Pb <sub><i>η</i>-<i>y</i></sub> Sn <sub><i>y</i></sub> Br<sub>3</sub> perovskites.","Chemical science","2026","17","1","526","543","10.1039/d5sc01841b","","x-ray","0.71073","MoKα","","0.056","0.0353","","","0.095","0.1","","","","1.71","1.71","1.47","","","","has coordinates","304869","2026-03-05","12:20:21",""
"1576154","48.656","0.001","15.8779","0.0003","48.7057","0.0009","90","","93.165","0.002","90","","37570.4","1.3","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","[PCP{N(Dipp)CH2}2]3*2hex","","- C93 H142 N6 P6 -","- C81 H114 N6 P6 -","- C1296 H1824 N96 P96 -","16","2","","Meier, David C.; García-Romero, Álvaro; González-Pinardo, Daniel; Rees, Nicholas H.; Lovstedt, Alex; Fernández, Israel; Goicoechea, Jose M.","Exceptionally large ""through-space"" nuclear spin coupling in a 2,4,6-tri(phosphanyl)-1,3,5-triphosphabenzene.","Chemical science","2026","17","1","544","554","10.1039/d5sc07729j","","","1.54178","CuKα","","0.0805","0.0553","","","0.1314","0.1464","","","","","","1.02","","","","has coordinates","304870","2026-03-05","12:20:50",""
"1576155","13.5678","0.0006","13.7534","0.0007","15.5834","0.0007","79.661","0.002","86.029","0.002","65.26","0.002","2598.1","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","[PCP{N(Dipp)CH2}2]2","","- C54 H76 N4 P4 -","- C54 H76 N4 P4 -","- C108 H152 N8 P8 -","2","1","","Meier, David C.; García-Romero, Álvaro; González-Pinardo, Daniel; Rees, Nicholas H.; Lovstedt, Alex; Fernández, Israel; Goicoechea, Jose M.","Exceptionally large ""through-space"" nuclear spin coupling in a 2,4,6-tri(phosphanyl)-1,3,5-triphosphabenzene.","Chemical science","2026","17","1","544","554","10.1039/d5sc07729j","","","0.71073","MoKα","","0.0597","0.0518","","","0.126","0.1364","","","","","","1.104","","","","has coordinates","304870","2026-03-05","12:20:50",""
"1576156","12.8201","0.0005","21.8399","0.0008","30.291","0.001","90","","92.626","0.002","90","","8472.3","0.5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","[PCP{N(Dipp)CH2}2]3*hex","","- C87 H128 N6 P6 -","- C87 H128 N6 P6 -","- C348 H512 N24 P24 -","4","1","","Meier, David C.; García-Romero, Álvaro; González-Pinardo, Daniel; Rees, Nicholas H.; Lovstedt, Alex; Fernández, Israel; Goicoechea, Jose M.","Exceptionally large ""through-space"" nuclear spin coupling in a 2,4,6-tri(phosphanyl)-1,3,5-triphosphabenzene.","Chemical science","2026","17","1","544","554","10.1039/d5sc07729j","","","1.54178","CuKα","","0.0893","0.0763","","","0.2004","0.2102","","","","","","1.094","","","","has coordinates,has disorder","304870","2026-03-05","12:20:50",""
"1576157","16.5538","0.0014","8.328","0.0006","36.149","0.003","90","","90","","90","","4983.5","0.7","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C24 H27 Cl3 Ir N3 O -","- C24 H27 Cl3 Ir N3 O -","- C192 H216 Cl24 Ir8 N24 O8 -","8","2","","Zheng, Chenggong; Liu, Jiyong; Wang, Yongtao; Li, Haoran; Wang, Yuwen; Lu, Zhan","The structural parameter of spin states of <i>C</i> <sub>1</sub>-symmetric four-coordinate cobalt complexes: <i>D</i> <sub>4</sub>.","Chemical science","2026","17","1","492","499","10.1039/d5sc06683b","","","0.71073","MoKα","","0.0628","0.0467","","","0.1096","0.1162","","","","","","1.091","","","","has coordinates","304876","2026-03-05","12:23:20",""
"1576158","8.5814","0.0008","11.8073","0.0012","21.467","0.002","90","","90","","90","","2175.1","0.4","170","","170","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","OIPCoCl2","","","- C21 H25 Cl2 Co N3 O -","- C21 H25 Cl2 Co N3 O -","- C84 H100 Cl8 Co4 N12 O4 -","4","1","","Zheng, Chenggong; Liu, Jiyong; Wang, Yongtao; Li, Haoran; Wang, Yuwen; Lu, Zhan","The structural parameter of spin states of <i>C</i> <sub>1</sub>-symmetric four-coordinate cobalt complexes: <i>D</i> <sub>4</sub>.","Chemical science","2026","17","1","492","499","10.1039/d5sc06683b","","","1.34139","GaKα","","0.062","0.0424","","","0.0886","0.0953","","","","","","0.977","","","","has coordinates","304876","2026-03-05","12:23:20",""
"1576159","10.7384","0.0005","12.7561","0.0005","18.1854","0.0008","90","","90","","90","","2491.04","0.19","170","","170","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H33 Cl Co N3 S -","- C25 H33 Cl Co N3 S -","- C100 H132 Cl4 Co4 N12 S4 -","4","1","","Zheng, Chenggong; Liu, Jiyong; Wang, Yongtao; Li, Haoran; Wang, Yuwen; Lu, Zhan","The structural parameter of spin states of <i>C</i> <sub>1</sub>-symmetric four-coordinate cobalt complexes: <i>D</i> <sub>4</sub>.","Chemical science","2026","17","1","492","499","10.1039/d5sc06683b","","","1.34139","GaKα","","0.0315","0.0282","","","0.0615","0.0623","","","","","","0.999","","","","has coordinates","304876","2026-03-05","12:23:20",""
"1576160","15.7078","0.0008","9.7905","0.0005","18.7603","0.001","90","","114.343","0.003","90","","2628.6","0.2","170","","170","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H33 Cl2 Co N3 S -","- C25 H33 Cl2 Co N3 S -","- C100 H132 Cl8 Co4 N12 S4 -","4","2","","Zheng, Chenggong; Liu, Jiyong; Wang, Yongtao; Li, Haoran; Wang, Yuwen; Lu, Zhan","The structural parameter of spin states of <i>C</i> <sub>1</sub>-symmetric four-coordinate cobalt complexes: <i>D</i> <sub>4</sub>.","Chemical science","2026","17","1","492","499","10.1039/d5sc06683b","","","1.34139","GaKα","","0.0973","0.0619","","","0.1575","0.1747","","","","","","1.078","","","","has coordinates,has disorder","304876","2026-03-05","12:23:20",""
"1576161","14.2795","0.0009","10.5999","0.0007","21.1288","0.0013","90","","93.703","0.003","90","","3191.4","0.4","170","","170","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H36 Cl5 Co N3 O -","- C30 H36 Cl5 Co N3 O -","- C120 H144 Cl20 Co4 N12 O4 -","4","2","","Zheng, Chenggong; Liu, Jiyong; Wang, Yongtao; Li, Haoran; Wang, Yuwen; Lu, Zhan","The structural parameter of spin states of <i>C</i> <sub>1</sub>-symmetric four-coordinate cobalt complexes: <i>D</i> <sub>4</sub>.","Chemical science","2026","17","1","492","499","10.1039/d5sc06683b","","","1.34139","GaKα","","0.0736","0.0562","","","0.1502","0.1592","","","","","","1.073","","","","has coordinates","304876","2026-03-05","12:23:20",""
"1576162","11.1019","0.0007","8.0219","0.0005","12.0462","0.0008","90","","103.955","0.002","90","","1041.15","0.12","170","","170","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H28 Co N3 O -","- C22 H28 Co N3 O -","- C44 H56 Co2 N6 O2 -","2","1","","Zheng, Chenggong; Liu, Jiyong; Wang, Yongtao; Li, Haoran; Wang, Yuwen; Lu, Zhan","The structural parameter of spin states of <i>C</i> <sub>1</sub>-symmetric four-coordinate cobalt complexes: <i>D</i> <sub>4</sub>.","Chemical science","2026","17","1","492","499","10.1039/d5sc06683b","","","1.34139","GaKα","","0.0562","0.0481","","","0.1052","0.1082","","","","","","1.058","","","","has coordinates","304876","2026-03-05","12:23:20",""
"1576163","10.8009","0.0008","11.5483","0.0009","47.229","0.004","90","","90","","90","","5891","0.8","170","","170","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H41 Co N4 -","- C32 H41 Co N4 -","- C256 H328 Co8 N32 -","8","2","","Zheng, Chenggong; Liu, Jiyong; Wang, Yongtao; Li, Haoran; Wang, Yuwen; Lu, Zhan","The structural parameter of spin states of <i>C</i> <sub>1</sub>-symmetric four-coordinate cobalt complexes: <i>D</i> <sub>4</sub>.","Chemical science","2026","17","1","492","499","10.1039/d5sc06683b","","","1.34139","GaKα","","0.0745","0.0476","","","0.1102","0.1209","","","","","","0.969","","","","has coordinates","304876","2026-03-05","12:23:20",""
"1576164","9.2773","0.0003","14.4865","0.0005","20.6304","0.0007","90","","90","","90","","2772.64","0.16","170","","170","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H38 Co N3 O -","- C30 H38 Co N3 O -","- C120 H152 Co4 N12 O4 -","4","1","","Zheng, Chenggong; Liu, Jiyong; Wang, Yongtao; Li, Haoran; Wang, Yuwen; Lu, Zhan","The structural parameter of spin states of <i>C</i> <sub>1</sub>-symmetric four-coordinate cobalt complexes: <i>D</i> <sub>4</sub>.","Chemical science","2026","17","1","492","499","10.1039/d5sc06683b","","","1.34139","GaKα","","0.0374","0.0345","","","0.0874","0.0888","","","","","","1.054","","","","has coordinates,has disorder","304876","2026-03-05","12:23:20",""
"1576165","12.19","0.0009","12.9109","0.001","16.9559","0.0012","95.359","0.004","91.044","0.003","92.146","0.003","2654.4","0.3","170","","170","","","","","","","","","6","P 1","P 1","1","","","","- C29 H35 Cl Co N3 O -","- C29 H35 Cl Co N3 O -","- C116 H140 Cl4 Co4 N12 O4 -","4","4","","Zheng, Chenggong; Liu, Jiyong; Wang, Yongtao; Li, Haoran; Wang, Yuwen; Lu, Zhan","The structural parameter of spin states of <i>C</i> <sub>1</sub>-symmetric four-coordinate cobalt complexes: <i>D</i> <sub>4</sub>.","Chemical science","2026","17","1","492","499","10.1039/d5sc06683b","","","1.34139","GaKα","","0.0396","0.0354","","","0.089","0.0912","","","","","","1.079","","","","has coordinates","304876","2026-03-05","12:23:20",""
"1576166","15.7505","0.0011","18.8119","0.0013","20.1927","0.0015","90","","90","","90","","5983","0.7","170","","170","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H38 Cl2 Co N4 -","- C31 H38 Cl2 Co N4 -","- C248 H304 Cl16 Co8 N32 -","8","2","","Zheng, Chenggong; Liu, Jiyong; Wang, Yongtao; Li, Haoran; Wang, Yuwen; Lu, Zhan","The structural parameter of spin states of <i>C</i> <sub>1</sub>-symmetric four-coordinate cobalt complexes: <i>D</i> <sub>4</sub>.","Chemical science","2026","17","1","492","499","10.1039/d5sc06683b","","","1.34139","GaKα","","0.1057","0.0652","","","0.159","0.1834","","","","","","1.035","","","","has coordinates","304876","2026-03-05","12:23:20",""
"1576167","8.0536","0.0002","5.2646","0.0001","16.5289","0.0003","90","","94.986","0.002","90","","698.16","0.03","113","2","113.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H15 N O3 S -","- C15 H15 N O3 S -","- C30 H30 N2 O6 S2 -","2","1","","Zheng, Chenggong; Liu, Jiyong; Wang, Yongtao; Li, Haoran; Wang, Yuwen; Lu, Zhan","The structural parameter of spin states of <i>C</i> <sub>1</sub>-symmetric four-coordinate cobalt complexes: <i>D</i> <sub>4</sub>.","Chemical science","2026","17","1","492","499","10.1039/d5sc06683b","","x-ray","0.71073","MoKα","","0.0377","0.0367","","","0.0924","0.0935","","","","","","1.036","","","","has coordinates","304876","2026-03-05","12:23:20",""
"1576168","13.5345","0.0007","10.737","0.0005","17.4919","0.0009","90","","100.729","0.002","90","","2497.5","0.2","170","","170","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C46 H70 Cl4 Co2 N6 O4 -","- C38 H54 Cl4 Co2 N6 O2 -","- C76 H108 Cl8 Co4 N12 O4 -","2","1","","Zheng, Chenggong; Liu, Jiyong; Wang, Yongtao; Li, Haoran; Wang, Yuwen; Lu, Zhan","The structural parameter of spin states of <i>C</i> <sub>1</sub>-symmetric four-coordinate cobalt complexes: <i>D</i> <sub>4</sub>.","Chemical science","2026","17","1","492","499","10.1039/d5sc06683b","","","1.34138","GaKα","","0.0487","0.0363","","","0.0911","0.0958","","","","","","1.079","","","","has coordinates","304876","2026-03-05","12:23:20",""
"1576169","17.3643","0.0002","21.3942","0.0002","15.459","0.0002","90","","93.77","0.001","90","","5730.52","0.11","100","0.1","100","0.1","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C39 H57 Cl3 F6 Fe2 N2 O14 S2 Si4 -","- C39 H57 Cl3 F6 Fe2 N2 O14 S2 Si4 -","- C156 H228 Cl12 F24 Fe8 N8 O56 S8 Si16 -","4","1","","Zheng, Chenggong; Liu, Jiyong; Wang, Yongtao; Li, Haoran; Wang, Yuwen; Lu, Zhan","The structural parameter of spin states of <i>C</i> <sub>1</sub>-symmetric four-coordinate cobalt complexes: <i>D</i> <sub>4</sub>.","Chemical science","2026","17","1","492","499","10.1039/d5sc06683b","","x-ray","1.54184","CuKα","","0.0519","0.0443","","","0.1179","0.123","","","","","","1.047","","","","has coordinates,has disorder","304876","2026-03-05","12:23:20",""
"1576170","9.3878","0.0004","11.3926","0.0005","12.0509","0.0005","90","","102.847","0.002","90","","1256.6","0.09","170","","170","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H36 Co N3 O -","- C26 H36 Co N3 O -","- C52 H72 Co2 N6 O2 -","2","1","","Zheng, Chenggong; Liu, Jiyong; Wang, Yongtao; Li, Haoran; Wang, Yuwen; Lu, Zhan","The structural parameter of spin states of <i>C</i> <sub>1</sub>-symmetric four-coordinate cobalt complexes: <i>D</i> <sub>4</sub>.","Chemical science","2026","17","1","492","499","10.1039/d5sc06683b","","","1.34139","GaKα","","0.0468","0.0437","","","0.0857","0.0868","","","","","","1.007","","","","has coordinates","304876","2026-03-05","12:23:20",""
"1576171","24.2715","0.001","6.0591","0.0003","13.7733","0.0006","90","","108.095","0.002","90","","1925.37","0.15","170","","170","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C20 H30 Co N3 O -","- C20 H30 Co N3 O -","- C80 H120 Co4 N12 O4 -","4","1","","Zheng, Chenggong; Liu, Jiyong; Wang, Yongtao; Li, Haoran; Wang, Yuwen; Lu, Zhan","The structural parameter of spin states of <i>C</i> <sub>1</sub>-symmetric four-coordinate cobalt complexes: <i>D</i> <sub>4</sub>.","Chemical science","2026","17","1","492","499","10.1039/d5sc06683b","","","1.34139","GaKα","","0.0331","0.0313","","","0.0706","0.0712","","","","","","1.033","","","","has coordinates","304876","2026-03-05","12:23:20",""
"1576172","10.3786","0.0004","12.1026","0.0004","12.7904","0.0005","90","","106.534","0.001","90","","1540.15","0.1","170","","170","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C35 H40 Cl Co N4 -","- C35 H40 Cl Co N4 -","- C70 H80 Cl2 Co2 N8 -","2","1","","Zheng, Chenggong; Liu, Jiyong; Wang, Yongtao; Li, Haoran; Wang, Yuwen; Lu, Zhan","The structural parameter of spin states of <i>C</i> <sub>1</sub>-symmetric four-coordinate cobalt complexes: <i>D</i> <sub>4</sub>.","Chemical science","2026","17","1","492","499","10.1039/d5sc06683b","","x-ray","1.34139","GaKα","","0.0301","0.0268","","","0.0617","0.0625","","","","","","1.001","","","","has coordinates","304876","2026-03-05","12:23:20",""
"1576173","16.9108","0.0016","9.8083","0.0008","15.5403","0.0014","90","","97.61","0.004","90","","2554.9","0.4","170","","170","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H33 Cl2 Co N3 O -","- C25 H33 Cl2 Co N3 O -","- C100 H132 Cl8 Co4 N12 O4 -","4","2","","Zheng, Chenggong; Liu, Jiyong; Wang, Yongtao; Li, Haoran; Wang, Yuwen; Lu, Zhan","The structural parameter of spin states of <i>C</i> <sub>1</sub>-symmetric four-coordinate cobalt complexes: <i>D</i> <sub>4</sub>.","Chemical science","2026","17","1","492","499","10.1039/d5sc06683b","","","1.34139","GaKα","","0.1351","0.0756","","","0.1492","0.173","","","","","","1.034","","","","has coordinates","304876","2026-03-05","12:23:20",""
"1576185","11.4849","0.001","14.1923","0.001","16.0109","0.0011","66.987","0.002","69.582","0.002","75.458","0.002","2231.1","0.3","193","","193","","","","","","","","","6","P -1","-P 1","2","","","","- C111 H112 B2 N4 P2 S2 -","- C111 H112 B2 N4 P2 S2 -","- C111 H112 B2 N4 P2 S2 -","1","0.5","","Hong, Xian-Fang; Wei, Yi; Xing, Hao-Ran; Wang, Yu; Xi, Jia-Qi; Wu, Chen-Yang; Yuan, Li; Li, Cheng-Hui; Zheng, You-Xuan","Phenphosphine-X(O, S, Se) locking multi-resonance thermally activated delayed fluorescence materials.","Chemical science","2026","17","1","274","282","10.1039/d5sc06565h","","","1.34139","GaKα","","0.0993","0.0657","","","0.1672","0.1925","","","","","","1.05","","","","has coordinates,has disorder","304878","2026-03-05","12:23:54",""
"1576186","10.7415","0.0019","13.639","0.003","16.481","0.003","92.727","0.005","97.742","0.005","99.273","0.005","2355.3","0.8","193","","193","","","","","","","","","6","P -1","-P 1","2","","","","- C59 H60 B N2 O P -","- C52 H52 B N2 O P -","- C104 H104 B2 N4 O2 P2 -","2","1","","Hong, Xian-Fang; Wei, Yi; Xing, Hao-Ran; Wang, Yu; Xi, Jia-Qi; Wu, Chen-Yang; Yuan, Li; Li, Cheng-Hui; Zheng, You-Xuan","Phenphosphine-X(O, S, Se) locking multi-resonance thermally activated delayed fluorescence materials.","Chemical science","2026","17","1","274","282","10.1039/d5sc06565h","","","0.71073","MoKα","","0.1995","0.1191","","","0.2822","0.3333","","","","","","1.035","","","","has coordinates,has disorder","304878","2026-03-05","12:23:54",""
"1576187","11.912","0.003","19.904","0.004","21.598","0.004","105.673","0.006","93.452","0.007","106.204","0.007","4683.4","1.8","193","","193","","","","","","","","","7","P -1","-P 1","2","","","","- C212 H216 B4 Cl8 N8 P4 Se4 -","- C208 H208 B4 N8 P4 Se4 -","- C208 H208 B4 N8 P4 Se4 -","1","0.5","","Hong, Xian-Fang; Wei, Yi; Xing, Hao-Ran; Wang, Yu; Xi, Jia-Qi; Wu, Chen-Yang; Yuan, Li; Li, Cheng-Hui; Zheng, You-Xuan","Phenphosphine-X(O, S, Se) locking multi-resonance thermally activated delayed fluorescence materials.","Chemical science","2026","17","1","274","282","10.1039/d5sc06565h","","","0.71073","MoKα","","0.1784","0.1039","","","0.2653","0.3255","","","","","","1.031","","","","has coordinates","304878","2026-03-05","12:23:54",""
"1576192","14.0473","0.0006","15.0466","0.0006","19.4211","0.0008","90","","90","","90","","4104.9","0.3","190","","190","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C50 H34 N4 O8 P2 -","- C50 H34 N4 O8 P2 -","- C200 H136 N16 O32 P8 -","4","1","","Liu, Wenqi; Ling, Zhijie; Liu, Yang-Zi; Deng, Wei-Ping","Catalytic asymmetric construction of remote P or other heteroatom (Si/S) stereogenic axially chiral scaffolds.","Chemical science","2026","17","1","240","246","10.1039/d5sc08143b","","","1.54178","CuKα","","0.0741","0.0575","","","0.133","0.148","","","","","","1.029","","","","has coordinates","304868","2026-03-05","12:19:15",""
"1576193","16.097","0.006","8.807","0.002","25.224","0.007","90","","109.127","0.01","90","","3378.5","1.8","190","","190","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C39 H30 Cl N2 O2 P2 -","- C39 H30 Cl N2 O2 P2 -","- C156 H120 Cl4 N8 O8 P8 -","4","1","","Liu, Wenqi; Ling, Zhijie; Liu, Yang-Zi; Deng, Wei-Ping","Catalytic asymmetric construction of remote P or other heteroatom (Si/S) stereogenic axially chiral scaffolds.","Chemical science","2026","17","1","240","246","10.1039/d5sc08143b","","","0.71073","MoKα","","0.0488","0.0433","","","0.1057","0.1102","","","","","","1.04","","","","has coordinates","304868","2026-03-05","12:19:15",""
"1576195","11.205","0.002","8.3911","0.0018","37.457","0.008","90","","90","","90","","3521.8","1.2","150","","150","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C19 H13 Br N2 O3 Se -","- C19 H13 Br N2 O3 Se -","- C152 H104 Br8 N16 O24 Se8 -","8","1","","Zhou, Wei; Wang, Yan; Zhang, Shuning; Zhang, Chengwei; Pang, Jiacheng; Hou, Shaoneng; Li, Jie; Yao, Ying; Su, An; Ma, Peixiang; Xu, Hongtao; Hou, Wei","Highly selective and AI-predictable Se-N exchange chemistry between benzoselenazolones and boronic acids for programmable, parallel, and DNA-encoded library synthesis.","Chemical science","2026","17","1","225","239","10.1039/d5sc05512a","","","1.34139","GaKα","","0.0703","0.0691","","","0.1885","0.189","","","","","","1.308","","","","has coordinates","304877","2026-03-05","12:23:34",""
"1576196","7.3114","0.0003","10.4814","0.0005","16.3409","0.0007","105.447","0.002","92.784","0.002","97.477","0.002","1192.22","0.09","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H25 N3 O4 Pd -","- C28 H25 N3 O4 Pd -","- C56 H50 N6 O8 Pd2 -","2","1","","Schomberg-Sanchez, Isaac S; Robinson, William C.; Sanderson, Makayla E.; Mosquera, Martín A; Lemon, Christopher M.","Hangman dipyrrin complexes.","Chemical science","2026","17","1","602","616","10.1039/d5sc06893b","","x-ray","0.71073","MoKα","K-L~3~","0.0426","0.0372","","","0.0853","0.0887","","","","","","1.108","","","","has coordinates","304871","2026-03-05","12:21:18",""
"1576197","21.5097","0.0009","21.5097","0.0009","15.9157","0.0011","90","","90","","90","","7363.7","0.7","100","","100","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C44 H32 N6 O4 Zn -","- C44 H32 N6 O4 Zn -","- C352 H256 N48 O32 Zn8 -","8","0.5","","Schomberg-Sanchez, Isaac S; Robinson, William C.; Sanderson, Makayla E.; Mosquera, Martín A; Lemon, Christopher M.","Hangman dipyrrin complexes.","Chemical science","2026","17","1","602","616","10.1039/d5sc06893b","","x-ray","0.71073","MoKα","K-L~3~","0.0594","0.0429","","","0.1061","0.1166","","","","","","1.073","","","","has coordinates,has disorder","304871","2026-03-05","12:21:18",""
"1576198","38.9049","0.0011","5.6739","0.0002","24.1051","0.0006","90","","126.913","0.001","90","","4254.4","0.2","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H44 N6 O6 Pd S2 -","- C48 H44 N6 O6 Pd S2 -","- C192 H176 N24 O24 Pd4 S8 -","4","0.5","","Schomberg-Sanchez, Isaac S; Robinson, William C.; Sanderson, Makayla E.; Mosquera, Martín A; Lemon, Christopher M.","Hangman dipyrrin complexes.","Chemical science","2026","17","1","602","616","10.1039/d5sc06893b","","x-ray","0.71073","MoKα","K-L~3~","0.0519","0.0329","","","0.0619","0.0685","","","","","","1.03","","","","has coordinates,has disorder","304871","2026-03-05","12:21:18",""
"1576199","7.0141","0.0007","17.2303","0.0016","20.2314","0.0017","90","","97.876","0.003","90","","2422","0.4","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H25 N3 O4 Pd -","- C28 H25 N3 O4 Pd -","- C112 H100 N12 O16 Pd4 -","4","1","","Schomberg-Sanchez, Isaac S; Robinson, William C.; Sanderson, Makayla E.; Mosquera, Martín A; Lemon, Christopher M.","Hangman dipyrrin complexes.","Chemical science","2026","17","1","602","616","10.1039/d5sc06893b","","x-ray","0.71073","MoKα","K-L~3~","0.0466","0.0378","","","0.0651","0.0689","","","","","","1.242","","","","has coordinates","304871","2026-03-05","12:21:18",""
"1576200","21.7492","0.0009","21.7492","0.0009","15.5858","0.001","90","","90","","90","","7372.5","0.6","100","","100","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C46 H36 N6 O4 Zn -","- C46 H36 N6 O4 Zn -","- C368 H288 N48 O32 Zn8 -","8","0.5","","Schomberg-Sanchez, Isaac S; Robinson, William C.; Sanderson, Makayla E.; Mosquera, Martín A; Lemon, Christopher M.","Hangman dipyrrin complexes.","Chemical science","2026","17","1","602","616","10.1039/d5sc06893b","","x-ray","0.71073","MoKα","K-L~3~","0.0581","0.0426","","","0.1078","0.1189","","","","","","1.091","","","","has coordinates","304871","2026-03-05","12:21:18",""
"1576201","23.5997","0.0004","23.5997","0.0004","23.5997","0.0004","90","","90","","90","","13143.8","0.4","100","","100","","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C69 H54 Co N9 O6 -","- C69 H54.0009 Co N9 O6 -","- C552 H432.007 Co8 N72 O48 -","8","0.333333","","Schomberg-Sanchez, Isaac S; Robinson, William C.; Sanderson, Makayla E.; Mosquera, Martín A; Lemon, Christopher M.","Hangman dipyrrin complexes.","Chemical science","2026","17","1","602","616","10.1039/d5sc06893b","","x-ray","0.71073","MoKα","K-L~3~","0.0605","0.05","","","0.1288","0.1376","","","","","","1.073","","","","has coordinates,has disorder","304871","2026-03-05","12:21:18",""
"1576202","9.9121","0.0005","23.2605","0.0011","21.4065","0.0011","90","","93.563","0.001","90","","4926","0.4","200","1","200","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C47 H72 Cs F N O8 P -","- C47 H72 Cs F N O8 P -","- C188 H288 Cs4 F4 N4 O32 P4 -","4","1","","Escoudé, Emile; Pedrón, Manuel; Bourqui, Lilian; Gontard, Geoffrey; Vitale, Maxime R.; Ciofini, Ilaria; Lakhdar, Sami; Grimaud, Laurence","Photochemical activation of pincer-ligated phosphoranides: mechanistic insight for reduction of aryl halides.","Chemical science","2026","17","1","579","584","10.1039/d5sc06960b","","","0.71073","MoKα","","0.0565","0.0444","","","0.0924","0.0967","","","","","","1.112","","","","has coordinates,has disorder","304873","2026-03-05","12:22:03",""
"1576203","12.0403","0.0002","12.4082","0.0002","14.2936","0.0003","102.973","0.001","98.828","0.001","106.389","0.001","1941.96","0.06","200","1","200","1","","","","","","","","5","P -1","-P 1","2","","","","- C43 H52 N O2 P -","- C43 H52 N O2 P -","- C86 H104 N2 O4 P2 -","2","1","","Escoudé, Emile; Pedrón, Manuel; Bourqui, Lilian; Gontard, Geoffrey; Vitale, Maxime R.; Ciofini, Ilaria; Lakhdar, Sami; Grimaud, Laurence","Photochemical activation of pincer-ligated phosphoranides: mechanistic insight for reduction of aryl halides.","Chemical science","2026","17","1","579","584","10.1039/d5sc06960b","","x-ray","1.54178","CuKα","","0.0555","0.0511","","","0.139","0.1442","","","","","","1.024","","","","has coordinates,has disorder","304873","2026-03-05","12:22:03",""
"1576204","12.6836","0.0009","44.721","0.003","11.8935","0.0008","90","","98.973","0.001","90","","6663.7","0.8","200","2","200","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C72 H90 N2 O4 P2 -","- C72 H90 N2 O4 P2 -","- C288 H360 N8 O16 P8 -","4","1","","Escoudé, Emile; Pedrón, Manuel; Bourqui, Lilian; Gontard, Geoffrey; Vitale, Maxime R.; Ciofini, Ilaria; Lakhdar, Sami; Grimaud, Laurence","Photochemical activation of pincer-ligated phosphoranides: mechanistic insight for reduction of aryl halides.","Chemical science","2026","17","1","579","584","10.1039/d5sc06960b","","x-ray","0.71073","MoKα","","0.111","0.0789","","","0.1378","0.1487","","","","","","1.192","","","","has coordinates,has disorder","304873","2026-03-05","12:22:03",""
"1576205","9.2969","0.0001","15.9116","0.0002","18.7341","0.0003","79.756","0.001","79.904","0.001","79.803","0.001","2654.3","0.06","200","1","200","1","","","","","","","","6","P -1","-P 1","2","","","","- C52 H83 K N O8 P -","- C52 H83 K N O8 P -","- C104 H166 K2 N2 O16 P2 -","2","1","","Escoudé, Emile; Pedrón, Manuel; Bourqui, Lilian; Gontard, Geoffrey; Vitale, Maxime R.; Ciofini, Ilaria; Lakhdar, Sami; Grimaud, Laurence","Photochemical activation of pincer-ligated phosphoranides: mechanistic insight for reduction of aryl halides.","Chemical science","2026","17","1","579","584","10.1039/d5sc06960b","","","1.54178","CuKα","","0.0433","0.0398","","","0.1074","0.1107","","","","","","1.049","","","","has coordinates,has disorder","304873","2026-03-05","12:22:03",""
"1576206","14.5374","0.0004","21.5756","0.0006","19.1473","0.0005","90","","96.87","0.002","90","","5962.5","0.3","200","1","200","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H89 K N O10 P -","- C56 H89 K N O10 P -","- C224 H356 K4 N4 O40 P4 -","4","1","","Escoudé, Emile; Pedrón, Manuel; Bourqui, Lilian; Gontard, Geoffrey; Vitale, Maxime R.; Ciofini, Ilaria; Lakhdar, Sami; Grimaud, Laurence","Photochemical activation of pincer-ligated phosphoranides: mechanistic insight for reduction of aryl halides.","Chemical science","2026","17","1","579","584","10.1039/d5sc06960b","","x-ray","1.54178","CuKα","","0.0687","0.0474","","","0.1221","0.1354","","","","","","1.018","","","","has coordinates,has disorder","304873","2026-03-05","12:22:03",""
"1576207","10.5896","0.0004","15.6048","0.0005","22.7972","0.0007","90","","90.184","0.002","90","","3767.2","0.2","200","1","200","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41.25 H51.75 F0.75 N O2 P -","- C41.25 H51.75 F0.75 N O2 P -","- C165 H207 F3 N4 O8 P4 -","4","1","","Escoudé, Emile; Pedrón, Manuel; Bourqui, Lilian; Gontard, Geoffrey; Vitale, Maxime R.; Ciofini, Ilaria; Lakhdar, Sami; Grimaud, Laurence","Photochemical activation of pincer-ligated phosphoranides: mechanistic insight for reduction of aryl halides.","Chemical science","2026","17","1","579","584","10.1039/d5sc06960b","","x-ray","0.71073","MoKα","","0.112","0.0768","","","0.1674","0.1835","","","","","","1.089","","","","has coordinates,has disorder","304873","2026-03-05","12:22:03",""
"1576208","14.5273","0.0002","16.7003","0.0002","17.1757","0.0002","118.647","0.001","101.045","0.001","96.322","0.001","3489.12","0.09","200","1","200","1","","","","","","","","6","P -1","-P 1","2","","","","- C78 H95 F N2 O4 P2 -","- C78 H95 F N2 O4 P2 -","- C156 H190 F2 N4 O8 P4 -","2","1","","Escoudé, Emile; Pedrón, Manuel; Bourqui, Lilian; Gontard, Geoffrey; Vitale, Maxime R.; Ciofini, Ilaria; Lakhdar, Sami; Grimaud, Laurence","Photochemical activation of pincer-ligated phosphoranides: mechanistic insight for reduction of aryl halides.","Chemical science","2026","17","1","579","584","10.1039/d5sc06960b","","x-ray","1.54178","CuKα","","0.0496","0.0421","","","0.1101","0.1164","","","","","","1.028","","","","has coordinates,has disorder","304873","2026-03-05","12:22:03",""
"1576209","12.2271","0.0004","19.3733","0.0008","19.2094","0.0008","90","","96.632","0.003","90","","4519.9","0.3","200","1","200","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C86 H128 Li4 N4 O7 P2 -","- C86 H128 Li4 N4 O7 P2 -","- C172 H256 Li8 N8 O14 P4 -","2","0.5","","Escoudé, Emile; Pedrón, Manuel; Bourqui, Lilian; Gontard, Geoffrey; Vitale, Maxime R.; Ciofini, Ilaria; Lakhdar, Sami; Grimaud, Laurence","Photochemical activation of pincer-ligated phosphoranides: mechanistic insight for reduction of aryl halides.","Chemical science","2026","17","1","579","584","10.1039/d5sc06960b","","","1.54178","CuKα","","0.1594","0.1013","","","0.2819","0.3322","","","","","","1.09","","","","has coordinates","304873","2026-03-05","12:22:03",""
"1576215","23.408","0.0001","23.7025","0.0002","26.6242","0.0002","82.849","0.001","70.891","0.001","61.18","0.001","12219.1","0.2","120","0.2","120","0.2","","","","","","","","7","P -1","-P 1","2","","","","- C76 H117 Co2 N3 O32 P6 Ti6 -","- C76 H119 Co2 N3 O32 P6 Ti6 -","- C380 H595 Co10 N15 O160 P30 Ti30 -","5","2.5","","Zhang, Shiming; Zhao, Guoxiang; Yan, Yayu; Li, Qiao-Hong; Zhang, Hai-Xia; Wu, Xin; Zhang, Jian","A bioinspired polyoxo-titanium cluster for efficient photocatalytic CO<sub>2</sub> reduction assisted by hydrogen bonding.","Materials horizons","2026","13","3","1313","1319","10.1039/d5mh01657f","","x-ray","1.3405","GaKα","","0.0757","0.0609","","","0.1558","0.1649","","","","","","1.046","","","","has coordinates,has disorder","304964","2026-03-05","13:14:56",""
"1576216","11.33","0.0001","12.8285","0.0002","19.9795","0.0002","93.765","0.001","104.804","0.001","96.71","0.001","2774.5","0.06","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C88 H146 N2 O36 P6 Ti8 -","- C88 H146 N2 O36 P6 Ti8 -","- C88 H146 N2 O36 P6 Ti8 -","1","0.5","","Zhang, Shiming; Zhao, Guoxiang; Yan, Yayu; Li, Qiao-Hong; Zhang, Hai-Xia; Wu, Xin; Zhang, Jian","A bioinspired polyoxo-titanium cluster for efficient photocatalytic CO<sub>2</sub> reduction assisted by hydrogen bonding.","Materials horizons","2026","13","3","1313","1319","10.1039/d5mh01657f","","x-ray","1.54184","CuKα","","0.0314","0.0303","","","0.0853","0.0859","","","","","","1.077","","","","has coordinates,has disorder","304964","2026-03-05","13:14:56",""
"1576217","15.5362","0.0003","16.5431","0.0003","20.2811","0.0003","99.423","0.001","106.406","0.002","100.218","0.002","4793.16","0.16","100","0.2","100","0.2","","","","","","","","7","P -1","-P 1","2","","","","- C76 H118 Co2 N2 O32 P6 Ti6 -","- C76 H118 Co2 N2 O32 P6 Ti6 -","- C152 H236 Co4 N4 O64 P12 Ti12 -","2","1","","Zhang, Shiming; Zhao, Guoxiang; Yan, Yayu; Li, Qiao-Hong; Zhang, Hai-Xia; Wu, Xin; Zhang, Jian","A bioinspired polyoxo-titanium cluster for efficient photocatalytic CO<sub>2</sub> reduction assisted by hydrogen bonding.","Materials horizons","2026","13","3","1313","1319","10.1039/d5mh01657f","","x-ray","1.3405","GaKα","","0.0808","0.0688","","","0.1755","0.1817","","","","","","1.079","","","","has coordinates,has disorder","304964","2026-03-05","13:14:56",""
"1576219","10.305","0.0003","11.2133","0.0003","20.326","0.0006","87.874","0.001","82.5","0.001","68.349","0.001","2164.19","0.11","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C22 H26 Cl Fe N2 O5 -","- C22 H26 Cl Fe N2 O5 -","- C88 H104 Cl4 Fe4 N8 O20 -","4","2","","Usman, Mohammad; Hussein, Mohamed A.T.; Kandiel, Tarek A.; Yamani, Zain H.; Shaikh, M. Nasiruzzaman","Catalytic ammonia oxidation mediated by high-spin Fe(iii) complex: combined experimental and DFT study","Catalysis Science & Technology","2026","16","1","124","136","10.1039/D5CY01107H","","x-ray","0.71073","MoKα","","0.0715","0.0609","","","0.1223","0.1267","","","","","","1.137","","","","has coordinates","304860","2026-03-05","12:09:45",""
"1576226","17.9924","0.0006","11.0902","0.0004","15.8252","0.0006","90","","100.242","0.001","90","","3107.43","0.19","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H14 F4 N O2 P -","- C16 H14 F4 N O2 P -","- C128 H112 F32 N8 O16 P8 -","8","1","","Pan, Ailin; Rotella, Madeline E.; Meng, Yamiao; Tian, Xun; Duan, Shengzu; Jiang, Yonggang; Deng, Guogang; Limburg, Bart; Zhang, Hongbin; Kozlowski, Marisa C.; Walsh, Patrick J.; Yang, Xiaodong","1,2-Hydrogen atom transfer of aminyl radicals under photoredox catalysis for the synthesis of α-amino phosphine oxides.","Chemical science","2026","17","1","412","420","10.1039/d5sc00268k","","x-ray","0.71073","MoKα","","0.0461","0.0404","","","0.0998","0.1036","","","","","","1.041","","","","has coordinates","304874","2026-03-05","12:22:13",""
"1576233","11.4773","0.0004","15.0019","0.0007","17.379","0.0007","111.95","0.001","96.586","0.002","109.074","0.001","2525.49","0.18","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C55 H12 Ag B2 F36 N -","- C55 H12 Ag B2 F36 N -","- C110 H24 Ag2 B4 F72 N2 -","2","1","","Berg, Willi R.; Moshtaha, Amina L.; Sievers, Robin; Reimann, Marc; Streit, Tim-Niclas; Rupf, Susanne M.; Kaupp, Martin; Malischewski, Moritz","A facile route to 'naked' Ag<sup>+</sup> ions enabling the coordination of the weak Lewis base Ni(CO)<sub>4</sub>.","Chemical science","2026","17","1","406","411","10.1039/d5sc05589j","","","0.71073","MoKα","","0.0388","0.0318","","","0.0745","0.0805","","","","","","1.085","","","","has coordinates,has disorder","304875","2026-03-05","12:22:25",""
"1576234","13.288","0.0005","28.0807","0.001","13.7219","0.0004","90","","91.614","0.001","90","","5118.1","0.3","100","","100","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C43.7 H6.2 Ag B2 Cl6.2 F30 N Ni0.9 O3.6 -","- C42.7 H4.2 Ag B2 Cl4.2 F30 N Ni0.9 O3.6 -","- C170.8 H16.8 Ag4 B8 Cl16.8 F120 N4 Ni3.6 O14.4 -","4","1","","Berg, Willi R.; Moshtaha, Amina L.; Sievers, Robin; Reimann, Marc; Streit, Tim-Niclas; Rupf, Susanne M.; Kaupp, Martin; Malischewski, Moritz","A facile route to 'naked' Ag<sup>+</sup> ions enabling the coordination of the weak Lewis base Ni(CO)<sub>4</sub>.","Chemical science","2026","17","1","406","411","10.1039/d5sc05589j","","","0.71073","MoKα","","0.0595","0.0444","","","0.1064","0.1188","","","","","","1.059","","","","has coordinates,has disorder","304875","2026-03-05","12:22:26",""
"1576362","12.354","0.003","19.366","0.003","18.938","0.004","90","","98.148","0.009","90","","4485.1","1.6","150","2","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C57 H42 N6 O -","- C52 H30 N6 -","- C208 H120 N24 -","4","1","","Xia, Wen-Li; Ran, Xiaoyun; Zhao, Yu; Zhang, Hong; Zhou, Qian; Yu, Xiao-Qi; Li, Kun","Fine-Tuning J-Aggregation via Steric Hindrance for High-Efficiency NIR-II Bioimaging and Photothermal Therapy","Materials Horizons","2026","","","","","10.1039/D5MH01966D","","","0.71073","MoKα","","0.1148","0.0796","","","0.2025","0.2345","","","","","","1.019","","","","has coordinates","303996","2025-12-02","03:11:17",""
"1576363","28.97","0.006","15.428","0.003","14.241","0.002","90","","107.4","0.011","90","","6074","2","150","2","150","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C36 H26 N6 -","- C36 H26 N6 -","- C288 H208 N48 -","8","1","","Xia, Wen-Li; Ran, Xiaoyun; Zhao, Yu; Zhang, Hong; Zhou, Qian; Yu, Xiao-Qi; Li, Kun","Fine-Tuning J-Aggregation via Steric Hindrance for High-Efficiency NIR-II Bioimaging and Photothermal Therapy","Materials Horizons","2026","","","","","10.1039/D5MH01966D","","","0.71073","MoKα","","0.1185","0.0619","","","0.1362","0.161","","","","","","0.979","","","","has coordinates","303996","2025-12-02","03:11:17",""
"1576403","16.746","0.002","12.8783","0.0018","7.5195","0.0013","90","","96.248","0.016","90","","1612","0.4","296.2","0.3","296.2","0.3","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 Cl4 N Sb -","- C13 H12 Cl4 N Sb -","- C52 H48 Cl16 N4 Sb4 -","4","1","","Zhao, Yuan-Yuan; Chen, Jian-Cheng; Zhang, Li; Chen, Jiabin; Liao, Qing; Li, Zhong-Qiu; Lin, Meijin; Yao, Jiannian; Zhong, Yu-Wu","A pyridinium cation engineering strategy to achieve high-performance X-ray scintillation of antimony halides","Chemical Science","2026","","","","","10.1039/D5SC08289G","","x-ray","0.71073","MoKα","","0.1048","0.0635","","","0.1351","0.15","","","","","","1.032","","","","has coordinates","304131","2025-12-08","23:13:33",""
"1576404","6.9093","0.0002","12.2402","0.0003","16.5732","0.0004","104.076","0.002","101.79","0.002","96.385","0.002","1311.6","0.06","170","0.1","170","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C24 H22 Cl5.01 N4 O2 Sb -","- C24 H22 Cl5 N4 O2 Sb -","- C48 H44 Cl10 N8 O4 Sb2 -","2","1","","Zhao, Yuan-Yuan; Chen, Jian-Cheng; Zhang, Li; Chen, Jiabin; Liao, Qing; Li, Zhong-Qiu; Lin, Meijin; Yao, Jiannian; Zhong, Yu-Wu","A pyridinium cation engineering strategy to achieve high-performance X-ray scintillation of antimony halides","Chemical Science","2026","","","","","10.1039/D5SC08289G","","x-ray","0.71073","MoKα","","0.0206","0.0184","","","0.0449","0.0455","","","","","","1.018","","","","has coordinates","304131","2025-12-08","23:13:33",""
"1576405","17.9664","0.0004","15.6304","0.0003","16.1234","0.0003","90","","98.88","0.002","90","","4473.53","0.16","93","2","93","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C37.5 H53.74 Cl3 F3 N7.75 O3.25 Rh2 S -","- C37.478 H53.673 Cl3 F3 N7.761 O3.239 Rh2 S -","- C149.912 H214.692 Cl12 F12 N31.044 O12.956 Rh8 S4 -","4","1","","Yan, Liping; Moriyama, Takumi; Akita, Yutaro; Muratsugu, Satoshi; Tada, Mizuki; Yamashita, Makoto; Morimoto, Yuma","Low-oxidation state dirhodium complex produced by four-electron reduction of dirhodium(ii) complex supported by a flexible macrocyclic ligand","Chemical Science","2026","","","","","10.1039/D5SC07037F","","","0.71073","MoKα","","0.0555","0.0508","","","0.1198","0.1212","","","","","","1.274","","","","has coordinates,has disorder","304150","2025-12-09","23:30:17",""
"1576406","11.588","0.0003","20.6879","0.0007","27.049","0.0008","90","","102.188","0.003","90","","6338.3","0.3","93","2","93","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H64 F12 N12 O12 Rh2 S4 -","- C48 H64 F12 N12 O12 Rh2 S4 -","- C192 H256 F48 N48 O48 Rh8 S16 -","4","1","","Yan, Liping; Moriyama, Takumi; Akita, Yutaro; Muratsugu, Satoshi; Tada, Mizuki; Yamashita, Makoto; Morimoto, Yuma","Low-oxidation state dirhodium complex produced by four-electron reduction of dirhodium(ii) complex supported by a flexible macrocyclic ligand","Chemical Science","2026","","","","","10.1039/D5SC07037F","","x-ray","0.71073","MoKα","","0.0721","0.0566","","","0.1229","0.1286","","","","","","1.101","","","","has coordinates,has disorder","304150","2025-12-09","23:30:17",""
"1576407","18.9151","0.0003","10.8332","0.0002","34.3806","0.0007","90","","96.308","0.002","90","","7002.3","0.2","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H56 N6 O Rh2 -","- C36 H56 N6 O Rh2 -","- C288 H448 N48 O8 Rh16 -","8","2","","Yan, Liping; Moriyama, Takumi; Akita, Yutaro; Muratsugu, Satoshi; Tada, Mizuki; Yamashita, Makoto; Morimoto, Yuma","Low-oxidation state dirhodium complex produced by four-electron reduction of dirhodium(ii) complex supported by a flexible macrocyclic ligand","Chemical Science","2026","","","","","10.1039/D5SC07037F","","","0.71073","MoKα","","0.082","0.0741","","","0.1564","0.1602","","","","","","1.134","","","","has coordinates,has disorder","304150","2025-12-09","23:30:17",""
"1576408","9.7299","0.0004","9.942","0.0004","11.2199","0.0004","107.213","0.003","91.691","0.003","110.555","0.004","959.88","0.07","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H64 N6 O Rh2 -","- C40 H64 N6 O Rh2 -","- C40 H64 N6 O Rh2 -","1","0.5","","Yan, Liping; Moriyama, Takumi; Akita, Yutaro; Muratsugu, Satoshi; Tada, Mizuki; Yamashita, Makoto; Morimoto, Yuma","Low-oxidation state dirhodium complex produced by four-electron reduction of dirhodium(ii) complex supported by a flexible macrocyclic ligand","Chemical Science","2026","","","","","10.1039/D5SC07037F","","","0.71073","MoKα","","0.0615","0.0466","","","0.1161","0.1236","","","","","","1.05","","","","has coordinates,has disorder","304150","2025-12-09","23:30:17",""
"1576410","5.7988","0.0003","5.7988","0.0003","11.5416","0.001","90","","90","","120","","336.1","0.04","273","2","273","2","","","","","","","","4","P 63 m c","P 6c -2c","186","","","","- K0.67 O4 Sc0.67 Te1.33 -","- K0.666667 O4 Sc0.666667 Te1.33333 -","- K2 O12 Sc2 Te4 -","3","0.25","","Wang, Xiaoxu; Zhang, Tinghui; Zhao, Huijian; Jia, Ning; Liu, Hongjun; Ye, Ning; Hu, Zhanggui; Li, Conggang","Tailoring ordered structures with distorted [TeO3] and aligned [ScO6] motifs for balanced nonlinear optical properties in rare-earth tellurate crystals","Chemical Science","2026","","","","","10.1039/D5SC07486J","","","0.71073","MoKα","","0.0253","0.0202","","","0.0451","0.047","","","","","","1.044","","","","has coordinates","304169","2025-12-10","23:23:37",""
"1576411","5.8371","0.0003","5.8371","0.0003","11.7832","0.0013","90","","90","","120","","347.69","0.05","273","2","273","2","","","","","","","","5","P 63 m c","P 6c -2c","186","","","","- O4 P0 Rb0.67 Sc0.67 Te1.33 -","- O4 Rb0.666667 Sc0.666667 Te1.33333 -","- O12 Rb2 Sc2 Te4 -","3","0.25","","Wang, Xiaoxu; Zhang, Tinghui; Zhao, Huijian; Jia, Ning; Liu, Hongjun; Ye, Ning; Hu, Zhanggui; Li, Conggang","Tailoring ordered structures with distorted [TeO3] and aligned [ScO6] motifs for balanced nonlinear optical properties in rare-earth tellurate crystals","Chemical Science","2026","","","","","10.1039/D5SC07486J","","","0.71073","MoKα","","0.0152","0.0135","","","0.0354","0.0359","","","","","","1.203","","","","has coordinates","304169","2025-12-10","23:23:37",""
"1576412","18.9883","0.0017","4.9718","0.0004","10.9031","0.001","90","","103.906","0.004","90","","999.15","0.15","173","2","173.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H18 N4 O2 -","- C26 H18 N4 O2 -","- C52 H36 N8 O4 -","2","0.5","","Parbin, Minaz; Sivalingam, Vellaiyadevan; Venkatachalam, Ramkumar; Chand, Dillip Kumar","Conformational Adaptability Enabled Higher-Order Self-Sorting Processes in Coordination Cages","Chemical Science","2026","","","","","10.1039/D5SC05568G","","","0.71073","MoKα","","0.0558","0.0515","","","0.1585","0.1624","","","","","","1.0545","","","","has coordinates,has disorder","304178","2025-12-11","23:29:41",""
"1576413","35.3355","0.0018","21.0797","0.001","12.7746","0.0007","90","","90","","90","","9515.3","0.8","110","2","110","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C96 H90 N22 O22 Pd2 -","- C86 H65 N17 O17 Pd2 -","- C344 H260 N68 O68 Pd8 -","4","0.5","","Parbin, Minaz; Sivalingam, Vellaiyadevan; Venkatachalam, Ramkumar; Chand, Dillip Kumar","Conformational Adaptability Enabled Higher-Order Self-Sorting Processes in Coordination Cages","Chemical Science","2026","","","","","10.1039/D5SC05568G","","","0.71073","MoKα","","0.0818","0.0778","","","0.2019","0.2052","","","","","","1.1689","","","","has coordinates,has disorder","304178","2025-12-11","23:29:41",""
"1576414","22.5648","0.0007","12.5886","0.0004","43.6132","0.0014","90","","94.89","0.001","90","","12343.6","0.7","150","2","150","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C126 H137 B2 F8 N15 O14 Pd2 S6 -","- C100 H84 B2 F8 N12 O8 Pd2 S4 -","- C400 H336 B8 F32 N48 O32 Pd8 S16 -","4","0.5","","Parbin, Minaz; Sivalingam, Vellaiyadevan; Venkatachalam, Ramkumar; Chand, Dillip Kumar","Conformational Adaptability Enabled Higher-Order Self-Sorting Processes in Coordination Cages","Chemical Science","2026","","","","","10.1039/D5SC05568G","","","0.71073","MoKα","","0.1263","0.0978","","","0.2556","0.2906","","","","","","1.052","","","","has coordinates,has disorder","304178","2025-12-11","23:29:41",""
"1576415","37.422","0.005","19.921","0.003","12.7873","0.0018","90","","90","","90","","9533","2","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C108 H106 N13 O12 Pd2 S3 -","- C86 H69 N13 O9 Pd2 S -","- C344 H276 N52 O36 Pd8 S4 -","4","0.5","","Parbin, Minaz; Sivalingam, Vellaiyadevan; Venkatachalam, Ramkumar; Chand, Dillip Kumar","Conformational Adaptability Enabled Higher-Order Self-Sorting Processes in Coordination Cages","Chemical Science","2026","","","","","10.1039/D5SC05568G","","","0.71073","MoKα","","0.0867","0.0687","","","0.1866","0.2039","","","","","","1.137","","","","has coordinates","304178","2025-12-11","23:29:41",""
"1576416","8.6194","0.0003","14.7562","0.0005","19.1239","0.0007","98.4574","0.0015","100.39","0.0016","97.2586","0.0015","2337.06","0.14","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C45 H38 Cl2 F6 N2 O16 Pd2 -","- C45 H38 Cl2 F6 N2 O16 Pd2 -","- C90 H76 Cl4 F12 N4 O32 Pd4 -","2","1","","Qiu, Qianfeng; Usuba, Junichi; Koay, Wai Lean; Oppenheimer, Vincent Conrad; Wu, Man Wai; Zheng, Shao-Liang; Truong, Vinh Xuan; Han, Grace G. D.","Visible Photon Energy Storage by [2+2] Cycloaddition of Pd-Oxazolones","Chemical Science","2026","","","","","10.1039/D5SC07833D","","","0.71073","MoKα","","0.0335","0.027","","","0.0529","0.0559","","","","","","1.086","","","","has coordinates","304179","2025-12-11","23:32:54",""
"1576417","9.745","0.002","10.958","0.003","12.73","0.003","90","","98.973","0.005","90","","1342.7","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H17 Cl2 N Ru -","- C12 H17 Cl2 N Ru -","- C48 H68 Cl8 N4 Ru4 -","4","1","","Lapa, Hugo M.; del Rosso, Mattia; Zacchini, Stefano; Giarola, Greta; Alegria, Elisabete C. B. A.; Trzeciak, Anna M.; Marchetti, Fabio; Martins, Luísa M. D. R. S.; Biancalana, Lorenzo","Controlling alkyne dimerization and trimerization with ruthenium(ii) arene isocyanide catalysts","Catalysis Science & Technology","2026","16","5","1622","1653","10.1039/D5CY01493J","","","0.71073","MoKα","","0.0836","0.0692","","","0.1599","0.1681","","","","","","1.2","","","","has coordinates,has disorder","305277","2026-04-05","11:33:38",""
"1576418","10.3192","0.0014","12.9409","0.0018","18.335","0.002","71.028","0.004","89.935","0.004","78.471","0.003","2263.3","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H22 Cl5 N O Ru -","- C19 H22 Cl5 N O Ru -","- C76 H88 Cl20 N4 O4 Ru4 -","4","2","","Lapa, Hugo M.; del Rosso, Mattia; Zacchini, Stefano; Giarola, Greta; Alegria, Elisabete C. B. A.; Trzeciak, Anna M.; Marchetti, Fabio; Martins, Luísa M. D. R. S.; Biancalana, Lorenzo","Controlling alkyne dimerization and trimerization with ruthenium(ii) arene isocyanide catalysts","Catalysis Science & Technology","2026","16","5","1622","1653","10.1039/D5CY01493J","","","0.71073","MoKα","","0.0803","0.0669","","","0.162","0.1665","","","","","","1.216","","","","has coordinates","305277","2026-04-05","11:33:38",""
"1576419","8.2888","0.0009","12.657","0.0013","23.549","0.003","90","","98.116","0.004","90","","2445.8","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H32 Cl N Ru -","- C29 H32 Cl N Ru -","- C116 H128 Cl4 N4 Ru4 -","4","1","","Lapa, Hugo M.; del Rosso, Mattia; Zacchini, Stefano; Giarola, Greta; Alegria, Elisabete C. B. A.; Trzeciak, Anna M.; Marchetti, Fabio; Martins, Luísa M. D. R. S.; Biancalana, Lorenzo","Controlling alkyne dimerization and trimerization with ruthenium(ii) arene isocyanide catalysts","Catalysis Science & Technology","2026","16","5","1622","1653","10.1039/D5CY01493J","","","0.71073","MoKα","","0.0587","0.0535","","","0.1047","0.1069","","","","","","1.193","","","","has coordinates","305277","2026-04-05","11:33:38",""
"1576420","9.1021","0.0006","11.0511","0.0008","18.3886","0.0013","90","","90","","90","","1849.7","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H23 Cl2 N Ru -","- C19 H23 Cl2 N Ru -","- C76 H92 Cl8 N4 Ru4 -","4","1","","Lapa, Hugo M.; del Rosso, Mattia; Zacchini, Stefano; Giarola, Greta; Alegria, Elisabete C. B. A.; Trzeciak, Anna M.; Marchetti, Fabio; Martins, Luísa M. D. R. S.; Biancalana, Lorenzo","Controlling alkyne dimerization and trimerization with ruthenium(ii) arene isocyanide catalysts","Catalysis Science & Technology","2026","16","5","1622","1653","10.1039/D5CY01493J","","","0.71073","MoKα","","0.044","0.0426","","","0.0973","0.0979","","","","","","1.24","","","","has coordinates","305277","2026-04-05","11:33:38",""
"1576421","7.5945","0.0004","12.2445","0.0006","25.2295","0.0012","90","","91.324","0.002","90","","2345.5","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H34 Cl N Ru -","- C27 H34 Cl N Ru -","- C108 H136 Cl4 N4 Ru4 -","4","1","","Lapa, Hugo M.; del Rosso, Mattia; Zacchini, Stefano; Giarola, Greta; Alegria, Elisabete C. B. A.; Trzeciak, Anna M.; Marchetti, Fabio; Martins, Luísa M. D. R. S.; Biancalana, Lorenzo","Controlling alkyne dimerization and trimerization with ruthenium(ii) arene isocyanide catalysts","Catalysis Science & Technology","2026","16","5","1622","1653","10.1039/D5CY01493J","","","0.71073","MoKα","","0.0485","0.043","","","0.093","0.0955","","","","","","1.113","","","","has coordinates","305277","2026-04-05","11:33:38",""
"1576422","25.2987","0.0009","17.9124","0.0006","8.3465","0.0003","90","","94.252","0.001","90","","3771.9","0.2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C15.5 H22 Cl3 N O2 Ru -","- C15.5 H22 Cl3 N O2 Ru -","- C124 H176 Cl24 N8 O16 Ru8 -","8","1","","Lapa, Hugo M.; del Rosso, Mattia; Zacchini, Stefano; Giarola, Greta; Alegria, Elisabete C. B. A.; Trzeciak, Anna M.; Marchetti, Fabio; Martins, Luísa M. D. R. S.; Biancalana, Lorenzo","Controlling alkyne dimerization and trimerization with ruthenium(ii) arene isocyanide catalysts","Catalysis Science & Technology","2026","16","5","1622","1653","10.1039/D5CY01493J","","","0.71073","MoKα","","0.0466","0.0459","","","0.1134","0.1137","","","","","","1.274","","","","has coordinates,has disorder","305277","2026-04-05","11:33:38",""
"1576423","7.3074","0.0004","12.8439","0.0007","22.1781","0.0013","90","","90","","90","","2081.5","0.2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H29 Cl2 N O Ru -","- C21 H29 Cl2 N O Ru -","- C84 H116 Cl8 N4 O4 Ru4 -","4","1","","Lapa, Hugo M.; del Rosso, Mattia; Zacchini, Stefano; Giarola, Greta; Alegria, Elisabete C. B. A.; Trzeciak, Anna M.; Marchetti, Fabio; Martins, Luísa M. D. R. S.; Biancalana, Lorenzo","Controlling alkyne dimerization and trimerization with ruthenium(ii) arene isocyanide catalysts","Catalysis Science & Technology","2026","16","5","1622","1653","10.1039/D5CY01493J","","","0.71073","MoKα","","0.0207","0.0206","","","0.053","0.0531","","","","","","1.145","","","","has coordinates","305277","2026-04-05","11:33:38",""
"1576424","9.7509","0.0006","16.0618","0.001","12.8319","0.0008","90","","99.133","0.002","90","","1984.2","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H25 I2 N Ru -","- C17 H25 I2 N Ru -","- C68 H100 I8 N4 Ru4 -","4","1","","Lapa, Hugo M.; del Rosso, Mattia; Zacchini, Stefano; Giarola, Greta; Alegria, Elisabete C. B. A.; Trzeciak, Anna M.; Marchetti, Fabio; Martins, Luísa M. D. R. S.; Biancalana, Lorenzo","Controlling alkyne dimerization and trimerization with ruthenium(ii) arene isocyanide catalysts","Catalysis Science & Technology","2026","16","5","1622","1653","10.1039/D5CY01493J","","","0.71073","MoKα","","0.0321","0.03","","","0.066","0.0667","","","","","","1.303","","","","has coordinates","305277","2026-04-05","11:33:38",""
"1576425","12.3464","0.0005","6.2562","0.0002","15.9702","0.0006","90","","110.806","0.002","90","","1153.12","0.08","298","","298","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H8 Br2 O4 -","- C10 H8 Br2 O4 -","- C40 H32 Br8 O16 -","4","1","","Jungi, Hiren; Chhetri, Ashis; Kumar, Dheeraj; Podder, Sumana; R. S., Malavika; Kuniyil, Rositha; Mitra, Joyee","Bifunctional picolinate ionic liquids as metal-/halide-free sustainable catalysts for CO2 cycloaddition to epoxides","Catalysis Science & Technology","2026","16","2","458","468","10.1039/D5CY01068C","","","0.71073","MoKα","","0.0732","0.0389","","","0.0714","0.0843","","","","","","1.017","","","","has coordinates","304224","2026-02-12","20:39:03",""
"1576426","18.1182","0.0007","4.242","0.0002","19.6101","0.0008","90","","111.198","0.005","90","","1405.2","0.11","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C15 H10 N2 O2 S2 -","- C15 H10 N2 O2 S2 -","- C60 H40 N8 O8 S8 -","4","0.5","","Swain, Amlan; Behera, Bedabyas; Samal, Saroj Lochan; Rout, Laxmidhar; Mohapatra, Debendra K.","CuNiO2 nano catalyst for efficient Csp2–S bond formation in water: toward green synthesis of bioactive molecules","Catalysis Science & Technology","2026","16","3","830","839","10.1039/D5CY01377A","","x-ray","0.71073","MoKα","","0.0454","0.0329","","","0.0808","0.0858","","","","","","1.035","","","","has coordinates","304225","2026-02-12","20:39:55",""
"1576427","7.6812","0.0002","10.0587","0.0002","15.6788","0.0003","77.844","0.002","88.357","0.002","87.353","0.002","1182.74","0.05","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H11 F O S -","- C13 H11 F O S -","- C52 H44 F4 O4 S4 -","4","2","","Swain, Amlan; Behera, Bedabyas; Samal, Saroj Lochan; Rout, Laxmidhar; Mohapatra, Debendra K.","CuNiO2 nano catalyst for efficient Csp2–S bond formation in water: toward green synthesis of bioactive molecules","Catalysis Science & Technology","2026","16","3","830","839","10.1039/D5CY01377A","","x-ray","0.71073","MoKα","","0.0893","0.0433","","","0.1069","0.1238","","","","","","1.042","","","","has coordinates","304225","2026-02-12","20:39:55",""
"1576428","5.637","0.0002","22.295","0.0007","9.3965","0.0004","90","","95.349","0.004","90","","1175.78","0.08","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H10 N2 O S2 -","- C11 H10 N2 O S2 -","- C44 H40 N8 O4 S8 -","4","1","","Swain, Amlan; Behera, Bedabyas; Samal, Saroj Lochan; Rout, Laxmidhar; Mohapatra, Debendra K.","CuNiO2 nano catalyst for efficient Csp2–S bond formation in water: toward green synthesis of bioactive molecules","Catalysis Science & Technology","2026","16","3","830","839","10.1039/D5CY01377A","","x-ray","0.71073","MoKα","","0.0486","0.0356","","","0.0968","0.1021","","","","","","1.137","","","","has coordinates","304225","2026-02-12","20:39:55",""
"1576429","10.3136","0.0005","8.2566","0.0004","15.63","0.0007","90","","103.712","0.005","90","","1293.04","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 Cl O3 S -","- C13 H11 Cl O3 S -","- C52 H44 Cl4 O12 S4 -","4","1","","Swain, Amlan; Behera, Bedabyas; Samal, Saroj Lochan; Rout, Laxmidhar; Mohapatra, Debendra K.","CuNiO2 nano catalyst for efficient Csp2–S bond formation in water: toward green synthesis of bioactive molecules","Catalysis Science & Technology","2026","16","3","830","839","10.1039/D5CY01377A","","x-ray","0.71073","MoKα","","0.1246","0.0732","","","0.2083","0.2429","","","","","","1.071","","","","has coordinates","304225","2026-02-12","20:39:56",""
"1576430","6.683","0.0003","20.6941","0.001","10.3255","0.0004","90","","91.252","0.004","90","","1427.66","0.11","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H19 N O2 S -","- C16 H19 N O2 S -","- C64 H76 N4 O8 S4 -","4","1","","Swain, Amlan; Behera, Bedabyas; Samal, Saroj Lochan; Rout, Laxmidhar; Mohapatra, Debendra K.","CuNiO2 nano catalyst for efficient Csp2–S bond formation in water: toward green synthesis of bioactive molecules","Catalysis Science & Technology","2026","16","3","830","839","10.1039/D5CY01377A","","x-ray","0.71073","MoKα","","0.0771","0.0412","","","0.087","0.0955","","","","","","1.045","","","","has coordinates","304225","2026-02-12","20:39:56",""
"1576431","12.6019","0.0004","21.5377","0.0005","22.3675","0.0006","90","","90","","90","","6070.9","0.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C60 H40 N8 S16 -","- C60 H40 N8 S16 -","- C240 H160 N32 S64 -","4","0.5","","Swain, Amlan; Behera, Bedabyas; Samal, Saroj Lochan; Rout, Laxmidhar; Mohapatra, Debendra K.","CuNiO2 nano catalyst for efficient Csp2–S bond formation in water: toward green synthesis of bioactive molecules","Catalysis Science & Technology","2026","16","3","830","839","10.1039/D5CY01377A","","x-ray","0.71073","MoKα","","0.0887","0.0428","","","0.0819","0.091","","","","","","1.067","","","","has coordinates","304225","2026-02-12","20:39:56",""
"1576432","18.983","0.0012","10.4621","0.0007","22.4265","0.0012","90","","108.076","0.002","90","","4234.1","0.5","298","2","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H18 Cu N4 O2 -","- C27 H18 Cu N4 O2 -","- C216 H144 Cu8 N32 O16 -","8","2","","Choudhary, Rachana; Dogra, Kritika; Monika,; Dhar, Basab Bijayi","Photo-mediated aromatic C–H activation by Cu(ii)-amido-quinoline complexes","Catalysis Science & Technology","2026","16","5","1610","1621","10.1039/D5CY01283J","","","0.71073","MoKα","","0.232","0.1184","","","0.1912","0.2043","","","","","","3.698","","","","has coordinates","305278","2026-04-05","11:33:47",""
"1576433","13.507","0.011","13.173","0.015","12.659","0.016","90","","99.26","0.04","90","","2223","4","295","","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","CuL3","","- C25 H24 Cu N4 O3 -","- C25 H24 Cu N4 O3 -","- C100 H96 Cu4 N16 O12 -","4","1","","Choudhary, Rachana; Dogra, Kritika; Monika,; Dhar, Basab Bijayi","Photo-mediated aromatic C–H activation by Cu(ii)-amido-quinoline complexes","Catalysis Science & Technology","2026","16","5","1610","1621","10.1039/D5CY01283J","","","0.71073","MoKα","","0.0776","0.0451","","","0.0963","0.1214","","","","","","1.106","","","","has coordinates","305278","2026-04-05","11:33:47",""
"1576434","9.5078","0.0015","6.4427","0.0006","14.9087","0.0012","90","","95.172","0.01","90","","909.53","0.18","100","5","100","5","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H9 N O6 Zn -","- C8 H9 N O6 Zn -","- C32 H36 N4 O24 Zn4 -","4","1","","Zhang, Tongtong; Wang, Xiangyu; Wright, Jack D.; Whitehead, George F. S.; Tidey, Jeremiah P.; Wong, Lu Shin; Riddell, Imogen A.","Enhanced stability and reusability of recombinant silicatein upon biomimetic metal-organic framework crystallization.","Chemical science","2026","17","6","3141","3147","10.1039/d5sc05521k","","electron","0.0251","electron","","0.1598","0.1437","","","0.2873","0.2966","","","","","","1.0358","","","","has coordinates","304231","2026-02-12","21:06:54",""
"1576435","10.6121","0.0005","11.5625","0.0007","32.624","0.002","90","","97.069","0.003","90","","3972.6","0.4","298","2","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H66 Au Br N2 O2 -","- C37 H66 Au Br N2 O2 -","- C148 H264 Au4 Br4 N8 O8 -","4","1","","Nezamzadeh, Ahmadreza; Chowdhury, Shayanta; Hu, Gaohe; Dominique, Nathaniel L.; Desroche, Emmett; Hossain, Sakiat; Aloisio, Mark D.; Furlan, Michael; Groome, Ryan R. K.; Boire, Kayla; McLean, Alastair B.; Jensen, Lasse; Camden, Jon P.; Crudden, Cathleen M.","Beyond wingtips: backbone alkylation affects the orientation of N-heterocyclic carbenes on gold nanoparticles.","Chemical science","2026","17","13","6717","6726","10.1039/d5sc05986k","","x-ray","0.71073","MoKα","","0.1166","0.0802","","","0.2019","0.2329","","","","","","1.092","","","","has coordinates","305331","2026-04-05","11:52:24",""
"1576436","10.605","0.0003","32.8095","0.001","11.2301","0.0003","90","","91.462","0.001","90","","3906.18","0.19","298","2","298","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C35 H62 Au Br N2 O2 -","- C35 H62 Au Br N2 O2 -","- C140 H248 Au4 Br4 N8 O8 -","4","1","","Nezamzadeh, Ahmadreza; Chowdhury, Shayanta; Hu, Gaohe; Dominique, Nathaniel L.; Desroche, Emmett; Hossain, Sakiat; Aloisio, Mark D.; Furlan, Michael; Groome, Ryan R. K.; Boire, Kayla; McLean, Alastair B.; Jensen, Lasse; Camden, Jon P.; Crudden, Cathleen M.","Beyond wingtips: backbone alkylation affects the orientation of N-heterocyclic carbenes on gold nanoparticles.","Chemical science","2026","17","13","6717","6726","10.1039/d5sc05986k","","","0.71073","MoKα","","0.1024","0.0607","","","0.1562","0.1836","","","","","","1.02","","","","has coordinates","305331","2026-04-05","11:52:24",""
"1576437","14.1966","0.0006","18.2589","0.0008","27.0023","0.0012","103.529","0.002","98.747","0.003","105.155","0.002","6396.7","0.5","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C133 H144 B N7 -","- C133 H144 B N7 -","- C266 H288 B2 N14 -","2","1","","Wang, Xingtian; Chen, Jianxing; Ni, Songqian; Hu, Yu; Dai, Haorun; Xiao, Zezhu; Zhu, Weiguo; Chou, Pi-Tai; Wu, Xiugang","A TADF sensitizer moiety decorated MR emitter for enhancing spin-flip and anti-ACQ.","Chemical science","2026","17","13","6702","6709","10.1039/d5sc08829a","","","1.54178","CuKα","","0.1511","0.1014","","","0.2718","0.3057","","","","","","1.057","","","","has coordinates,has disorder","305327","2026-04-05","11:52:01",""
"1576438","8.3908","0.0002","8.8613","0.0002","13.4687","0.0003","97.962","0.002","99.148","0.002","90.96","0.002","978.4","0.04","100","","100","","","","","","","","","4","P -1","-P 1","2","","6,12-Bis{[tri(i-propyl)silyl]ethynyl}-5,11-dihydropentaleno[1,2-b:4,5-b']dibenzothiophene","","- C10.5 H12.5 S0.5 Si0.5 -","- C10.5 H12.5 S0.5 Si0.5 -","- C42 H50 S2 Si2 -","4","2","","Isogai, Ryosuke; Yasui, Kosuke; Fukazawa, Aiko","Modular synthesis of benzothiophene-fused pentalenes reveals substituent-dependent antiaromaticity.","Chemical science","2026","17","6","3005","3011","10.1039/d5sc09325b","","","0.4108","synchrotron","","0.0416","0.0394","","","0.1095","0.1114","","","","","","1.083","","","","has coordinates,has disorder","304234","2026-02-12","21:07:57",""
"1576439","7.6823","0.0004","10.0325","0.0005","14.5626","0.0006","75.757","0.004","79.327","0.004","76.421","0.004","1047.75","0.09","93","","93","","","","","","","","","3","P -1","-P 1","2","","","","- C30 H26 O2 -","- C30 H26 O2 -","- C60 H52 O4 -","2","1","","Kurokawa, Kazuma; Kohyama, Aki; Kuroda, Yusuke; Tao-Kakuyama, Keisuke; Takikawa, Hiroshi; Takasu, Kiyosei","Self-induced charge transfer activation enables metal-free C-H coupling of polycyclic aromatic hydrocarbons under photo irradiation.","Chemical science","2026","17","10","4942","4947","10.1039/d5sc09144f","","x-ray","1.54184","CuKα","","0.0561","0.0507","","","0.1526","0.1617","","","","","","1.049","","","","has coordinates","305323","2026-04-05","11:47:48",""
"1576440","17.3008","0.0003","7.44911","0.00016","18.6556","0.0003","90","","90.8618","0.0017","90","","2403.98","0.08","93","","93","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C32 H30 O3 -","- C32 H30 O3 -","- C128 H120 O12 -","4","1","","Kurokawa, Kazuma; Kohyama, Aki; Kuroda, Yusuke; Tao-Kakuyama, Keisuke; Takikawa, Hiroshi; Takasu, Kiyosei","Self-induced charge transfer activation enables metal-free C-H coupling of polycyclic aromatic hydrocarbons under photo irradiation.","Chemical science","2026","17","10","4942","4947","10.1039/d5sc09144f","","x-ray","1.54184","CuKα","","0.0475","0.0407","","","0.1065","0.1112","","","","","","1.044","","","","has coordinates","305323","2026-04-05","11:47:48",""
"1576441","13.3054","0.0003","17.9492","0.0003","12.5807","0.0003","90","","116.469","0.003","90","","2689.59","0.12","93","","93","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H23 Cl3 O2 -","- C35 H23 Cl3 O2 -","- C140 H92 Cl12 O8 -","4","1","","Kurokawa, Kazuma; Kohyama, Aki; Kuroda, Yusuke; Tao-Kakuyama, Keisuke; Takikawa, Hiroshi; Takasu, Kiyosei","Self-induced charge transfer activation enables metal-free C-H coupling of polycyclic aromatic hydrocarbons under photo irradiation.","Chemical science","2026","17","10","4942","4947","10.1039/d5sc09144f","","x-ray","1.54184","CuKα","","0.0593","0.0567","","","0.1649","0.1677","","","","","","1.076","","","","has coordinates","305323","2026-04-05","11:47:48",""
"1576442","10.3677","0.0001","13.9097","0.0002","16.4888","0.0002","90","","95.504","0.001","90","","2366.91","0.05","93","","93","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H23 F3 O4 S -","- C30 H23 F3 O4 S -","- C120 H92 F12 O16 S4 -","4","1","","Kurokawa, Kazuma; Kohyama, Aki; Kuroda, Yusuke; Tao-Kakuyama, Keisuke; Takikawa, Hiroshi; Takasu, Kiyosei","Self-induced charge transfer activation enables metal-free C-H coupling of polycyclic aromatic hydrocarbons under photo irradiation.","Chemical science","2026","17","10","4942","4947","10.1039/d5sc09144f","","x-ray","1.54184","CuKα","","0.0412","0.0407","","","0.1137","0.1143","","","","","","1.015","","","","has coordinates","305323","2026-04-05","11:47:48",""
"1576443","8.01237","0.00013","11.7893","0.0002","14.1489","0.0003","108.787","0.0018","98.5955","0.0015","94.2027","0.0015","1240.52","0.04","93","","93","","","","","","","","","3","P -1","-P 1","2","","","","- C36 H26 O4 -","- C36 H26 O4 -","- C72 H52 O8 -","2","1","","Kurokawa, Kazuma; Kohyama, Aki; Kuroda, Yusuke; Tao-Kakuyama, Keisuke; Takikawa, Hiroshi; Takasu, Kiyosei","Self-induced charge transfer activation enables metal-free C-H coupling of polycyclic aromatic hydrocarbons under photo irradiation.","Chemical science","2026","17","10","4942","4947","10.1039/d5sc09144f","","x-ray","1.54184","CuKα","","0.0408","0.0386","","","0.1161","0.1187","","","","","","1.076","","","","has coordinates","305323","2026-04-05","11:47:48",""
"1576444","19.8054","0.0005","23.0253","0.0005","25.2516","0.0006","90","","105.763","0.002","90","","11082.3","0.5","93","","93","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30.75 H25.75 Cl2.25 O2 -","- C30.75 H25.75 Cl2.25 O2 -","- C492 H412 Cl36 O32 -","16","4","","Kurokawa, Kazuma; Kohyama, Aki; Kuroda, Yusuke; Tao-Kakuyama, Keisuke; Takikawa, Hiroshi; Takasu, Kiyosei","Self-induced charge transfer activation enables metal-free C-H coupling of polycyclic aromatic hydrocarbons under photo irradiation.","Chemical science","2026","17","10","4942","4947","10.1039/d5sc09144f","","x-ray","1.54184","CuKα","","0.1139","0.0901","","","0.2739","0.2934","","","","","","1.079","","","","has coordinates","305323","2026-04-05","11:47:48",""
"1576445","11.2328","0.0004","11.3152","0.0005","24.1172","0.0008","97.562","0.003","99.303","0.003","91.481","0.003","2995.2","0.2","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C60 H44 F6 O8 S2 -","- C60 H44 F6 O8 S2 -","- C120 H88 F12 O16 S4 -","2","1","","Kurokawa, Kazuma; Kohyama, Aki; Kuroda, Yusuke; Tao-Kakuyama, Keisuke; Takikawa, Hiroshi; Takasu, Kiyosei","Self-induced charge transfer activation enables metal-free C-H coupling of polycyclic aromatic hydrocarbons under photo irradiation.","Chemical science","2026","17","10","4942","4947","10.1039/d5sc09144f","","x-ray","1.54184","CuKα","","0.1112","0.0877","","","0.2568","0.2774","","","","","","0.849","","","","has coordinates","305323","2026-04-05","11:47:48",""
"1576446","14.347","0.003","14.439","0.003","15.615","0.003","105.046","0.012","92.561","0.012","108.743","0.011","2929","1.1","173","","173","","","","","","","","","4","P -1","-P 1","2","","PhBPy-HC","","- C43 H28 B N -","- C43 H28 B N -","- C172 H112 B4 N4 -","4","2","","Wang, Min; Liu, Zhi-Qiang; Zhao, Cui-Hua","B ← N Lewis pair fusion of [6]helicene: one way to integrate circularly polarized luminescence with two-photon absorption.","Chemical science","2026","17","13","6426","6437","10.1039/d5sc08697c","","","1.54178","CuKα","","0.1842","0.092","","","0.2226","0.3138","","","","","","0.939","","","","has coordinates","305326","2026-04-05","11:51:52",""
"1576447","27.5353","0.0016","13.9114","0.0007","12.6024","0.0007","90","","94.797","0.003","90","","4810.5","0.5","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","NFBPy-HC","","- C62 H32 B Cl3 F10 N2 -","- C62 H32 B Cl3 F10 N2 -","- C248 H128 B4 Cl12 F40 N8 -","4","1","","Wang, Min; Liu, Zhi-Qiang; Zhao, Cui-Hua","B ← N Lewis pair fusion of [6]helicene: one way to integrate circularly polarized luminescence with two-photon absorption.","Chemical science","2026","17","13","6426","6437","10.1039/d5sc08697c","","","1.54178","CuKα","","0.1279","0.1067","","","0.2976","0.3242","","","","","","0.983","","","","has coordinates","305326","2026-04-05","11:51:52",""
"1576448","12.69645","0.00013","5.25071","0.00005","18.54221","0.00017","90","","94.5151","0.0009","90","","1232.29","0.02","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H15 N O3 S -","- C12 H15 N O3 S -","- C48 H60 N4 O12 S4 -","4","1","","Hwang, Meemie U.; Gogoi, Achyut; Scurria, Matthew; Gutierrez, Osvaldo; Scheidt, Karl A.","Photochemical cyclization of α-amino esters to access 3-azetidinones.","Chemical science","2026","17","13","6766","6772","10.1039/d5sc09994c","","x-ray","1.54184","CuKα","","0.0357","0.0327","","","0.0839","0.0866","","","","","","1.08","","","","has coordinates","305334","2026-04-05","11:52:41",""
"1576449","25.0211","0.0006","8.3937","0.0003","25.1936","0.0006","90","","97.585","0.002","90","","5244.9","0.3","100.3","0.6","100.3","0.6","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C22.5 H25 Cl F3 N3 O6 S2 -","- C22.5 H25 Cl F3 N3 O6 S2 -","- C180 H200 Cl8 F24 N24 O48 S16 -","8","1","","Hwang, Meemie U.; Gogoi, Achyut; Scurria, Matthew; Gutierrez, Osvaldo; Scheidt, Karl A.","Photochemical cyclization of α-amino esters to access 3-azetidinones.","Chemical science","2026","17","13","6766","6772","10.1039/d5sc09994c","","x-ray","1.54184","CuKα","","0.0733","0.07","","","0.1841","0.1875","","","","","","1.082","","","","has coordinates,has disorder","305334","2026-04-05","11:52:41",""
"1576450","10.6584","0.0006","10.8794","0.0007","16.6188","0.0011","90","","90","","90","","1927.1","0.2","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H27 N3 O3 -","- C20 H27 N3 O3 -","- C80 H108 N12 O12 -","4","1","","Hwang, Meemie U.; Gogoi, Achyut; Scurria, Matthew; Gutierrez, Osvaldo; Scheidt, Karl A.","Photochemical cyclization of α-amino esters to access 3-azetidinones.","Chemical science","2026","17","13","6766","6772","10.1039/d5sc09994c","","x-ray","1.54184","CuKα","","0.0909","0.0693","","","0.179","0.1955","","","","","","1.063","","","","has coordinates","305334","2026-04-05","11:52:41",""
"1576451","15.067","0.0006","15.067","0.0006","15.2096","0.0006","90","","90","","120","","2990.2","0.2","100","0.1","100","0.1","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","","","- C39 H24 Fe N3 -","- C39 H24 Fe N3 -","- C156 H96 Fe4 N12 -","4","0.333333","","Radović, Aleksa; Healy, Maria C.; Datta, Arnadeep; Das, Deborshee; Cai, Likun; Diaz, Steven; Gogoi, Achyut Ranjan; Wolford, Nikki J.; Carpenter, Stephanie H.; Brenessel, William W.; McCamant, David; Gutierrez, Osvaldo; Neidig, Michael L.","Iron tris-mesityl: a homoleptic iron(ii) ferrate species for directed C-H activation.","Chemical science","2026","17","14","7002","7009","10.1039/d5sc08832a","","x-ray","1.54184","CuKα","","0.043","0.0387","","","0.1095","0.1125","","","","","","1.099","","","","has coordinates","305780","2026-05-05","08:56:37",""
"1576452","12.9303","0.0002","13.4933","0.0002","15.5169","0.0002","91.84","0.001","90.531","0.001","93.057","0.001","2701.86","0.07","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C59 H76 Fe K N5 O8 -","- C59 H76 Fe K N5 O8 -","- C118 H152 Fe2 K2 N10 O16 -","2","1","","Radović, Aleksa; Healy, Maria C.; Datta, Arnadeep; Das, Deborshee; Cai, Likun; Diaz, Steven; Gogoi, Achyut Ranjan; Wolford, Nikki J.; Carpenter, Stephanie H.; Brenessel, William W.; McCamant, David; Gutierrez, Osvaldo; Neidig, Michael L.","Iron tris-mesityl: a homoleptic iron(ii) ferrate species for directed C-H activation.","Chemical science","2026","17","14","7002","7009","10.1039/d5sc08832a","","x-ray","1.54184","CuKα","","0.061","0.055","","","0.1542","0.1603","","","","","","1.079","","","","has coordinates,has disorder","305780","2026-05-05","08:56:37",""
"1576453","11.9758","0.0003","13.1767","0.0003","16.3831","0.0004","105.165","0.002","106.901","0.003","101.067","0.002","2284.72","0.12","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C94 H92 Ce Fe2 N13 O26 -","- C94 H92 Ce Fe2 N13 O26 -","- C94 H92 Ce Fe2 N13 O26 -","1","0.5","","Radović, Aleksa; Healy, Maria C.; Datta, Arnadeep; Das, Deborshee; Cai, Likun; Diaz, Steven; Gogoi, Achyut Ranjan; Wolford, Nikki J.; Carpenter, Stephanie H.; Brenessel, William W.; McCamant, David; Gutierrez, Osvaldo; Neidig, Michael L.","Iron tris-mesityl: a homoleptic iron(ii) ferrate species for directed C-H activation.","Chemical science","2026","17","14","7002","7009","10.1039/d5sc08832a","","x-ray","1.54184","CuKα","","0.0717","0.0596","","","0.1608","0.1703","","","","","","1.052","","","","has coordinates,has disorder","305780","2026-05-05","08:56:37",""
"1576454","12.6152","0.0002","13.0318","0.0002","31.199","0.0004","90","","99.323","0.001","90","","5061.33","0.13","232.99","0.1","232.99","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C57 H60 Fe K N5 O6 -","- C57 H60 Fe K N5 O6 -","- C228 H240 Fe4 K4 N20 O24 -","4","1","","Radović, Aleksa; Healy, Maria C.; Datta, Arnadeep; Das, Deborshee; Cai, Likun; Diaz, Steven; Gogoi, Achyut Ranjan; Wolford, Nikki J.; Carpenter, Stephanie H.; Brenessel, William W.; McCamant, David; Gutierrez, Osvaldo; Neidig, Michael L.","Iron tris-mesityl: a homoleptic iron(ii) ferrate species for directed C-H activation.","Chemical science","2026","17","14","7002","7009","10.1039/d5sc08832a","","x-ray","1.54184","CuKα","","0.0531","0.0464","","","0.1285","0.1342","","","","","","1.051","","","","has coordinates","305780","2026-05-05","08:56:37",""
"1576455","17.7676","0.0002","19.7393","0.0002","20.0446","0.0002","114.699","0.001","111.755","0.001","91.604","0.001","5791.04","0.13","100","0.11","100","0.11","","","","","","","","6","P -1","-P 1","2","","","","- C62 H83 Fe K N5 O8 -","- C62 H83 Fe K N5 O8 -","- C248 H332 Fe4 K4 N20 O32 -","4","2","","Radović, Aleksa; Healy, Maria C.; Datta, Arnadeep; Das, Deborshee; Cai, Likun; Diaz, Steven; Gogoi, Achyut Ranjan; Wolford, Nikki J.; Carpenter, Stephanie H.; Brenessel, William W.; McCamant, David; Gutierrez, Osvaldo; Neidig, Michael L.","Iron tris-mesityl: a homoleptic iron(ii) ferrate species for directed C-H activation.","Chemical science","2026","17","14","7002","7009","10.1039/d5sc08832a","","x-ray","1.54184","CuKα","","0.0583","0.049","","","0.1297","0.1351","","","","","","1.023","","","","has coordinates,has disorder","305780","2026-05-05","08:56:37",""
"1576456","12.4231","0.0003","17.6759","0.0005","21.3412","0.0006","90","","95.467","0.003","90","","4665","0.2","149.9","0.3","149.9","0.3","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","012mch25","","- C47 H73 Br Fe Mg O5 -","- C47 H73 Br Fe Mg O5 -","- C188 H292 Br4 Fe4 Mg4 O20 -","4","1","","Radović, Aleksa; Healy, Maria C.; Datta, Arnadeep; Das, Deborshee; Cai, Likun; Diaz, Steven; Gogoi, Achyut Ranjan; Wolford, Nikki J.; Carpenter, Stephanie H.; Brenessel, William W.; McCamant, David; Gutierrez, Osvaldo; Neidig, Michael L.","Iron tris-mesityl: a homoleptic iron(ii) ferrate species for directed C-H activation.","Chemical science","2026","17","14","7002","7009","10.1039/d5sc08832a","","x-ray","1.54184","CuKα","","0.0858","0.0593","","","0.1344","0.1486","","","","","","1.025","","","","has coordinates","305780","2026-05-05","08:56:37",""
"1576457","14.6616","0.0001","14.6616","0.0001","75.294","0.0006","90","","90","","120","","14017","0.18","100","0.1","100","0.1","","","","","","","","7","R 3 c :H","R 3 -2""c","161","","","","- C51 H54 F6 Fe K N5 O6 -","- C51 H54 F6 Fe K N5 O6 -","- C612 H648 F72 Fe12 K12 N60 O72 -","12","0.666667","","Radović, Aleksa; Healy, Maria C.; Datta, Arnadeep; Das, Deborshee; Cai, Likun; Diaz, Steven; Gogoi, Achyut Ranjan; Wolford, Nikki J.; Carpenter, Stephanie H.; Brenessel, William W.; McCamant, David; Gutierrez, Osvaldo; Neidig, Michael L.","Iron tris-mesityl: a homoleptic iron(ii) ferrate species for directed C-H activation.","Chemical science","2026","17","14","7002","7009","10.1039/d5sc08832a","","x-ray","1.54184","CuKα","","0.0347","0.034","","","0.0978","0.0984","","","","","","1.09","","","","has coordinates","305780","2026-05-05","08:56:37",""
"1576458","15.075","0.0004","15.075","0.0004","28.6238","0.0008","90","","90","","120","","5633.4","0.3","173","0.1","173","0.1","","","","","","","","4","R -3 :H","-R 3","148","","","","- C36 H30 Fe N3 -","- C36 H30 Fe N3 -","- C216 H180 Fe6 N18 -","6","0.333333","","Radović, Aleksa; Healy, Maria C.; Datta, Arnadeep; Das, Deborshee; Cai, Likun; Diaz, Steven; Gogoi, Achyut Ranjan; Wolford, Nikki J.; Carpenter, Stephanie H.; Brenessel, William W.; McCamant, David; Gutierrez, Osvaldo; Neidig, Michael L.","Iron tris-mesityl: a homoleptic iron(ii) ferrate species for directed C-H activation.","Chemical science","2026","17","14","7002","7009","10.1039/d5sc08832a","","x-ray","1.54184","CuKα","","0.0431","0.0383","","","0.1111","0.1164","","","","","","1.108","","","","has coordinates","305780","2026-05-05","08:56:37",""
"1576459","9.105","0.0001","23.3523","0.0002","12.2189","0.0001","90","","97.931","0.001","90","","2573.17","0.04","99.99","0.1","99.99","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H18 F6 Fe N3 -","- C33 H18 F6 Fe N3 -","- C132 H72 F24 Fe4 N12 -","4","1","","Radović, Aleksa; Healy, Maria C.; Datta, Arnadeep; Das, Deborshee; Cai, Likun; Diaz, Steven; Gogoi, Achyut Ranjan; Wolford, Nikki J.; Carpenter, Stephanie H.; Brenessel, William W.; McCamant, David; Gutierrez, Osvaldo; Neidig, Michael L.","Iron tris-mesityl: a homoleptic iron(ii) ferrate species for directed C-H activation.","Chemical science","2026","17","14","7002","7009","10.1039/d5sc08832a","","x-ray","1.54184","CuKα","","0.0456","0.0402","","","0.1096","0.1128","","","","","","1.09","","","","has coordinates","305780","2026-05-05","08:56:37",""
"1576460","15.0862","0.0001","9.9544","0.0001","20.7463","0.0001","90","","91.446","0.001","90","","3114.56","0.04","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H38 Fe N3 O -","- C40 H38 Fe N3 O -","- C160 H152 Fe4 N12 O4 -","4","1","","Radović, Aleksa; Healy, Maria C.; Datta, Arnadeep; Das, Deborshee; Cai, Likun; Diaz, Steven; Gogoi, Achyut Ranjan; Wolford, Nikki J.; Carpenter, Stephanie H.; Brenessel, William W.; McCamant, David; Gutierrez, Osvaldo; Neidig, Michael L.","Iron tris-mesityl: a homoleptic iron(ii) ferrate species for directed C-H activation.","Chemical science","2026","17","14","7002","7009","10.1039/d5sc08832a","","x-ray","1.54184","CuKα","","0.0379","0.0349","","","0.0893","0.091","","","","","","1.075","","","","has coordinates","305780","2026-05-05","08:56:37",""
"1576461","9.4612","0.0001","23.5947","0.0002","12.1155","0.0001","90","","98.122","0.001","90","","2677.47","0.04","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H15 F9 Fe N3 -","- C33 H15 F9 Fe N3 -","- C132 H60 F36 Fe4 N12 -","4","1","","Radović, Aleksa; Healy, Maria C.; Datta, Arnadeep; Das, Deborshee; Cai, Likun; Diaz, Steven; Gogoi, Achyut Ranjan; Wolford, Nikki J.; Carpenter, Stephanie H.; Brenessel, William W.; McCamant, David; Gutierrez, Osvaldo; Neidig, Michael L.","Iron tris-mesityl: a homoleptic iron(ii) ferrate species for directed C-H activation.","Chemical science","2026","17","14","7002","7009","10.1039/d5sc08832a","","x-ray","1.54184","CuKα","","0.0419","0.0366","","","0.0933","0.0957","","","","","","1.113","","","","has coordinates","305780","2026-05-05","08:56:37",""
"1576462","16.5115","0.0002","16.5115","0.0002","15.4636","0.0001","90","","90","","120","","3651.02","0.07","100.01","0.1","100.01","0.1","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","","","- C33 H24 Fe N3 -","- C33 H24 Fe N3 -","- C198 H144 Fe6 N18 -","6","0.5","","Radović, Aleksa; Healy, Maria C.; Datta, Arnadeep; Das, Deborshee; Cai, Likun; Diaz, Steven; Gogoi, Achyut Ranjan; Wolford, Nikki J.; Carpenter, Stephanie H.; Brenessel, William W.; McCamant, David; Gutierrez, Osvaldo; Neidig, Michael L.","Iron tris-mesityl: a homoleptic iron(ii) ferrate species for directed C-H activation.","Chemical science","2026","17","14","7002","7009","10.1039/d5sc08832a","","x-ray","1.54184","CuKα","","0.0444","0.0424","","","0.1145","0.1166","","","","","","1.093","","","","has coordinates,has disorder","305780","2026-05-05","08:56:37",""
"1576463","12.381","0.0001","15.9336","0.0001","23.8962","0.0002","90","","90","","90","","4714.1","0.06","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C48 H72 Fe Mg O6 -","- C48 H72 Fe Mg O6 -","- C192 H288 Fe4 Mg4 O24 -","4","1","","Radović, Aleksa; Healy, Maria C.; Datta, Arnadeep; Das, Deborshee; Cai, Likun; Diaz, Steven; Gogoi, Achyut Ranjan; Wolford, Nikki J.; Carpenter, Stephanie H.; Brenessel, William W.; McCamant, David; Gutierrez, Osvaldo; Neidig, Michael L.","Iron tris-mesityl: a homoleptic iron(ii) ferrate species for directed C-H activation.","Chemical science","2026","17","14","7002","7009","10.1039/d5sc08832a","","x-ray","1.54184","CuKα","","0.0314","0.03","","","0.078","0.0789","","","","","","1.053","","","","has coordinates","305780","2026-05-05","08:56:37",""
"1576464","7.3682","0.0003","10.1761","0.0004","22.8548","0.001","85.791","0.002","86.643","0.002","70.673","0.002","1611.64","0.12","170","","170","","","","","","","","","6","P -1","-P 1","2","","","","- C32 H64 B40 Cu4 N4 O6 -","- C32 H64 B40 Cu4 N4 O6 -","- C32 H64 B40 Cu4 N4 O6 -","1","0.5","","Li, Ping; Li, Xiang; Wang, Liyan; Wang, Mengmeng; Tu, Deshuang; Yan, Hong; Lu, Jian; Lu, Ju-You","Stereospecific alkenylation of carboranes: copper-catalyzed access to pyridylcarboranyl alkenes.","Chemical science","2026","17","14","7194","7202","10.1039/d5sc10093c","","","1.54184","CuKα","","0.0447","0.0398","","","0.1095","0.1141","","","","","","1.053","","","","has coordinates","305776","2026-05-05","08:55:40",""
"1576465","17.4659","0.0006","6.6516","0.0003","18.7605","0.0007","90","","111.999","0.001","90","","2020.83","0.14","193","","193","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H23 B10 N -","- C19 H23 B10 N -","- C76 H92 B40 N4 -","4","1","","Li, Ping; Li, Xiang; Wang, Liyan; Wang, Mengmeng; Tu, Deshuang; Yan, Hong; Lu, Jian; Lu, Ju-You","Stereospecific alkenylation of carboranes: copper-catalyzed access to pyridylcarboranyl alkenes.","Chemical science","2026","17","14","7194","7202","10.1039/d5sc10093c","","","0.71073","MoKα","","0.0695","0.0517","","","0.1319","0.1448","","","","","","1.042","","","","has coordinates","305776","2026-05-05","08:55:40",""
"1576466","6.6233","0.0003","12.6036","0.0006","44.544","0.002","90","","90.489","0.002","90","","3718.3","0.3","193","","193","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H42 B20 N2 -","- C30 H42 B20 N2 -","- C120 H168 B80 N8 -","4","1","","Li, Ping; Li, Xiang; Wang, Liyan; Wang, Mengmeng; Tu, Deshuang; Yan, Hong; Lu, Jian; Lu, Ju-You","Stereospecific alkenylation of carboranes: copper-catalyzed access to pyridylcarboranyl alkenes.","Chemical science","2026","17","14","7194","7202","10.1039/d5sc10093c","","","0.71073","MoKα","","0.109","0.0802","","","0.2112","0.2267","","","","","","1.036","","","","has coordinates","305776","2026-05-05","08:55:40",""
"1576467","6.8","0.004","12.42","0.006","21.506","0.01","90","","90.303","0.019","90","","1816.3","1.6","193","","193","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H41 B20 N2 S2 -","- C26 H39 B20 N2 S2 -","- C52 H78 B40 N4 S4 -","2","1","","Li, Ping; Li, Xiang; Wang, Liyan; Wang, Mengmeng; Tu, Deshuang; Yan, Hong; Lu, Jian; Lu, Ju-You","Stereospecific alkenylation of carboranes: copper-catalyzed access to pyridylcarboranyl alkenes.","Chemical science","2026","17","14","7194","7202","10.1039/d5sc10093c","","","0.71073","MoKα","","0.097","0.0731","","","0.19","0.2118","","","","","","1.034","","","","has coordinates","305776","2026-05-05","08:55:40",""
"1576468","11.989","0.0004","22.5139","0.0009","8.2685","0.0003","90","","105.194","0.001","90","","2153.81","0.14","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H28 B10 N2 O -","- C16 H28 B10 N2 O -","- C64 H112 B40 N8 O4 -","4","1","","Li, Ping; Li, Xiang; Wang, Liyan; Wang, Mengmeng; Tu, Deshuang; Yan, Hong; Lu, Jian; Lu, Ju-You","Stereospecific alkenylation of carboranes: copper-catalyzed access to pyridylcarboranyl alkenes.","Chemical science","2026","17","14","7194","7202","10.1039/d5sc10093c","","","0.71073","MoKα","","0.0825","0.0515","","","0.1187","0.1385","","","","","","1.036","","","","has coordinates","305776","2026-05-05","08:55:40",""
"1576469","21.9582","0.0011","15.4314","0.0009","20.0065","0.0009","90","","109.032","0.002","90","","6408.5","0.6","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C64 H72 N4 O18 S4 -","- C64 H72 N4 O18 S4 -","- C256 H288 N16 O72 S16 -","4","1","","Alarcon-Miranda, Carlos; Middleton, Isis A.; Rusli, Olivia; Caceres-Herrera, Nicolas; Bhadbhade, Mohan; Rijs, Nicole J.; Thordarson, Pall; Kogan, Marcelo J.; Saitz, Claudio","<i>N</i>-Arylsulfonamidocalix[4]arenes with narrow pH-responsive binding near neutral pH.","Chemical science","2026","17","6","3293","3299","10.1039/d5sc07965a","","","0.71073","MoKα","","0.0803","0.0656","","","0.141","0.1491","","","","","","1.09","","","","has coordinates,has disorder","304240","2026-02-12","21:13:43",""
"1576470","20.84","0.003","19.926","0.002","22.459","0.003","90","","99.284","0.01","90","","9204","2","120.15","","120.15","","","","","","","","","7","I 1 2/c 1","-I 2yc","15","","","","- C68.75 H67 F12 N4 Na5 O24.75 S8 -","- C68.75 H67 F12 N4 Na O24.75 S8 -","- C275 H268 F48 N16 Na4 O99 S32 -","4","0.5","","Alarcon-Miranda, Carlos; Middleton, Isis A.; Rusli, Olivia; Caceres-Herrera, Nicolas; Bhadbhade, Mohan; Rijs, Nicole J.; Thordarson, Pall; Kogan, Marcelo J.; Saitz, Claudio","<i>N</i>-Arylsulfonamidocalix[4]arenes with narrow pH-responsive binding near neutral pH.","Chemical science","2026","17","6","3293","3299","10.1039/d5sc07965a","","","0.71073","MoKα","","0.1428","0.1208","","","0.2692","0.2836","","","","","","1.089","","","","has coordinates,has disorder","304240","2026-02-12","21:13:43",""
"1576471","11.117","0.0003","15.9224","0.0005","17.8651","0.0005","78.036","0.001","81.905","0.001","84.906","0.001","3056.97","0.15","296","2","296.15","","","","","","","","","8","P -1","-P 1","2","","","","- C28.5 H29 B3 Cl N2 Os P Se2 -","- C28 H28 B3 N2 Os P Se2 -","- C112 H112 B12 N8 Os4 P4 Se8 -","4","2","","Assanar, Faneesha; Gayen, Sourav; Patel, Deepak Kumar; Pradeep, Thalappil; Ghosh, Sundargopal","Cooperative borane activation by tuning hemilability of different Os-κ<sup>2</sup>-<i>N</i>,<i>Se</i>-chelated complexes.","Chemical science","2026","17","6","3129","3140","10.1039/d5sc06346a","","","0.71073","MoKα","","0.039","0.0282","","","0.0668","0.0712","","","","","","1.0285","","","","has coordinates","304241","2026-02-12","21:14:57",""
"1576472","11.0801","0.0015","11.7542","0.0012","34.23","0.004","90","","90.696","0.005","90","","4457.7","0.9","301","2","301","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H47 B2 N Os P2 Se2 -","- C48 H47 B2 N Os P2 Se2 -","- C192 H188 B8 N4 Os4 P8 Se8 -","4","1","","Assanar, Faneesha; Gayen, Sourav; Patel, Deepak Kumar; Pradeep, Thalappil; Ghosh, Sundargopal","Cooperative borane activation by tuning hemilability of different Os-κ<sup>2</sup>-<i>N</i>,<i>Se</i>-chelated complexes.","Chemical science","2026","17","6","3129","3140","10.1039/d5sc06346a","","","0.71073","MoKα","","0.0414","0.0308","","","0.0742","0.0785","","","","","","1.052","","","","has coordinates,has disorder","304241","2026-02-12","21:14:57",""
"1576473","12.1253","0.0009","18.0329","0.001","12.381","0.0009","90","","91.515","0.003","90","","2706.2","0.3","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H23 Cl N2 Os P Se2 -","- C28 H23 Cl N2 Os P Se2 -","- C112 H92 Cl4 N8 Os4 P4 Se8 -","4","1","","Assanar, Faneesha; Gayen, Sourav; Patel, Deepak Kumar; Pradeep, Thalappil; Ghosh, Sundargopal","Cooperative borane activation by tuning hemilability of different Os-κ<sup>2</sup>-<i>N</i>,<i>Se</i>-chelated complexes.","Chemical science","2026","17","6","3129","3140","10.1039/d5sc06346a","","","0.71073","MoKα","","0.0296","0.0226","","","0.0487","0.0517","","","","","","1.016","","","","has coordinates","304241","2026-02-12","21:14:58",""
"1576474","12.7281","0.0008","9.4036","0.0006","15.1331","0.0009","90","","101.48","0.002","90","","1775.04","0.19","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H21 B7 N2 Os Se2 -","- C10 H21 B7 N2 Os Se2 -","- C40 H84 B28 N8 Os4 Se8 -","4","1","","Assanar, Faneesha; Gayen, Sourav; Patel, Deepak Kumar; Pradeep, Thalappil; Ghosh, Sundargopal","Cooperative borane activation by tuning hemilability of different Os-κ<sup>2</sup>-<i>N</i>,<i>Se</i>-chelated complexes.","Chemical science","2026","17","6","3129","3140","10.1039/d5sc06346a","","","0.71073","MoKα","","0.0184","0.0136","","","0.0327","0.0333","","","","","","0.817","","","","has coordinates","304241","2026-02-12","21:14:58",""
"1576475","19.9615","0.0018","17.6882","0.0017","11.2486","0.0011","90","","95.367","0.003","90","","3954.3","0.6","269","2","269","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H38 N2 Os P2 Se2 -","- C46 H38 N2 Os P2 Se2 -","- C184 H152 N8 Os4 P8 Se8 -","4","1","","Assanar, Faneesha; Gayen, Sourav; Patel, Deepak Kumar; Pradeep, Thalappil; Ghosh, Sundargopal","Cooperative borane activation by tuning hemilability of different Os-κ<sup>2</sup>-<i>N</i>,<i>Se</i>-chelated complexes.","Chemical science","2026","17","6","3129","3140","10.1039/d5sc06346a","","","0.71073","MoKα","","0.1373","0.0729","","","0.1442","0.1605","","","","","","1.069","","","","has coordinates","304241","2026-02-12","21:14:58",""
"1576476","9.5636","0.0005","15.361","0.0008","25.2268","0.0015","90","","100.93","","90","","3638.8","0.3","156","2","156","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C41 H34 Cl2 N Os P2 Se -","- C41 H34 Cl2 N Os P2 Se -","- C164 H136 Cl8 N4 Os4 P8 Se4 -","4","1","","Assanar, Faneesha; Gayen, Sourav; Patel, Deepak Kumar; Pradeep, Thalappil; Ghosh, Sundargopal","Cooperative borane activation by tuning hemilability of different Os-κ<sup>2</sup>-<i>N</i>,<i>Se</i>-chelated complexes.","Chemical science","2026","17","6","3129","3140","10.1039/d5sc06346a","","","0.71073","MoKα","","0.0442","0.0336","","","0.068","0.0724","","","","","","1.045","","","","has coordinates,has disorder","304241","2026-02-12","21:14:58",""
"1576477","15.3411","0.0005","9.6807","0.0003","20.0705","0.0005","90","","90","","90","","2980.72","0.15","150","2","150","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C28 H33 B4 N2 Os P Se2 -","- C28 H33 B4 N2 Os P Se2 -","- C112 H132 B16 N8 Os4 P4 Se8 -","4","1","","Assanar, Faneesha; Gayen, Sourav; Patel, Deepak Kumar; Pradeep, Thalappil; Ghosh, Sundargopal","Cooperative borane activation by tuning hemilability of different Os-κ<sup>2</sup>-<i>N</i>,<i>Se</i>-chelated complexes.","Chemical science","2026","17","6","3129","3140","10.1039/d5sc06346a","","","0.71073","MoKα","","0.0261","0.0218","","","0.0433","0.0449","","","","","","1.036","","","","has coordinates","304241","2026-02-12","21:14:58",""
"1576478","10.8616","0.0007","30.8022","0.0019","14.9297","0.001","90","","97.324","0.002","90","","4954.1","0.6","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C51 H39 B2 F12 N2 Os P Se3 -","- C51 H39 B2 F12 N2 Os P Se3 -","- C204 H156 B8 F48 N8 Os4 P4 Se12 -","4","1","","Assanar, Faneesha; Gayen, Sourav; Patel, Deepak Kumar; Pradeep, Thalappil; Ghosh, Sundargopal","Cooperative borane activation by tuning hemilability of different Os-κ<sup>2</sup>-<i>N</i>,<i>Se</i>-chelated complexes.","Chemical science","2026","17","6","3129","3140","10.1039/d5sc06346a","","","0.71073","MoKα","","0.0769","0.0506","","","0.104","0.1149","","","","","","1.042","","","","has coordinates,has disorder","304241","2026-02-12","21:14:58",""
"1576479","20.9226","0.0009","24.4708","0.0012","24.7349","0.0012","73.662","0.002","84.215","0.002","87.098","0.002","12087.5","1","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C69.5 H49 B F12 N2 Os P2 S4 -","- C69.5 H49 B F12 N2 Os P2 S4 -","- C417 H294 B6 F72 N12 Os6 P12 S24 -","6","3","","Assanar, Faneesha; Gayen, Sourav; Patel, Deepak Kumar; Pradeep, Thalappil; Ghosh, Sundargopal","Cooperative borane activation by tuning hemilability of different Os-κ<sup>2</sup>-<i>N</i>,<i>Se</i>-chelated complexes.","Chemical science","2026","17","6","3129","3140","10.1039/d5sc06346a","","","0.71073","MoKα","","0.1385","0.0622","","","0.1417","0.1864","","","","","","0.992","","","","has coordinates,has disorder","304241","2026-02-12","21:14:58",""
"1576480","5.8549","0.0006","10.5165","0.0009","18.8417","0.0017","90","","90","","90","","1160.14","0.19","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C11 H10 F N O3 S -","- C11 H10 F N O3 S -","- C44 H40 F4 N4 O12 S4 -","4","1","","Yamamoto, Daiki; Yamasaki, Shun; Hashimoto, Takuya","Se-catalyzed enantioselective lactamization enabled by a <i>N</i>-fluorosulfonyl group: total synthesis of diaporisoindole A.","Chemical science","2026","17","6","3313","3319","10.1039/d5sc08502k","","x-ray","0.71073","MoKα","","0.0521","0.044","","","0.1204","0.1248","","","","","","1.103","","","","has coordinates","304242","2026-02-12","21:16:48",""
"1576481","7.3211","0.0001","8.0126","0.0001","11.5027","0.0001","81.753","0.001","75.228","0.001","78.644","0.001","636.584","0.013","170","0.1","170","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C11 H11 F I N O3 S -","- C11 H11 F I N O3 S -","- C22 H22 F2 I2 N2 O6 S2 -","2","1","","Yamamoto, Daiki; Yamasaki, Shun; Hashimoto, Takuya","Se-catalyzed enantioselective lactamization enabled by a <i>N</i>-fluorosulfonyl group: total synthesis of diaporisoindole A.","Chemical science","2026","17","6","3313","3319","10.1039/d5sc08502k","","x-ray","1.54184","CuKα","","0.0263","0.0261","","","0.0668","0.0669","","","","","","1.066","","","","has coordinates","304242","2026-02-12","21:16:48",""
"1576482","7.4669","0.0006","7.9789","0.0005","9.334","0.0008","90","","109.895","0.009","90","","522.91","0.08","169.99","0.1","169.99","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C10 H8 F N O3 S -","- C10 H8 F N O3 S -","- C20 H16 F2 N2 O6 S2 -","2","1","","Yamamoto, Daiki; Yamasaki, Shun; Hashimoto, Takuya","Se-catalyzed enantioselective lactamization enabled by a <i>N</i>-fluorosulfonyl group: total synthesis of diaporisoindole A.","Chemical science","2026","17","6","3313","3319","10.1039/d5sc08502k","","x-ray","0.71073","MoKα","","0.0412","0.0358","","","0.0792","0.0821","","","","","","1.059","","","","has coordinates","304242","2026-02-12","21:16:49",""
"1576483","14.3378","0.0005","5.8654","0.0002","21.9011","0.0008","90","","105.905","0.004","90","","1771.31","0.11","169.99","0.1","169.99","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C5 H7 F I N O3 S -","- C5 H7 F I N O3 S -","- C40 H56 F8 I8 N8 O24 S8 -","8","1","","Yamamoto, Daiki; Yamasaki, Shun; Hashimoto, Takuya","Se-catalyzed enantioselective lactamization enabled by a <i>N</i>-fluorosulfonyl group: total synthesis of diaporisoindole A.","Chemical science","2026","17","6","3313","3319","10.1039/d5sc08502k","","x-ray","1.54184","CuKα","","0.0342","0.0321","","","0.0833","0.085","","","","","","1.079","","","","has coordinates,has disorder","304242","2026-02-12","21:16:49",""
"1576484","7.6473","0.0002","7.7662","0.0003","10.9617","0.0004","74.713","0.003","77.55","0.003","77.289","0.003","603.94","0.04","170","0.1","170","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C20 H18 F2 I2 N2 O6 S2 -","- C20 H18 F2 I2 N2 O6 S2 -","- C20 H18 F2 I2 N2 O6 S2 -","1","0.5","","Yamamoto, Daiki; Yamasaki, Shun; Hashimoto, Takuya","Se-catalyzed enantioselective lactamization enabled by a <i>N</i>-fluorosulfonyl group: total synthesis of diaporisoindole A.","Chemical science","2026","17","6","3313","3319","10.1039/d5sc08502k","","x-ray","1.54184","CuKα","","0.0375","0.0361","","","0.098","0.1009","","","","","","0.787","","","","has coordinates","304242","2026-02-12","21:16:49",""
"1576485","10.9165","0.0001","16.1273","0.0002","12.2969","0.0001","90","","91.946","0.001","90","","2163.67","0.04","170","0.1","170","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 F N O7 S -","- C22 H24 F N O7 S -","- C88 H96 F4 N4 O28 S4 -","4","1","","Yamamoto, Daiki; Yamasaki, Shun; Hashimoto, Takuya","Se-catalyzed enantioselective lactamization enabled by a <i>N</i>-fluorosulfonyl group: total synthesis of diaporisoindole A.","Chemical science","2026","17","6","3313","3319","10.1039/d5sc08502k","","x-ray","1.54184","CuKα","","0.0381","0.0345","","","0.0868","0.089","","","","","","1.068","","","","has coordinates","304242","2026-02-12","21:16:49",""
"1576486","29.5583","0.0009","7.7632","0.0002","37.7963","0.0011","90","","110.197","0.003","90","","8139.7","0.4","100","2","100","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C52 H56 Si2 -","- C52 H56 Si2 -","- C416 H448 Si16 -","8","1","","Dhbaibi, Kais; Le Thi, Huong; Marrot, Jérôme; Hayakawa, Masahiro; Mamada, Masashi; Frigoli, Michel","High brightness in bis(tri-isopropylsilyl)ethynyl-functionalized polycyclic aromatic hydrocarbons: localized representation <i>versus</i> Clar's model.","Chemical science","2026","17","13","6653","6661","10.1039/d5sc09423b","","","0.81022","Synchrotron","","0.1072","0.0601","","","0.137","0.1581","","","","","","1.019","","","","has coordinates","305330","2026-04-05","11:52:20",""
"1576487","28.6941","0.0014","17.8984","0.0009","9.3498","0.0005","90","","94.361","0.002","90","","4788","0.4","200","","200","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C60 H60 Si2 -","- C60 H60 Si2 -","- C240 H240 Si8 -","4","0.5","","Dhbaibi, Kais; Le Thi, Huong; Marrot, Jérôme; Hayakawa, Masahiro; Mamada, Masashi; Frigoli, Michel","High brightness in bis(tri-isopropylsilyl)ethynyl-functionalized polycyclic aromatic hydrocarbons: localized representation <i>versus</i> Clar's model.","Chemical science","2026","17","13","6653","6661","10.1039/d5sc09423b","","","0.71073","MoKα","","0.0897","0.0565","","","0.1402","0.1649","","","","","","1.045","","","","has coordinates","305330","2026-04-05","11:52:20",""
"1576488","6.957","0.0008","34.975","0.004","15.1996","0.0014","90","","95.349","0.009","90","","3682.3","0.7","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C44 H52 Si2 -","- C44 H52 Si2 -","- C176 H208 Si8 -","4","1","","Dhbaibi, Kais; Le Thi, Huong; Marrot, Jérôme; Hayakawa, Masahiro; Mamada, Masashi; Frigoli, Michel","High brightness in bis(tri-isopropylsilyl)ethynyl-functionalized polycyclic aromatic hydrocarbons: localized representation <i>versus</i> Clar's model.","Chemical science","2026","17","13","6653","6661","10.1039/d5sc09423b","","","1.54184","CuKα","","0.1762","0.1329","","","0.3508","0.385","","","","","","1.042","","","","has coordinates,has disorder","305330","2026-04-05","11:52:20",""
"1576489","11.564","0.0018","14.4027","0.0014","14.293","0.0016","109.799","0.01","109.889","0.011","96.067","0.009","2039.5","0.5","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H10 N4 Zn -","- C14 N4 Zn -","- C84 N24 Zn6 -","6","3","","Koutsianos, Athanasios; Svensson Grape, Erik; Pallach, Roman; Keupp, Julian; Schmid, Rochus; Inge, A. Ken; Henke, Sebastian","Deciphering the guest-free crystal structures and thermal breathing of the flexible metal-organic frameworks ZIF-7 and ZIF-9.","Chemical science","2026","17","14","7185","7193","10.1039/d5sc08614k","powder diffraction","x-ray","1.5406","CuKα","","","","","","","","","0.0121","2.42403","","","","","","","has coordinates","305777","2026-05-05","08:55:50",""
"1576490","11.3961","0.0017","14.3123","0.0013","14.2295","0.0016","109.831","0.01","109.636","0.009","95.513","0.009","1997.7","0.5","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H10 Co N4 -","- C14 Co N4 -","- C84 Co6 N24 -","6","3","","Koutsianos, Athanasios; Svensson Grape, Erik; Pallach, Roman; Keupp, Julian; Schmid, Rochus; Inge, A. Ken; Henke, Sebastian","Deciphering the guest-free crystal structures and thermal breathing of the flexible metal-organic frameworks ZIF-7 and ZIF-9.","Chemical science","2026","17","14","7185","7193","10.1039/d5sc08614k","powder diffraction","x-ray","0.6199","Synchrotron","","","","","","","","","0.0136","0.18683","","","","","","","has coordinates","305777","2026-05-05","08:55:50",""
"1576491","11.34","0.002","14.68","0.003","14.61","0.003","111.07","0.03","108.14","0.03","94.47","0.03","2106.7","1","96","2","96","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H30 Co3 N12 -","- C42 H30 Co3 N12 -","- C84 H60 Co6 N24 -","2","1","","Koutsianos, Athanasios; Svensson Grape, Erik; Pallach, Roman; Keupp, Julian; Schmid, Rochus; Inge, A. Ken; Henke, Sebastian","Deciphering the guest-free crystal structures and thermal breathing of the flexible metal-organic frameworks ZIF-7 and ZIF-9.","Chemical science","2026","17","14","7185","7193","10.1039/d5sc08614k","","","0.0251","electron","","0.199","0.1501","","","0.3922","0.4509","","","","","","1.064","","","","has coordinates","305777","2026-05-05","08:55:50",""
"1576492","11.71","0.002","14.85","0.003","14.93","0.003","111.08","0.03","108.69","0.03","94.67","0.03","2237.2","1.1","96","2","96","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H30 N12 Zn3 -","- C42 H30 N12 Zn3 -","- C84 H60 N24 Zn6 -","2","1","","Koutsianos, Athanasios; Svensson Grape, Erik; Pallach, Roman; Keupp, Julian; Schmid, Rochus; Inge, A. Ken; Henke, Sebastian","Deciphering the guest-free crystal structures and thermal breathing of the flexible metal-organic frameworks ZIF-7 and ZIF-9.","Chemical science","2026","17","14","7185","7193","10.1039/d5sc08614k","","","0.0251","electron","","0.231","0.1661","","","0.4142","0.471","","","","","","1.076","","","","has coordinates","305777","2026-05-05","08:55:50",""
"1576493","9.7587","0.0016","14.161","0.003","9.8462","0.0015","90","","102.373","0.009","90","","1329.1","0.4","170","","170","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C54 H58 F6 O6 S2 Si2 -","- C54 H58 F6 O6 S2 Si2 -","- C54 H58 F6 O6 S2 Si2 -","1","0.5","","Chen, Zhe; Zhang, Junjie; Wang, Chuan","Reductive desymmetric silylation of biaryl bis(triflates) enabled by a chiral nickel/picolinamide complex.","Chemical science","2026","17","13","6710","6716","10.1039/d5sc09250g","","","1.34139","GaKα","","0.0616","0.059","","","0.1538","0.1598","","","","","","1.075","","","","has coordinates","305332","2026-04-05","11:52:29",""
"1576494","9.0699","0.0001","17.0862","0.0003","19.4067","0.0003","90","","90","","90","","3007.46","0.08","170","","170","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H29 Cl2 N5 Ni O2 -","- C29 H29 Cl2 N5 Ni O2 -","- C116 H116 Cl8 N20 Ni4 O8 -","4","1","","Chen, Zhe; Zhang, Junjie; Wang, Chuan","Reductive desymmetric silylation of biaryl bis(triflates) enabled by a chiral nickel/picolinamide complex.","Chemical science","2026","17","13","6710","6716","10.1039/d5sc09250g","","","1.34139","GaKα","","0.0528","0.0419","","","0.1053","0.1111","","","","","","1.091","","","","has coordinates","305332","2026-04-05","11:52:29",""
"1576495","9.1143","0.0005","7.2877","0.0003","12.1106","0.0006","90","","98.273","0.002","90","","796.04","0.07","296","2","296","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H20 O S -","- C19 H20 O S -","- C38 H40 O2 S2 -","2","1","","Yuwen, Liyan; Tang, Jiazhong; Qi, Yayu; Zou, Tianyi; Zhang, Shaotong; Zhang, Ya-Qian; Zhang, Qing-Wei","Diastereoselective synthesis of cyclopropyl sulfoxides <i>via</i> hydrosulfenation.","Chemical science","2026","17","6","3171","3177","10.1039/d5sc08731g","","","0.71073","MoKα","","0.0563","0.0424","","","0.0952","0.1027","","","","","","1.041","","","","has coordinates","304246","2026-02-12","21:18:56",""
"1576496","10.1006","0.0003","10.2657","0.0004","17.658","0.0008","90","","90","","90","","1830.95","0.12","170","","170","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H25 F O3 S -","- C19 H25 F O3 S -","- C76 H100 F4 O12 S4 -","4","1","","Yuwen, Liyan; Tang, Jiazhong; Qi, Yayu; Zou, Tianyi; Zhang, Shaotong; Zhang, Ya-Qian; Zhang, Qing-Wei","Diastereoselective synthesis of cyclopropyl sulfoxides <i>via</i> hydrosulfenation.","Chemical science","2026","17","6","3171","3177","10.1039/d5sc08731g","","","1.34139","GaKα","","0.0786","0.0714","","","0.1743","0.1806","","","","","","1.053","","","","has coordinates","304246","2026-02-12","21:18:57",""
"1576497","6.9914","0.0001","8.3848","0.0002","30.4141","0.0006","90","","90","","90","","1782.92","0.06","170","","170","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H25 F O3 S -","- C19 H25 F O3 S -","- C76 H100 F4 O12 S4 -","4","1","","Yuwen, Liyan; Tang, Jiazhong; Qi, Yayu; Zou, Tianyi; Zhang, Shaotong; Zhang, Ya-Qian; Zhang, Qing-Wei","Diastereoselective synthesis of cyclopropyl sulfoxides <i>via</i> hydrosulfenation.","Chemical science","2026","17","6","3171","3177","10.1039/d5sc08731g","","","1.34139","GaKα","","0.0452","0.0426","","","0.0975","0.0988","","","","","","1.125","","","","has coordinates","304246","2026-02-12","21:18:57",""
"1576498","5.918","0.0003","8.0256","0.0004","16.8884","0.0009","90","","98.632","0.002","90","","793.04","0.07","170","","170","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36 H40 O4 S2 -","- C36 H40 O4 S2 -","- C36 H40 O4 S2 -","1","0.5","","Yuwen, Liyan; Tang, Jiazhong; Qi, Yayu; Zou, Tianyi; Zhang, Shaotong; Zhang, Ya-Qian; Zhang, Qing-Wei","Diastereoselective synthesis of cyclopropyl sulfoxides <i>via</i> hydrosulfenation.","Chemical science","2026","17","6","3171","3177","10.1039/d5sc08731g","","","1.34139","GaKα","","0.05","0.043","","","0.1003","0.1087","","","","","","1.052","","","","has coordinates","304246","2026-02-12","21:18:57",""
"1576499","17.922","0.0005","17.922","0.0005","11.4729","0.0005","90","","90","","120","","3191.37","0.19","170","","170","","","","","","","","","4","P 65","P 65","170","","","","- C22 H26 O S -","- C22 H26 O S -","- C132 H156 O6 S6 -","6","1","","Yuwen, Liyan; Tang, Jiazhong; Qi, Yayu; Zou, Tianyi; Zhang, Shaotong; Zhang, Ya-Qian; Zhang, Qing-Wei","Diastereoselective synthesis of cyclopropyl sulfoxides <i>via</i> hydrosulfenation.","Chemical science","2026","17","6","3171","3177","10.1039/d5sc08731g","","","1.34139","GaKα","","0.0666","0.0474","","","0.107","0.1158","","","","","","1.014","","","","has coordinates","304246","2026-02-12","21:18:57",""
"1576500","9.6464","0.0003","13.1116","0.0004","13.2323","0.0005","60.773","0.002","76.19","0.002","83.758","0.002","1418.27","0.09","170","","170","","","","","","","","","4","P -1","-P 1","2","","","","- C42 H26 B N3 -","- C42 H26 B N3 -","- C84 H52 B2 N6 -","2","1","","Qi, Hengxuan; Liu, Hao; Li, Deli; Wu, Lin; Zhang, Jiasen; Li, Huaxin; Xin, Ziru; Xia, Chao; Peng, Ruixiang; Wang, Wenjun; Zhao, Zujin; Li, Wei; Ge, Ziyi","Single-B/N MR-TADF emitters enhancing electroluminescence efficiency <i>via</i> a ""terminal engineering"" strategy.","Chemical science","2026","17","14","6972","6982","10.1039/d5sc10069k","","","1.54178","CuKα","","0.0751","0.0626","","","0.1538","0.1625","","","","","","1.151","","","","has coordinates","305774","2026-05-05","08:54:47",""
"1576501","5.741","0.0004","20.0142","0.0014","34.391","0.003","90","","91.849","0.005","90","","3949.5","0.5","130","","130","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C54 H48 B N3 -","- C54 H48 B N3 -","- C216 H192 B4 N12 -","4","1","","Qi, Hengxuan; Liu, Hao; Li, Deli; Wu, Lin; Zhang, Jiasen; Li, Huaxin; Xin, Ziru; Xia, Chao; Peng, Ruixiang; Wang, Wenjun; Zhao, Zujin; Li, Wei; Ge, Ziyi","Single-B/N MR-TADF emitters enhancing electroluminescence efficiency <i>via</i> a ""terminal engineering"" strategy.","Chemical science","2026","17","14","6972","6982","10.1039/d5sc10069k","","","1.54178","CuKα","","0.1103","0.0893","","","0.201","0.2139","","","","","","1.082","","","","has coordinates","305774","2026-05-05","08:54:47",""
"1576502","35.034","0.003","5.355","0.0005","33.077","0.003","90","","117.999","0.005","90","","5479.2","0.9","170","","170","","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C42 H24 B N3 -","- C42 H24 B N3 -","- C336 H192 B8 N24 -","8","2","","Qi, Hengxuan; Liu, Hao; Li, Deli; Wu, Lin; Zhang, Jiasen; Li, Huaxin; Xin, Ziru; Xia, Chao; Peng, Ruixiang; Wang, Wenjun; Zhao, Zujin; Li, Wei; Ge, Ziyi","Single-B/N MR-TADF emitters enhancing electroluminescence efficiency <i>via</i> a ""terminal engineering"" strategy.","Chemical science","2026","17","14","6972","6982","10.1039/d5sc10069k","","","1.54178","CuKα","","0.1158","0.0771","","","0.1794","0.1986","","","","","","1.096","","","","has coordinates","305774","2026-05-05","08:54:47",""
"1576503","6.1607","0.0001","16.4581","0.0002","33.3457","0.0004","90","","90","","90","","3381.03","0.08","149.99","0.1","149.99","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H55 O2 P Si -","- C37 H55 O2 P Si -","- C148 H220 O8 P4 Si4 -","4","1","","Wang, Yuquan; Yin, Kai; Pang, Xiaobo; Shu, Xing-Zhong","Deoxygenative phosphonation of ketones by titanium.","Chemical science","2026","17","14","7236","7243","10.1039/d5sc09520d","","x-ray","1.54184","CuKα","","0.0313","0.0299","","","0.0753","0.0763","","","","","","1.045","","","","has coordinates","306333","2026-06-05","18:38:02",""
"1576504","68.988","0.004","16.9569","0.001","10.6338","0.0011","90","","93.366","0.006","90","","12418.2","1.6","105","2","105","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C72 H54 Cl4 N2 O2 -","- C72 H54 Cl4 N2 O2 -","- C576 H432 Cl32 N16 O16 -","8","1","","Xiang, Xiaoshuang; Hermann, Mathias; Ye, Lei; Seitz, Philipp; Estaque, Lilian; Pieters, Grégory; Drewello, Thomas; Esser, Birgit","Diketo[<i>n</i>]CPPs as chiral and shape-adaptive fullerene hosts and precursors to DBP[<i>n</i>]CPPs.","Chemical science","2026","17","13","6677","6687","10.1039/d5sc05305f","","x-ray","0.56","synchrotron","","0.2396","0.2189","","","0.5321","0.565","","","","","","1.06","","","","has coordinates,has disorder","305325","2026-04-05","11:51:43",""
"1576505","33.9339","0.0007","9.7569","0.0002","34.8054","0.0008","90","","106.6","0.002","90","","11043.4","0.4","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C132 H47 N O2 -","- C132 H47 N O2 -","- C528 H188 N4 O8 -","4","1","","Xiang, Xiaoshuang; Hermann, Mathias; Ye, Lei; Seitz, Philipp; Estaque, Lilian; Pieters, Grégory; Drewello, Thomas; Esser, Birgit","Diketo[<i>n</i>]CPPs as chiral and shape-adaptive fullerene hosts and precursors to DBP[<i>n</i>]CPPs.","Chemical science","2026","17","13","6677","6687","10.1039/d5sc05305f","","x-ray","1.54184","CuKα","","0.1567","0.1425","","","0.4572","0.4756","","","","","","1.593","","","","has coordinates,has disorder","305325","2026-04-05","11:51:43",""
"1576506","10.3442","0.0003","17.7628","0.0006","37.0847","0.001","90","","91.107","0.003","90","","6812.7","0.4","150","0.14","150","0.14","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C72 H47 N O2 -","- C72 H47 N O2 -","- C288 H188 N4 O8 -","4","2","","Xiang, Xiaoshuang; Hermann, Mathias; Ye, Lei; Seitz, Philipp; Estaque, Lilian; Pieters, Grégory; Drewello, Thomas; Esser, Birgit","Diketo[<i>n</i>]CPPs as chiral and shape-adaptive fullerene hosts and precursors to DBP[<i>n</i>]CPPs.","Chemical science","2026","17","13","6677","6687","10.1039/d5sc05305f","","x-ray","1.54184","CuKα","","0.173","0.1177","","","0.2966","0.3587","","","","","","1.032","","","","has coordinates","305325","2026-04-05","11:51:43",""
"1576507","18.8736","0.0005","31.9978","0.0008","14.3224","0.0004","90","","96.305","0.003","90","","8597.2","0.4","150","2","150","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C105 H105 -","- C84 H56 -","- C336 H224 -","4","1","","Xiang, Xiaoshuang; Hermann, Mathias; Ye, Lei; Seitz, Philipp; Estaque, Lilian; Pieters, Grégory; Drewello, Thomas; Esser, Birgit","Diketo[<i>n</i>]CPPs as chiral and shape-adaptive fullerene hosts and precursors to DBP[<i>n</i>]CPPs.","Chemical science","2026","17","13","6677","6687","10.1039/d5sc05305f","","x-ray","1.54184","CuKα","","0.1226","0.0704","","","0.1788","0.2219","","","","","","0.946","","","","has coordinates","305325","2026-04-05","11:51:43",""
"1576508","10.2979","0.0001","11.7884","0.0001","19.1733","0.0002","90","","90","","90","","2327.56","0.04","275.8","0.1","275.8","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H26 N2 O2 S -","- C27 H26 N2 O2 S -","- C108 H104 N8 O8 S4 -","4","1","","Xiao, Teng-Fei; Jian, Ke-Rui; Gu, Yu-Cheng; Xu, Guo-Qiang; Xu, Peng-Fei","Asymmetric vicinal C(sp<sup>3</sup>)-H difunctionalization of saturated cyclic amines <i>via</i> synergistic photoredox, copper and chiral phosphoric acid catalysis.","Chemical science","2026","17","6","3240","3247","10.1039/d5sc06987d","","x-ray","1.54184","CuKα","","0.039","0.0364","","","0.0956","0.0977","","","","","","1.069","","","","has coordinates","304251","2026-02-12","21:22:59",""
"1576509","9.5986","0.0004","5.3235","0.0002","29.7891","0.001","90","","92.314","0.004","90","","1520.93","0.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H15 N3 O2 -","- C20 H15 N3 O2 -","- C80 H60 N12 O8 -","4","1","","Dharmasivam, Mahendiran; Faiz, Sadia; Kaya, Busra; Wijesinghe, Tharushi P.; Suleymanoglu, Mediha; Azad, Mahan Gholam; Richardson, Vera; Zahoor, Ameer Fawad; Kalinowski, Danuta; Lewis, William; Bernhardt, Paul V.; Anjum, Rukhsana; Richardson, Des R.","Implementing the design cues of dissociation dynamics and transmetalation in gallium(iii) complexes to promote the anti-proliferative activity of ligands targeting intracellular iron(ii) trafficking.","Chemical science","2026","17","13","6546","6563","10.1039/d5sc06084b","","x-ray","1.54184","CuKα","","0.0478","0.0382","","","0.0947","0.1017","","","","","","1.028","","","","has coordinates","305328","2026-04-05","11:52:07",""
"1576510","6.0168","0.0005","18.9903","0.0019","16.5285","0.0014","90","","99.923","0.008","90","","1860.3","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 N4 O2 -","- C24 H16 N4 O2 -","- C96 H64 N16 O8 -","4","1","","Dharmasivam, Mahendiran; Faiz, Sadia; Kaya, Busra; Wijesinghe, Tharushi P.; Suleymanoglu, Mediha; Azad, Mahan Gholam; Richardson, Vera; Zahoor, Ameer Fawad; Kalinowski, Danuta; Lewis, William; Bernhardt, Paul V.; Anjum, Rukhsana; Richardson, Des R.","Implementing the design cues of dissociation dynamics and transmetalation in gallium(iii) complexes to promote the anti-proliferative activity of ligands targeting intracellular iron(ii) trafficking.","Chemical science","2026","17","13","6546","6563","10.1039/d5sc06084b","","x-ray","1.54184","CuKα","K-L~2,3~","0.1153","0.0781","","","0.1714","0.1872","","","","","","1.141","","","","has coordinates,has disorder","305328","2026-04-05","11:52:07",""
"1576511","11.948","0.0004","8.2148","0.0003","14.0992","0.0005","90","","104.638","0.004","90","","1338.93","0.09","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 N4 O S -","- C13 H16 N4 O S -","- C52 H64 N16 O4 S4 -","4","1","","Dharmasivam, Mahendiran; Faiz, Sadia; Kaya, Busra; Wijesinghe, Tharushi P.; Suleymanoglu, Mediha; Azad, Mahan Gholam; Richardson, Vera; Zahoor, Ameer Fawad; Kalinowski, Danuta; Lewis, William; Bernhardt, Paul V.; Anjum, Rukhsana; Richardson, Des R.","Implementing the design cues of dissociation dynamics and transmetalation in gallium(iii) complexes to promote the anti-proliferative activity of ligands targeting intracellular iron(ii) trafficking.","Chemical science","2026","17","13","6546","6563","10.1039/d5sc06084b","","x-ray","1.54184","CuKα","K-L~2,3~","0.0333","0.0306","","","0.0821","0.084","","","","","","1.054","","","","has coordinates","305328","2026-04-05","11:52:07",""
"1576512","11.6154","0.0011","11.9297","0.0012","11.8935","0.0012","118.435","0.003","91.579","0.003","114.295","0.003","1268.5","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H19 Cl4 N3 O2 Zn -","- C26 H19 Cl4 N3 O2 Zn -","- C52 H38 Cl8 N6 O4 Zn2 -","2","1","","Dharmasivam, Mahendiran; Faiz, Sadia; Kaya, Busra; Wijesinghe, Tharushi P.; Suleymanoglu, Mediha; Azad, Mahan Gholam; Richardson, Vera; Zahoor, Ameer Fawad; Kalinowski, Danuta; Lewis, William; Bernhardt, Paul V.; Anjum, Rukhsana; Richardson, Des R.","Implementing the design cues of dissociation dynamics and transmetalation in gallium(iii) complexes to promote the anti-proliferative activity of ligands targeting intracellular iron(ii) trafficking.","Chemical science","2026","17","13","6546","6563","10.1039/d5sc06084b","","x-ray","1.54184","CuKα","","0.0961","0.041","","","0.0988","0.1019","","","","","","1.07","","","","has coordinates","305328","2026-04-05","11:52:07",""
"1576513","5.586","0.0004","9.8008","0.0007","27.2637","0.0018","90","","93.122","0.006","90","","1490.4","0.18","100","2","100","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C19 H14 N4 O2 -","- C19 H14 N4 O2 -","- C76 H56 N16 O8 -","4","2","","Dharmasivam, Mahendiran; Faiz, Sadia; Kaya, Busra; Wijesinghe, Tharushi P.; Suleymanoglu, Mediha; Azad, Mahan Gholam; Richardson, Vera; Zahoor, Ameer Fawad; Kalinowski, Danuta; Lewis, William; Bernhardt, Paul V.; Anjum, Rukhsana; Richardson, Des R.","Implementing the design cues of dissociation dynamics and transmetalation in gallium(iii) complexes to promote the anti-proliferative activity of ligands targeting intracellular iron(ii) trafficking.","Chemical science","2026","17","13","6546","6563","10.1039/d5sc06084b","","x-ray","1.54184","CuKα","K-L~2,3~","0.0978","0.0888","","","0.2455","0.252","","","","","","1.08","","","","has coordinates","305328","2026-04-05","11:52:07",""
"1576514","14.6062","0.0012","5.3852","0.0004","19.6687","0.0012","90","","92.433","0.007","90","","1545.7","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H16 N2 O2 -","- C21 H16 N2 O2 -","- C84 H64 N8 O8 -","4","1","","Dharmasivam, Mahendiran; Faiz, Sadia; Kaya, Busra; Wijesinghe, Tharushi P.; Suleymanoglu, Mediha; Azad, Mahan Gholam; Richardson, Vera; Zahoor, Ameer Fawad; Kalinowski, Danuta; Lewis, William; Bernhardt, Paul V.; Anjum, Rukhsana; Richardson, Des R.","Implementing the design cues of dissociation dynamics and transmetalation in gallium(iii) complexes to promote the anti-proliferative activity of ligands targeting intracellular iron(ii) trafficking.","Chemical science","2026","17","13","6546","6563","10.1039/d5sc06084b","","x-ray","1.54184","CuKα","K-L~2,3~","0.0629","0.0526","","","0.1396","0.1459","","","","","","1.096","","","","has coordinates","305328","2026-04-05","11:52:07",""
"1576515","10.6903","0.0005","18.2865","0.0007","8.5178","0.0004","90","","108.1","0.005","90","","1582.73","0.13","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H14 N2 O2 S -","- C19 H14 N2 O2 S -","- C76 H56 N8 O8 S4 -","4","1","","Dharmasivam, Mahendiran; Faiz, Sadia; Kaya, Busra; Wijesinghe, Tharushi P.; Suleymanoglu, Mediha; Azad, Mahan Gholam; Richardson, Vera; Zahoor, Ameer Fawad; Kalinowski, Danuta; Lewis, William; Bernhardt, Paul V.; Anjum, Rukhsana; Richardson, Des R.","Implementing the design cues of dissociation dynamics and transmetalation in gallium(iii) complexes to promote the anti-proliferative activity of ligands targeting intracellular iron(ii) trafficking.","Chemical science","2026","17","13","6546","6563","10.1039/d5sc06084b","","x-ray","1.54184","CuKα","K-L~2,3~","0.0659","0.0497","","","0.1258","0.1358","","","","","","1.046","","","","has coordinates,has disorder","305328","2026-04-05","11:52:07",""
"1576516","4.4595","0.0002","24.1919","0.0008","17.1497","0.0006","90","","90.031","0.004","90","","1850.17","0.12","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H17 N3 O2 -","- C25 H17 N3 O2 -","- C100 H68 N12 O8 -","4","1","","Dharmasivam, Mahendiran; Faiz, Sadia; Kaya, Busra; Wijesinghe, Tharushi P.; Suleymanoglu, Mediha; Azad, Mahan Gholam; Richardson, Vera; Zahoor, Ameer Fawad; Kalinowski, Danuta; Lewis, William; Bernhardt, Paul V.; Anjum, Rukhsana; Richardson, Des R.","Implementing the design cues of dissociation dynamics and transmetalation in gallium(iii) complexes to promote the anti-proliferative activity of ligands targeting intracellular iron(ii) trafficking.","Chemical science","2026","17","13","6546","6563","10.1039/d5sc06084b","","x-ray","1.54184","CuKα","K-L~2,3~","0.064","0.0446","","","0.114","0.1295","","","","","","1.031","","","","has coordinates","305328","2026-04-05","11:52:07",""
"1576517","11.0201","0.0007","13.1886","0.0008","15.303","0.001","100.628","0.003","90.218","0.003","106.976","0.003","2086.8","0.2","200","","200","","","","","","","","","6","P -1","-P 1","2","","","","- C98 H90 Br2 Cu2 N2 P4 -","- C98 H90 Br2 Cu2 N2 P4 -","- C98 H90 Br2 Cu2 N2 P4 -","1","0.5","","Li, Xiao; Guo, Sai; Liu, Xin; Sun, Yu-Fu; Zhang, Dong-Hai; Yang, Hui; Lu, Jia-Min; Chen, Xu-Lin","Suppressing nonradiative decay <i>via</i> molecular configuration control in Cu(i)-halide clusters enables the fabrication of highly efficient green and green-sensitized blue OLEDs.","Chemical science","2026","17","13","6477","6487","10.1039/d5sc09307d","","","0.71073","MoKα","","0.127","0.0557","","","0.1099","0.1388","","","","","","1.015","","","","has coordinates","305329","2026-04-05","11:52:14",""
"1576518","14.69","0.005","15.389","0.005","18.808","0.006","89.86","0.013","80.343","0.012","77.503","0.013","4090","2","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C90 H70 Br2 Cu2 N2 P4 -","- C90 H70 Br2 Cu2 N2 P4 -","- C180 H140 Br4 Cu4 N4 P8 -","2","1","","Li, Xiao; Guo, Sai; Liu, Xin; Sun, Yu-Fu; Zhang, Dong-Hai; Yang, Hui; Lu, Jia-Min; Chen, Xu-Lin","Suppressing nonradiative decay <i>via</i> molecular configuration control in Cu(i)-halide clusters enables the fabrication of highly efficient green and green-sensitized blue OLEDs.","Chemical science","2026","17","13","6477","6487","10.1039/d5sc09307d","","","0.71073","MoKα","","0.0583","0.0402","","","0.0933","0.1023","","","","","","1.027","","","","has coordinates","305329","2026-04-05","11:52:14",""
"1576519","12.5737","0.0014","15.727","0.0017","16.9192","0.0018","82.334","0.006","83.447","0.006","77.717","0.006","3227.2","0.6","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C39 H44 N2 Zn -","- C39 H44 N2 Zn -","- C156 H176 N8 Zn4 -","4","2","","Iwamoto, Hidemitsu; Sunada, Yusuke; Wada, Yoshimasa","Zincafluorene complex with an empty C-Zn π orbital that captures visible light.","Chemical science","2026","17","6","3023","3030","10.1039/d5sc09340f","","","0.4144","synchrotron","","0.0626","0.0436","","","0.1053","0.1141","","","","","","1.036","","","","has coordinates","304254","2026-02-12","21:25:03",""
"1576520","16.0503","0.0004","18.7163","0.0005","26.6927","0.0007","90","","90","","90","","8018.5","0.4","173","","173","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","C49H59NZn","","- C49 H59 N Zn -","- C49 H59 N Zn -","- C392 H472 N8 Zn8 -","8","1","","Iwamoto, Hidemitsu; Sunada, Yusuke; Wada, Yoshimasa","Zincafluorene complex with an empty C-Zn π orbital that captures visible light.","Chemical science","2026","17","6","3023","3030","10.1039/d5sc09340f","","x-ray","0.71073","MoKα","","0.0683","0.0457","","","0.1509","0.1626","","","","","","1.187","","","","has coordinates,has disorder","304254","2026-02-12","21:25:04",""
"1576521","13.8577","0.0004","16.6434","0.0004","14.0019","0.0004","90","","92.432","0.003","90","","3226.48","0.15","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","C37H48NOZn","C37H48NOZn","","- C37 H48 N O Zn -","- C37 H48 N O Zn -","- C148 H192 N4 O4 Zn4 -","4","1","","Iwamoto, Hidemitsu; Sunada, Yusuke; Wada, Yoshimasa","Zincafluorene complex with an empty C-Zn π orbital that captures visible light.","Chemical science","2026","17","6","3023","3030","10.1039/d5sc09340f","","x-ray","0.71073","MoKα","","0.053","0.0376","","","0.1188","0.1289","","","","","","0.95","","","","has coordinates","304254","2026-02-12","21:25:04",""
"1576522","12.6466","0.0001","15.9905","0.0001","17.0143","0.0001","83.503","0.001","84.141","0.001","78.022","0.001","3333.24","0.04","123","","123","","","","","","","","","4","P -1","-P 1","2","","C39H46N2Zn","","- C39 H46 N2 Zn -","- C39 H46 N2 Zn -","- C156 H184 N8 Zn4 -","4","2","","Iwamoto, Hidemitsu; Sunada, Yusuke; Wada, Yoshimasa","Zincafluorene complex with an empty C-Zn π orbital that captures visible light.","Chemical science","2026","17","6","3023","3030","10.1039/d5sc09340f","","x-ray","0.71073","MoKα","","0.0758","0.06","","","0.1586","0.1645","","","","","","1.249","","","","has coordinates","304254","2026-02-12","21:25:04",""
"1576523","17.7824","0.0005","17.7824","0.0005","46.121","0.002","90","","90","","120","","12630.2","0.7","200","","200","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C75 H69 Ag3 N14 O12 S3 -","- C75 H69 Ag3 N14 O12 S3 -","- C450 H414 Ag18 N84 O72 S18 -","6","0.333333","","Liu, Jin; Nan, Zi-Ang; Li, Qing; Shen, Chuan-Qi; Wang, Zuo-Bei; Lin, Fu-Lin; Chen, Ting; Liu, Lu-Yao; Xie, Zhuo-Zhou; Zhuo, Zhu; Wang, Wei; Huang, You-Gui","Unlocking spontaneous chiral resolution in silver clusters through steric and anionic control.","Chemical science","2026","17","10","4948","4954","10.1039/d5sc08561f","","","0.71073","MoKα","","0.0651","0.0507","","","0.1404","0.1534","","","","","","1.034","","","","has coordinates,has disorder","305324","2026-04-05","11:48:09",""
"1576524","13.5048","0.0015","15.8262","0.0017","20.59","0.003","104.418","0.003","97.72","0.003","112.87","0.003","3793.1","0.8","200","","200","","","","","","","","","7","P -1","-P 1","2","","","","- C63 H72 Ag3 F3 N14 O9 S3 -","- C63 H72 Ag3 F3 N14 O9 S3 -","- C126 H144 Ag6 F6 N28 O18 S6 -","2","1","","Liu, Jin; Nan, Zi-Ang; Li, Qing; Shen, Chuan-Qi; Wang, Zuo-Bei; Lin, Fu-Lin; Chen, Ting; Liu, Lu-Yao; Xie, Zhuo-Zhou; Zhuo, Zhu; Wang, Wei; Huang, You-Gui","Unlocking spontaneous chiral resolution in silver clusters through steric and anionic control.","Chemical science","2026","17","10","4948","4954","10.1039/d5sc08561f","","","0.71073","MoKα","","0.1257","0.0757","","","0.2066","0.2509","","","","","","1.035","","","","has coordinates,has disorder","305324","2026-04-05","11:48:09",""
"1576525","35.0187","0.0002","35.0187","0.0002","51.3873","0.0004","90","","90","","90","","63016.7","0.7","100","0.1","100","0.1","","","","","","","","7","P 43 21 2","P 4nw 2abw","96","","","","- C252 H264 Ag12 F36 N56 O36 S12 -","- C252 H264 Ag12 F36 N56 O36 S12 -","- C2016 H2112 Ag96 F288 N448 O288 S96 -","8","1","","Liu, Jin; Nan, Zi-Ang; Li, Qing; Shen, Chuan-Qi; Wang, Zuo-Bei; Lin, Fu-Lin; Chen, Ting; Liu, Lu-Yao; Xie, Zhuo-Zhou; Zhuo, Zhu; Wang, Wei; Huang, You-Gui","Unlocking spontaneous chiral resolution in silver clusters through steric and anionic control.","Chemical science","2026","17","10","4948","4954","10.1039/d5sc08561f","","x-ray","1.54184","CuKα","","0.1196","0.0882","","","0.2443","0.2651","","","","","","1.06","","","","has coordinates,has disorder","305324","2026-04-05","11:48:09",""
"1576526","35.2602","0.0013","35.2602","0.0013","51.837","0.003","90","","90","","90","","64448","5","293","2","293","2","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C252 H264 Ag12 F36 N56 O36 S12 -","- C252 H264 Ag12 F36 N56 O36 S12 -","- C2016 H2112 Ag96 F288 N448 O288 S96 -","8","1","","Liu, Jin; Nan, Zi-Ang; Li, Qing; Shen, Chuan-Qi; Wang, Zuo-Bei; Lin, Fu-Lin; Chen, Ting; Liu, Lu-Yao; Xie, Zhuo-Zhou; Zhuo, Zhu; Wang, Wei; Huang, You-Gui","Unlocking spontaneous chiral resolution in silver clusters through steric and anionic control.","Chemical science","2026","17","10","4948","4954","10.1039/d5sc08561f","","","0.71073","MoKα","","0.1335","0.0793","","","0.2212","0.2674","","","","","","1.026","","","","has coordinates","305324","2026-04-05","11:48:09",""
"1576527","27.1868","0.0001","27.1868","0.0001","27.1868","0.0001","90","","90","","90","","20094.4","0.13","100","0.1","100.15","","","","","","","","","7","P 43 3 2","P 4acd 2ab 3","212","","","","- C75 H54 Ag3 F9 N14 O9 S3 -","- C74.9999 H54 Ag3 F8.9997 N14 O8.9997 S3 -","- C599.999 H432 Ag24 F71.9976 N112 O71.9976 S24 -","8","0.333333","","Liu, Jin; Nan, Zi-Ang; Li, Qing; Shen, Chuan-Qi; Wang, Zuo-Bei; Lin, Fu-Lin; Chen, Ting; Liu, Lu-Yao; Xie, Zhuo-Zhou; Zhuo, Zhu; Wang, Wei; Huang, You-Gui","Unlocking spontaneous chiral resolution in silver clusters through steric and anionic control.","Chemical science","2026","17","10","4948","4954","10.1039/d5sc08561f","","","0.71073","MoKα","","0.0804","0.0697","","","0.1954","0.2061","","","","","","1.09","","","","has coordinates,has disorder","305324","2026-04-05","11:48:09",""
"1576528","9.14295","0.0001","10.25505","0.00013","20.8149","0.0003","90","","90","","90","","1951.63","0.04","110","0.1","110","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H25 N3 O4 -","- C20 H25 N3 O4 -","- C80 H100 N12 O16 -","4","1","","Hughes, Owen R.; Tufail, Afzaal; Hutton, Esme; Nabarro, Joe; Howarth, Rachel; Yates, Nicholas D.; Whitwood, Adrian C.; Robson, Craig N.; Signoret, Nathalie; Fascione, Martin A.; Spicer, Christopher D.; Unsworth, William P.","N-terminal protein-macrocycles enabled by conjugate addition/ring expansion cascade reactions.","Chemical science","2026","17","6","3320","3328","10.1039/d5sc08044d","","x-ray","1.54184","CuKα","","0.0277","0.0265","","","0.064","0.0645","","","","","","1.029","","","","has coordinates","304256","2026-02-12","21:27:13",""
"1576529","5.6989","0.0006","19.377","0.002","28.148","0.003","90","","90","","90","","3108.3","0.6","230","","230","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H39 Br N4 O4 -","- C32 H39 Br N4 O4 -","- C128 H156 Br4 N16 O16 -","4","1","","Zhou, Changyu; Zhou, Jinmiao; Zhang, Lele; Xie, Wansen; Gu, Huanchao; Liu, Hua; Yang, Xiaoyu","Asymmetric synthesis of planar-chiral metacyclophanes <i>via</i> aromatic amination enabled enantioselective desymmetrization.","Chemical science","2026","17","15","7582","7589","10.1039/d5sc09849a","","x-ray","1.34138","GaKα","","0.1673","0.0788","","","0.1815","0.2331","","","","","","0.967","","","","has coordinates","306336","2026-06-05","18:38:22",""
"1576530","8.6243","0.0003","9.9669","0.0003","16.191","0.0005","78.743","0.001","82.724","0.001","82.149","0.002","1344.99","0.07","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H28 Cl N3 O2 -","- C24 H28 Cl N3 O2 -","- C48 H56 Cl2 N6 O4 -","2","1","","Zhou, Changyu; Zhou, Jinmiao; Zhang, Lele; Xie, Wansen; Gu, Huanchao; Liu, Hua; Yang, Xiaoyu","Asymmetric synthesis of planar-chiral metacyclophanes <i>via</i> aromatic amination enabled enantioselective desymmetrization.","Chemical science","2026","17","15","7582","7589","10.1039/d5sc09849a","","x-ray","1.34138","GaKα","","0.0732","0.0656","","","0.1955","0.2041","","","","","","1.057","","","","has coordinates","306336","2026-06-05","18:38:22",""
"1576531","24.6687","0.0009","19.2311","0.0009","29.3029","0.0015","90","","113.233","0.003","90","","12774.2","1","100","0.2","100","0.2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C92 H188 Dy Mo12 O56 P5 -","- C92 H188 Dy Mo12 O56 P5 -","- C368 H752 Dy4 Mo48 O224 P20 -","4","1","","Lowe, Ethan; Rouzières, Mathieu; Dugmore, Sarah K.; Kelly, Christopher; Wilson, Claire; Canaj, Angelos B.; Clérac, Rodolphe; Murrie, Mark","Highly reducible polyoxometalate-Dy(iii) SMM hybrid materials with exceptional charge stability.","Chemical science","2026","17","6","3248","3258","10.1039/d5sc07950k","","","0.71073","MoKα","","0.0765","0.0691","","","0.1423","0.1461","","","","","","1.116","","","","has coordinates,has disorder","304258","2026-02-12","21:28:03",""
"1576532","24.5974","0.0015","19.2115","0.0012","29.5224","0.0019","90","","113.102","0.002","90","","12832.1","1.4","100","","100","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C72 H142 Dy Mo12 O49 P5 -","- C72 H142 Dy Mo12 O49 P5 -","- C288 H568 Dy4 Mo48 O196 P20 -","4","1","","Lowe, Ethan; Rouzières, Mathieu; Dugmore, Sarah K.; Kelly, Christopher; Wilson, Claire; Canaj, Angelos B.; Clérac, Rodolphe; Murrie, Mark","Highly reducible polyoxometalate-Dy(iii) SMM hybrid materials with exceptional charge stability.","Chemical science","2026","17","6","3248","3258","10.1039/d5sc07950k","","","1.54178","CuKα","","0.0694","0.0686","","","0.1609","0.1617","","","","","","1.028","","","","has coordinates,has disorder","304258","2026-02-12","21:28:03",""
"1576533","70.124","0.014","18.521","0.004","43.849","0.009","90","","119.4","0.03","90","","49615","2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C181.62 H165.62 B6 Cl22.88 N6 O66 -","- C174 H158 B6 N6 O66 -","- C1392 H1264 B48 N48 O528 -","8","1","","Coomber, D.; Rusli, O.; Sharma, H.; Lee, H. E.; Evans, J. D.; Rijs, N. J.; Hua, C.; Pfeffer, F.","A new class of customisable stable boronic ester assemblies.","Chemical science","2026","17","14","6939","6948","10.1039/d5sc08385k","","","0.710749","Synchrotron","","0.2286","0.1758","","","0.4594","0.5001","","","","","","1.485","","","","has coordinates","306330","2026-06-05","18:37:30",""
"1576534","33.899","0.004","33.899","0.004","33.899","0.004","90","","90","","90","","38955","8","100","2","100","2","","","","","","","","4","I 2 3","I 2 2 3","197","","","","- C233.37 H206.28 B8 O48 -","- C233.372 H206.276 B8 O48 -","- C1400.23 H1237.66 B48 O288 -","6","0.25","","Coomber, D.; Rusli, O.; Sharma, H.; Lee, H. E.; Evans, J. D.; Rijs, N. J.; Hua, C.; Pfeffer, F.","A new class of customisable stable boronic ester assemblies.","Chemical science","2026","17","14","6939","6948","10.1039/d5sc08385k","","","0.710922","Synchrotron","","0.1715","0.1543","","","0.3829","0.4208","","","","","","1.681","","","","has coordinates,has disorder","306330","2026-06-05","18:37:30",""
"1576535","15.464","0.003","12.141","0.002","14.284","0.003","90","","92.34","0.03","90","","2679.6","0.9","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C29 H40 O14 -","- C29 H40 O14 -","- C116 H160 O56 -","4","1","","Coomber, D.; Rusli, O.; Sharma, H.; Lee, H. E.; Evans, J. D.; Rijs, N. J.; Hua, C.; Pfeffer, F.","A new class of customisable stable boronic ester assemblies.","Chemical science","2026","17","14","6939","6948","10.1039/d5sc08385k","","","0.710754","Synchrotron","","0.0401","0.0379","","","0.1021","0.105","","","","","","1.061","","","","has coordinates","306330","2026-06-05","18:37:30",""
"1576536","9.626","0.0019","18.312","0.004","22.349","0.005","89.57","0.03","88.27","0.03","78.5","0.03","3858.6","1.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C124.99 H122.96 B4 Cl33 O44 -","- C113.812 H111.436 B4 O44 -","- C113.812 H111.436 B4 O44 -","1","0.5","","Coomber, D.; Rusli, O.; Sharma, H.; Lee, H. E.; Evans, J. D.; Rijs, N. J.; Hua, C.; Pfeffer, F.","A new class of customisable stable boronic ester assemblies.","Chemical science","2026","17","14","6939","6948","10.1039/d5sc08385k","","","0.710749","Synchrotron","","0.1157","0.0948","","","0.2929","0.312","","","","","","1.061","","","","has coordinates,has disorder","306330","2026-06-05","18:37:30",""
"1576537","11.912","0.002","22.398","0.004","26.849","0.005","90","","90","","90","","7163","2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C41 H42 B2 O12 -","- C41 H42 B2 O12 -","- C328 H336 B16 O96 -","8","1","","Coomber, D.; Rusli, O.; Sharma, H.; Lee, H. E.; Evans, J. D.; Rijs, N. J.; Hua, C.; Pfeffer, F.","A new class of customisable stable boronic ester assemblies.","Chemical science","2026","17","14","6939","6948","10.1039/d5sc08385k","","","0.710917","Synchrotron","","0.0578","0.0572","","","0.1534","0.1539","","","","","","1.077","","","","has coordinates","306330","2026-06-05","18:37:30",""
"1576544","16.3394","0.0005","14.4078","0.0003","16.6288","0.0006","90","","119.316","0.004","90","","3413.3","0.2","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C12 H10 F6 Fe N O4 S2 -","- C12 H10 F6 Fe N O4 S2 -","- C96 H80 F48 Fe8 N8 O32 S16 -","8","2","","Webb, Thomas; Vanin, Francesco; Gao, Danpeng; Zhu, Lei; Tremlett, William D. J.; Azaden, Amanz; Rodgers, Alice; Jacoutot, Polina; White, Andrew J. P.; Islam, M. Saiful; Long, Nicholas J.; Zhu, Zonglong; Haque, Saif A.","Metallocenium salts as tunable dopants for enhanced efficiency of perovskite solar cells","Energy & Environmental Science","2026","19","2","605","618","10.1039/D5EE05482F","","","0.71073","MoKα","","0.0842","0.0496","","","0.1034","0.1167","","","","","","1.012","","","","has coordinates,has disorder","304337","2026-02-12","23:34:42",""
"1576545","5.6643","0.0005","7.5093","0.0006","26.967","0.002","90","","90","","90","","1147.04","0.16","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H14 O6 -","- C12 H14 O6 -","- C48 H56 O24 -","4","1","","Wang, Minghui; Li, Xihui; Zhang, Peng; Wang, Zhaoxu; Hao, Shu-Meng; He, Shuang; Qin, Xuan; Zhou, Guangmin; Zhou, Weidong","Upgraded closed-loop recycling of PET for high-voltage solid-state electrolytes and their critical Li+ transport","Energy & Environmental Science","2026","19","6","1969","1982","10.1039/D5EE06034F","","","","","","0.058","","","","","","","","","","","","","","","has coordinates","305402","2026-04-05","12:18:44",""
"1576546","4.9229","0.0007","13.6267","0.0009","8.8349","0.0006","90","","97.908","0.011","90","","587.03","0.1","120.4","0.1","120.4","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 N2 O4 -","- C12 H16 N2 O4 -","- C24 H32 N4 O8 -","2","0.5","","Wang, Minghui; Li, Xihui; Zhang, Peng; Wang, Zhaoxu; Hao, Shu-Meng; He, Shuang; Qin, Xuan; Zhou, Guangmin; Zhou, Weidong","Upgraded closed-loop recycling of PET for high-voltage solid-state electrolytes and their critical Li+ transport","Energy & Environmental Science","2026","19","6","1969","1982","10.1039/D5EE06034F","","x-ray","0.71073","MoKα","","0.0511","0.0407","","","0.0887","0.0975","","","","","","1.063","","","","has coordinates","305402","2026-04-05","12:18:44",""
"1576547","4.97","0.001","16.57","0.003","26.38","0.005","92.56","0.03","91.8","0.03","97.83","0.03","2148.5","0.7","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C47.36 H48.44 N7 O6.36 -","- C47.3645 H48.458 N7 O6.3645 -","- C94.729 H96.916 N14 O12.729 -","2","2","","Blanco-Gómez, Arturo; Barravecchia, Liliana; Scarel, Erica; De Zorzi, Rita; Colomina-Alfaro, Laura; Bandiera, Antonella; Kralj, Slavko; Vila, Alejandro; Porrelli, Davide; Peinador, Carlos; García, Marcos D; Marchesan, Silvia","Dual pH-responsive pseudopeptide: hydrogelation and self-assembly into single- and multi-walled nanotubes.","Nanoscale","2026","18","6","3365","3376","10.1039/d5nr04076k","","x-ray","0.7","synchrotron","","0.0637","0.0525","","","0.1386","0.1463","","","","","","1.058","","","","has coordinates","304346","2026-02-13","01:02:14",""
"1576548","9.689","0.01","12.113","0.012","13.682","0.014","108.425","0.01","93.04","0.011","102.406","0.011","1475","3","80","","80","","","","","","","","","3","P -1","-P 1","2","","3-(propargyloxy)-7-(2,4-di(propargylester)phenyl)-xanth-10-one acetone solvate(1:1)","","- C37 H26 O8 -","- C37 H26 O8 -","- C74 H52 O16 -","2","1","","McKay, Laura; Zhang, Issan; Suh, Imogen; Bohle, D. Scott; Kakkar, Ashok; Maysinger, Dusica","Aggregation-induced emission active seminaphthofluoresceins: a new class of xanthene luminogens for bioimaging.","Nanoscale","2026","18","6","3194","3208","10.1039/d5nr04595a","","x-ray","0.71073","MoKα","","0.0926","0.0565","","","0.1287","0.1532","","","","","","0.968","","","","has coordinates","304347","2026-02-13","01:02:35",""
"1576549","11.608","0.0004","11.608","0.0004","33.2403","0.0016","90","","90","","120","","3878.9","0.3","150","2","150","2","","","","","","","","5","P 32","P 32","145","","","","- C55 H70 N2 O6 Zn2 -","- C55 H70 N2 O6 Zn2 -","- C165 H210 N6 O18 Zn6 -","3","1","","Ray, Ranay Kumar; Kumari, Manoj; Mondal, Kartik Chandra; Chakraborty, Debashis","Chiral proline-derived Zn(ii) complexes as catalysts for ring-opening polymerization and ring-opening copolymerization reactions","Polymer Chemistry","2026","17","7","758","769","10.1039/D5PY01089F","","","0.71073","MoKα","","0.056","0.0534","","","0.1162","0.1172","","","","","","1.226","","","","has coordinates,has disorder","305450","2026-04-05","12:28:18",""
"1576550","11.1571","0.0004","20.5403","0.0009","20.6397","0.0007","90","","90","","90","","4730","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C48 H58 F4 N2 O6 Zn2 -","- C48 H58 F4 N2 O6 Zn2 -","- C192 H232 F16 N8 O24 Zn8 -","4","1","","Ray, Ranay Kumar; Kumari, Manoj; Mondal, Kartik Chandra; Chakraborty, Debashis","Chiral proline-derived Zn(ii) complexes as catalysts for ring-opening polymerization and ring-opening copolymerization reactions","Polymer Chemistry","2026","17","7","758","769","10.1039/D5PY01089F","","","0.71073","MoKα","","0.0339","0.028","","","0.0627","0.065","","","","","","1.021","","","","has coordinates","305450","2026-04-05","12:28:18",""
"1576551","3.8427","0.0001","10.7309","0.0004","11.2638","0.0005","77.306","0.004","84.19","0.003","89.289","0.003","450.77","0.03","150","","150","","","","","","","","","3","P -1","-P 1","2","","Dimethyl terephthalate (II)","","- C10 H10 O4 -","- C10 H10 O4 -","- C20 H20 O8 -","2","1","","Sapegin, Denis A.; Kuznetsov, Danila A.; Penny, Edward J.; Cockcroft, Jeremy K.; Bear, Joseph C.","Molecular insight into a disulfonimide-bearing diol: synthesis, characterisation and access to poly(disulfonimide)s","Polymer Chemistry","2026","17","6","679","689","10.1039/D5PY01171J","","x-ray","1.54184","CuKα","","0.0537","0.0421","","","0.1131","0.1215","","","","","","1.029","","","","has coordinates,has disorder","304398","2026-02-13","02:22:50",""
"1576552","17.6722","0.0004","14.9571","0.0003","6.8177","0.0003","90","","90","","90","","1802.09","0.1","130","","130","","","","","","","","","5","P b a m","-P 2 2ab","55","","3,4-bischlorosulfonyl-benzoic acid","","- C15 H14 Cl2 O6 S2 -","- C7 H4 Cl2 O6 S2 -","- C28 H16 Cl8 O24 S8 -","4","0.5","","Sapegin, Denis A.; Kuznetsov, Danila A.; Penny, Edward J.; Cockcroft, Jeremy K.; Bear, Joseph C.","Molecular insight into a disulfonimide-bearing diol: synthesis, characterisation and access to poly(disulfonimide)s","Polymer Chemistry","2026","17","6","679","689","10.1039/D5PY01171J","","x-ray","1.54184","CuKα","","0.0812","0.0741","","","0.2211","0.2285","","","","","","1.099","","","","has coordinates,has disorder","304398","2026-02-13","02:22:50",""
"1576553","30.4347","0.0004","30.4347","0.0004","8.9629","0.0002","90","","90","","90","","8302.1","0.2","292.99","0.1","292.99","0.1","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C40 H36 Cl3 N3 Pd -","- C40 H36 Cl3 N3 Pd -","- C320 H288 Cl24 N24 Pd8 -","8","1","","Feng, Juan-Juan; Guo, Yuman; Song, Qian; Guo, Ze-Cheng; Liu, Feng-Shou","Room-temperature Suzuki–Miyaura polycondensation of aryl dichloride monomers enabled by “large-but-flexible” Pd-NHC precatalysts","Polymer Chemistry","2026","17","5","539","550","10.1039/D5PY01111F","","x-ray","1.54184","CuKα","","0.0622","0.0556","","","0.1474","0.1549","","","","","","1.034","","","","has coordinates","304399","2026-02-13","02:23:49",""
"1576554","12.0167","0.0001","20.6583","0.0002","17.1121","0.0002","90","","101.764","0.001","90","","4158.76","0.07","300.03","0.1","300.03","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H44 Cl4 N4 Pd -","- C42 H44 Cl4 N4 Pd -","- C168 H176 Cl16 N16 Pd4 -","4","1","","Feng, Juan-Juan; Guo, Yuman; Song, Qian; Guo, Ze-Cheng; Liu, Feng-Shou","Room-temperature Suzuki–Miyaura polycondensation of aryl dichloride monomers enabled by “large-but-flexible” Pd-NHC precatalysts","Polymer Chemistry","2026","17","5","539","550","10.1039/D5PY01111F","","x-ray","1.54184","CuKα","","0.0588","0.052","","","0.1528","0.1611","","","","","","1.06","","","","has coordinates,has disorder","304399","2026-02-13","02:23:50",""
"1576555","19.8191","0.0007","23.1145","0.0009","18.5583","0.0009","90","","104.135","0.004","90","","8244.3","0.6","260.03","0.1","260.03","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H40 Cl3 N3 Pd -","- C42 H40 Cl3 N3 Pd -","- C336 H320 Cl24 N24 Pd8 -","8","2","","Feng, Juan-Juan; Guo, Yuman; Song, Qian; Guo, Ze-Cheng; Liu, Feng-Shou","Room-temperature Suzuki–Miyaura polycondensation of aryl dichloride monomers enabled by “large-but-flexible” Pd-NHC precatalysts","Polymer Chemistry","2026","17","5","539","550","10.1039/D5PY01111F","","x-ray","0.71073","MoKα","","0.0736","0.0515","","","0.1089","0.1225","","","","","","0.994","","","","has coordinates,has disorder","304399","2026-02-13","02:23:50",""
"1576556","27.2892","0.0001","27.5522","0.0002","17.8561","0.0001","90","","90","","90","","13425.6","0.13","298.61","0.1","298.61","0.1","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C37 H38 Cl2 N2 O Pd -","- C37 H38 Cl2 N2 O Pd -","- C592 H608 Cl32 N32 O16 Pd16 -","16","2","","Feng, Juan-Juan; Guo, Yuman; Song, Qian; Guo, Ze-Cheng; Liu, Feng-Shou","Room-temperature Suzuki–Miyaura polycondensation of aryl dichloride monomers enabled by “large-but-flexible” Pd-NHC precatalysts","Polymer Chemistry","2026","17","5","539","550","10.1039/D5PY01111F","","x-ray","1.54184","CuKα","","0.0534","0.0487","","","0.1423","0.1478","","","","","","1.035","","","","has coordinates,has disorder","304399","2026-02-13","02:23:50",""
"1576557","10.2511","0.0002","11.3136","0.0002","12.6821","0.0002","89.356","0.001","88.349","0.001","81.018","0.001","1452.16","0.04","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C35 H24 F10 O3 -","- C35 H24 F10 O3 -","- C70 H48 F20 O6 -","2","1","","Pociecha, D.; Thornborrow, Z.; Karcz, J.; Bakiera, M.; Herman, J.; Makal, A.; Szydłowska, J; Górecka, E","Helical <i>vs.</i> non-helical nematic and lamellar proper ferroelectric liquid crystal phases.","Soft matter","2026","22","9","1973","1978","10.1039/d5sm01265a","","x-ray","1.54184","CuKα","","0.0415","0.0342","","","0.0871","0.0916","","","","","","1.041","","","","has coordinates,has disorder","304961","2026-03-05","13:13:14",""
"1576558","10.2066","0.0003","11.0223","0.0003","12.7763","0.0004","87.237","0.002","85.078","0.002","79.927","0.002","1409.15","0.07","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C34 H22 F10 O3 -","- C34 H22 F10 O3 -","- C68 H44 F20 O6 -","2","1","","Pociecha, D.; Thornborrow, Z.; Karcz, J.; Bakiera, M.; Herman, J.; Makal, A.; Szydłowska, J; Górecka, E","Helical <i>vs.</i> non-helical nematic and lamellar proper ferroelectric liquid crystal phases.","Soft matter","2026","22","9","1973","1978","10.1039/d5sm01265a","","x-ray","1.54184","CuKα","","0.0444","0.036","","","0.0954","0.1013","","","","","","1.048","","","","has coordinates,has disorder","304961","2026-03-05","13:13:15",""
"1576559","9.7365","0.0004","10.0238","0.0003","14.1978","0.0004","81.899","0.003","86.722","0.003","74.851","0.003","1323.86","0.08","125","0.1","125","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C32 H18 F10 O3 -","- C32 H18 F10 O3 -","- C64 H36 F20 O6 -","2","1","","Pociecha, D.; Thornborrow, Z.; Karcz, J.; Bakiera, M.; Herman, J.; Makal, A.; Szydłowska, J; Górecka, E","Helical <i>vs.</i> non-helical nematic and lamellar proper ferroelectric liquid crystal phases.","Soft matter","2026","22","9","1973","1978","10.1039/d5sm01265a","","","1.54184","CuKα","","0.0558","0.0439","","","0.1159","0.1251","","","","","","1.025","","","","has coordinates,has disorder","304961","2026-03-05","13:13:15",""
"1576560","10.0779","0.0002","15.6905","0.0003","17.9427","0.0003","90","","104.416","0.002","90","","2747.9","0.09","99.9","0.2","100.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C33 H20 F10 O3 -","- C33 H20 F10 O3 -","- C132 H80 F40 O12 -","4","2","","Pociecha, D.; Thornborrow, Z.; Karcz, J.; Bakiera, M.; Herman, J.; Makal, A.; Szydłowska, J; Górecka, E","Helical <i>vs.</i> non-helical nematic and lamellar proper ferroelectric liquid crystal phases.","Soft matter","2026","22","9","1973","1978","10.1039/d5sm01265a","","","1.54184","CuKα","","0.0594","0.046","","","0.1114","0.118","","","","","","1.029","","","","has coordinates","304961","2026-03-05","13:13:15",""
"1576561","9.225","0.0019","9.6548","0.0017","9.715","0.002","90","","116.551","0.004","90","","774","0.3","113","","113","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H20 N6 Pt -","- C14 H20 N6 Pt -","- C28 H40 N12 Pt2 -","2","0.5","","Nakano, Issei; Huang, Shufang; Suzuki, Daiya; Kaneko, Kosuke; Maegawa, Junki; Kawamorita, Soichiro; Suzuki, Shuichi; Imai, Yoshitane","Electric-field-induced switching of circularly polarized luminescence in a multicomponent emissive liquid-crystal system.","Soft matter","2026","22","14","2762","2768","10.1039/d5sm01195g","","","0.71075","MoKα","","0.0561","0.05","","","0.1336","0.1353","","","","","","0.933","","","","has coordinates","305862","2026-05-05","09:35:24",""
"1576562","19.768","","8.651","","3.2781","","90","","92.343","","90","","560.129","","113","","113","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C10 H12 N4 Pt -","- C10 H11 N6 Pt -","- C20 H22 N12 Pt2 -","2","0.5","","Nakano, Issei; Huang, Shufang; Suzuki, Daiya; Kaneko, Kosuke; Maegawa, Junki; Kawamorita, Soichiro; Suzuki, Shuichi; Imai, Yoshitane","Electric-field-induced switching of circularly polarized luminescence in a multicomponent emissive liquid-crystal system.","Soft matter","2026","22","14","2762","2768","10.1039/d5sm01195g","","","0.71075","MoKα","","0.0467","0.0467","","","0.1148","0.1148","","","","","","1.07","","","","has coordinates","305862","2026-05-05","09:35:24",""
"1576563","15.51","0.0012","11.3371","0.0015","21.885","0.002","90","","91.122","0.01","90","","3847.5","0.7","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C54 H38 O4 -","- C54 H38 O4 -","- C216 H152 O16 -","4","1","","Ganesan, Narmatha; Srinivasan, Kavanya; Antony, Elizabeth; Malecki, Jan G.; Sukumar, Abisha Nancy; Angamuthu, Abiram; Prabhu, J.; Nandhakumar, Raju","ICT-driven Ag+ detection using xylene-spacer integrated naphthalene probes as fluorescent chemosensors: selectivity, practical monitoring, and anticounterfeiting","Sensors & Diagnostics","2026","","","","","10.1039/D5SD00202H","","x-ray","0.71073","MoKα","","0.2579","0.1093","","","0.3295","0.4105","","","","","","1.049","","","","has coordinates","304406","2026-02-13","02:57:09",""
"1576564","7.7217","0.0003","15.5478","0.0007","16.9711","0.0007","75.9","0.004","89.379","0.003","83.338","0.003","1962.42","0.15","293","0.14","293","0.14","","","","","","","","5","P -1","-P 1","2","","","","- C20 H44 Br10 In2 N4 -","- C20 H44 Br10 In2 N4 -","- C40 H88 Br20 In4 N8 -","2","1","","Zhou, Haichao; Takahashi, Kiyonori; Okamoto, Takuya; Pan, Jianguo; Biju, Vasudevanpillai","Isomeric organic-inorganic indium bromide single crystals with delayed and dual colour emission.","Materials horizons","2026","13","6","2802","2808","10.1039/d5mh02322j","","x-ray","0.71073","MoKα","","0.0819","0.0597","","","0.1685","0.1806","","","","","","0.992","","","","has coordinates","305451","2026-04-05","12:29:20",""
"1576565","7.7261","0.0001","15.5423","0.0002","16.9698","0.0002","75.916","0.001","89.357","0.001","83.276","0.001","1962.59","0.04","292.95","0.1","292.95","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C20 H44 Br10 In2 N4 -","- C20 H44 Br10 In2 N4 -","- C40 H88 Br20 In4 N8 -","2","1","","Zhou, Haichao; Takahashi, Kiyonori; Okamoto, Takuya; Pan, Jianguo; Biju, Vasudevanpillai","Isomeric organic-inorganic indium bromide single crystals with delayed and dual colour emission.","Materials horizons","2026","13","6","2802","2808","10.1039/d5mh02322j","","x-ray","0.71073","MoKα","","0.0651","0.0457","","","0.1027","0.1093","","","","","","1.043","","","","has coordinates","305451","2026-04-05","12:29:20",""
"1576566","17.2915","0.0011","13.2926","0.0006","14.2063","0.0008","90","","122.833","0.006","90","","2743.7","0.3","143","2","143","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12.5 H13 Cl0.5 Co0.5 N2 O3.5 -","- C12.5 H13 Cl0.5 Co0.5 N2 O3.5 -","- C100 H104 Cl4 Co4 N16 O28 -","8","1","","Itagaki, Ren; Nakada, Akinobu; Suzuki, Hajime; Tomita, Osamu; Abe, Ryu","Active control of forward/backward charge transfer in Z-scheme water splitting: manipulating electrostatic affinity/repulsion between photocatalyst surface and electron mediator.","Chemical science","2026","17","13","6379","6389","10.1039/d5sc10049f","","","0.71073","MoKα","","0.0812","0.0746","","","0.213","0.2182","","","","","","1.125","","","","has coordinates,has disorder","305333","2026-04-05","11:52:37",""
"1576567","24.611","0.003","15.358","0.002","28.047","0.006","90","","90","","90","","10601","3","152.91","","152.91","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C47 H24 B2 F24 O -","- C47 H24 B2 F24 O -","- C376 H192 B16 F192 O8 -","8","1","","Liu, Tong-Tong; Li, Xiao-Wen; Cui, Yun-Shu; Deng, Zi-Hao; Liu, Feng; Zhai, Dan-Dan; Shi, Zhang-Jie","Modulating halide leaving-group trends through recognition by bisboranes.","Chemical science","2026","17","14","6949","6955","10.1039/d5sc10013e","","","1.54184","CuKα","","0.0621","0.0569","","","0.1649","0.1704","","","","","","1.212","","","","has coordinates,has disorder","305775","2026-05-05","08:55:04",""
"1576568","38.975","0.002","12.6529","0.001","25.2038","0.0019","90","","107.106","0.002","90","","11879.3","1.4","150.01","","150.01","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C120 H105 B4 F50 N2 -","- C120 H106.503 B4 F50 N2 -","- C480 H426.012 B16 F200 N8 -","4","1","","Liu, Tong-Tong; Li, Xiao-Wen; Cui, Yun-Shu; Deng, Zi-Hao; Liu, Feng; Zhai, Dan-Dan; Shi, Zhang-Jie","Modulating halide leaving-group trends through recognition by bisboranes.","Chemical science","2026","17","14","6949","6955","10.1039/d5sc10013e","","","1.54184","CuKα","","0.0755","0.0647","","","0.171","0.1809","","","","","","1.045","","","","has coordinates,has disorder","305775","2026-05-05","08:55:04",""
"1576569","23.3734","0.0005","11.8595","0.0003","15.6482","0.0004","90","","107.595","0.001","90","","4134.7","0.17","152.72","","152.72","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H9 B3 F12 -","- C22 H9 B F12 -","- C176 H72 B8 F96 -","8","1","","Liu, Tong-Tong; Li, Xiao-Wen; Cui, Yun-Shu; Deng, Zi-Hao; Liu, Feng; Zhai, Dan-Dan; Shi, Zhang-Jie","Modulating halide leaving-group trends through recognition by bisboranes.","Chemical science","2026","17","14","6949","6955","10.1039/d5sc10013e","","","1.54178","CuKα","","0.0666","0.0545","","","0.1465","0.1575","","","","","","1.08","","","","has coordinates,has disorder","305775","2026-05-05","08:55:04",""
"1576570","13.8297","0.0004","15.9645","0.0004","18.5999","0.0006","114.005","0.001","91.968","0.001","114.544","0.001","3308.69","0.17","149.99","","149.99","","","","","","","","","6","P -1","-P 1","2","","","","- C60 H54 B2 Cl F24 N -","- C60 H54 B2 Cl F24 N -","- C120 H108 B4 Cl2 F48 N2 -","2","1","","Liu, Tong-Tong; Li, Xiao-Wen; Cui, Yun-Shu; Deng, Zi-Hao; Liu, Feng; Zhai, Dan-Dan; Shi, Zhang-Jie","Modulating halide leaving-group trends through recognition by bisboranes.","Chemical science","2026","17","14","6949","6955","10.1039/d5sc10013e","","","0.71073","MoKα","","0.0708","0.0588","","","0.1607","0.1714","","","","","","1.036","","","","has coordinates,has disorder","305775","2026-05-05","08:55:04",""
"1576571","13.8828","0.0008","13.9447","0.0008","17.7055","0.0012","93.328","0.002","96.164","0.002","103.812","0.002","3296.8","0.4","220.01","","220.01","","","","","","","","","7","P -1","-P 1","2","","","","- C63 H60 B2 F24 I N O -","- C63 H60 B2 F24 I N O -","- C126 H120 B4 F48 I2 N2 O2 -","2","1","","Liu, Tong-Tong; Li, Xiao-Wen; Cui, Yun-Shu; Deng, Zi-Hao; Liu, Feng; Zhai, Dan-Dan; Shi, Zhang-Jie","Modulating halide leaving-group trends through recognition by bisboranes.","Chemical science","2026","17","14","6949","6955","10.1039/d5sc10013e","","","0.71073","MoKα","","0.0438","0.0367","","","0.087","0.0918","","","","","","1.017","","","","has coordinates,has disorder","305775","2026-05-05","08:55:04",""
"1576572","13.919","0.0007","16.0936","0.0008","18.4939","0.0008","113.668","0.002","91.672","0.002","115.439","0.002","3323.1","0.3","149.99","","149.99","","","","","","","","","6","P -1","-P 1","2","","","","- C60 H54 B2 Br F24 N -","- C60 H54 B2 Br F24 N -","- C120 H108 B4 Br2 F48 N2 -","2","1","","Liu, Tong-Tong; Li, Xiao-Wen; Cui, Yun-Shu; Deng, Zi-Hao; Liu, Feng; Zhai, Dan-Dan; Shi, Zhang-Jie","Modulating halide leaving-group trends through recognition by bisboranes.","Chemical science","2026","17","14","6949","6955","10.1039/d5sc10013e","","","0.71073","MoKα","","0.0941","0.0689","","","0.1783","0.1943","","","","","","1.028","","","","has coordinates,has disorder","305775","2026-05-05","08:55:04",""
"1576573","14.0685","0.0006","16.0771","0.0006","18.5596","0.0007","64.999","0.001","89.144","0.001","65.012","0.001","3379.3","0.2","150.02","","150.02","","","","","","","","","6","P -1","-P 1","2","","","","- C60 H54 B2 F24 I N -","- C60 H54 B2 F24 I N -","- C120 H108 B4 F48 I2 N2 -","2","1","","Liu, Tong-Tong; Li, Xiao-Wen; Cui, Yun-Shu; Deng, Zi-Hao; Liu, Feng; Zhai, Dan-Dan; Shi, Zhang-Jie","Modulating halide leaving-group trends through recognition by bisboranes.","Chemical science","2026","17","14","6949","6955","10.1039/d5sc10013e","","","0.71073","MoKα","","0.0717","0.065","","","0.1566","0.1605","","","","","","1.117","","","","has coordinates,has disorder","305775","2026-05-05","08:55:04",""
"1576574","6.8371","0.0001","11.9389","0.0002","12.7775","0.0002","94.192","0.001","90.966","0.001","93.033","0.001","1038.52","0.03","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C15 H22 Cl5 In N4 -","- C15 H22 Cl5 In N4 -","- C30 H44 Cl10 In2 N8 -","2","2","","Guo, Xin-Ping; Lin, Hao-Wei; Ablez, Abdusalam; Zhang, Sheng-Mao; Ren, Yu-Wei; Chen, Guo-Yang; Zhang, Wei-Yu; Du, Ke-Zhao; Wang, Ze-Ping; Huang, Xiao-Ying","Achieving switchable UV/Vis circularly polarized luminescence by varying excitation wavelength in chiral indium halides.","Chemical science","2026","17","15","7636","7642","10.1039/d5sc09439a","","","0.71073","MoKα","","0.0377","0.0314","","","0.0637","0.0656","","","","","","1.042","","","","has coordinates","305783","2026-05-05","08:57:34",""
"1576575","6.8432","0.0002","11.9451","0.0003","12.7802","0.0003","94.182","0.002","90.902","0.002","93.03","0.002","1040.25","0.05","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C15 H22 Cl5 In N4 -","- C15 H22 Cl5 In N4 -","- C30 H44 Cl10 In2 N8 -","2","2","","Guo, Xin-Ping; Lin, Hao-Wei; Ablez, Abdusalam; Zhang, Sheng-Mao; Ren, Yu-Wei; Chen, Guo-Yang; Zhang, Wei-Yu; Du, Ke-Zhao; Wang, Ze-Ping; Huang, Xiao-Ying","Achieving switchable UV/Vis circularly polarized luminescence by varying excitation wavelength in chiral indium halides.","Chemical science","2026","17","15","7636","7642","10.1039/d5sc09439a","","","0.71073","MoKα","","0.0438","0.0375","","","0.0916","0.0941","","","","","","1.038","","","","has coordinates","305783","2026-05-05","08:57:34",""
"1576576","12.3857","0.0008","12.423","0.0008","13.1942","0.0009","63.892","0.003","88.521","0.004","64.842","0.004","1617.3","0.2","150","2","150","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H28 Cu F6 N8 Si -","- C30 H28 Cu F6 N8 Si -","- C60 H56 Cu2 F12 N16 Si2 -","2","1","","Qin, Shao-Jie; Shivanna, Mohana; Gao, Mei-Yan; Deng, Cheng-Hua; Wang, Shi-Qiang; Li, Dan; Fu, Shao-Dan; Qiu, Shuai; Song, Bai-Qiao; Yang, Qing-Yuan","Crystallographic visualization of C3-hydrocarbon-induced structural transformation and guest encapsulation within a flexible coordination network.","Chemical science","2026","17","14","7115","7124","10.1039/d5sc07430d","","","1.54178","CuKα","","0.1541","0.1433","","","0.3746","0.3813","","","","","","1.058","","","","has coordinates,has disorder","306332","2026-06-05","18:37:59",""
"1576577","12.4086","0.001","12.7851","0.0011","13.5849","0.0012","65.814","0.002","68.712","0.002","63.821","0.002","1720","0.3","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C28.5 H32 Cu F6 N8 Si -","- C28.5 H32 Cu F6 N8 Si -","- C57 H64 Cu2 F12 N16 Si2 -","2","1","","Qin, Shao-Jie; Shivanna, Mohana; Gao, Mei-Yan; Deng, Cheng-Hua; Wang, Shi-Qiang; Li, Dan; Fu, Shao-Dan; Qiu, Shuai; Song, Bai-Qiao; Yang, Qing-Yuan","Crystallographic visualization of C3-hydrocarbon-induced structural transformation and guest encapsulation within a flexible coordination network.","Chemical science","2026","17","14","7115","7124","10.1039/d5sc07430d","","","0.71073","MoKα","","0.1336","0.1172","","","0.3271","0.3433","","","","","","1.069","","","","has coordinates","306332","2026-06-05","18:37:59",""
"1576578","12.4446","0.001","12.9292","0.0011","13.327","0.0011","63.239","0.002","70.955","0.002","63.228","0.002","1688.8","0.2","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C31.5 H35 Cu F6 N8 Si -","- C31.5 H35 Cu F6 N8 Si -","- C63 H70 Cu2 F12 N16 Si2 -","2","1","","Qin, Shao-Jie; Shivanna, Mohana; Gao, Mei-Yan; Deng, Cheng-Hua; Wang, Shi-Qiang; Li, Dan; Fu, Shao-Dan; Qiu, Shuai; Song, Bai-Qiao; Yang, Qing-Yuan","Crystallographic visualization of C3-hydrocarbon-induced structural transformation and guest encapsulation within a flexible coordination network.","Chemical science","2026","17","14","7115","7124","10.1039/d5sc07430d","","","0.71073","MoKα","","0.1294","0.1166","","","0.3099","0.3215","","","","","","1.075","","","","has coordinates,has disorder","306332","2026-06-05","18:37:59",""
"1576579","12.2023","0.0011","10.9757","0.001","16.4527","0.0013","90","","105.485","0.002","90","","2123.5","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H26 N4 O4 -","- C23 H26 N4 O4 -","- C92 H104 N16 O16 -","4","1","","Chattopadhayay, Sandip; Ganguly, Debraj; Sodnawar, Triveni; Talukdar, Pinaki","Glutathione-activatable synthetic channel for hopping-mediated anion transport.","Chemical science","2026","17","14","6995","7001","10.1039/d6sc00359a","","","0.71073","MoKα","","0.0721","0.0527","","","0.1234","0.1334","","","","","","1.053","","","","has coordinates","305778","2026-05-05","08:55:54",""
"1576580","10.3808","0.0004","21.0758","0.0007","30.3435","0.001","90","","97.414","0.003","90","","6583.2","0.4","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C73 H92 Fe2 N6 O2.5 P -","- C73 H92 Fe2 N6 O2.5 P -","- C292 H368 Fe8 N24 O10 P4 -","4","1","","Liu, Tianchang; Gonder, Jared E.; Murphy, Ryan P.; Bacon, Alexandra M.; Gau, Michael R.; Tomson, Neil C.","Direct metathesis of carbon-carbon <i>σ</i>-bonds at a versatile macrocycle-supported diiron platform.","Chemical science","2026","17","14","7203","7210","10.1039/d5sc10054b","","x-ray","0.71073","MoKα","","0.0753","0.0554","","","0.1279","0.1361","","","","","","1.051","","","","has coordinates,has disorder","305779","2026-05-05","08:56:16",""
"1576581","14.0957","0.0001","20.1889","0.0002","21.1235","0.0002","66.976","0.001","76.184","0.001","76.686","0.001","5308.95","0.09","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C114 H108 B F24 Fe2 N6 O1.5 P2 -","- C114 H108 B F24 Fe2 N6 O1.5 P2 -","- C228 H216 B2 F48 Fe4 N12 O3 P4 -","2","1","","Liu, Tianchang; Gonder, Jared E.; Murphy, Ryan P.; Bacon, Alexandra M.; Gau, Michael R.; Tomson, Neil C.","Direct metathesis of carbon-carbon <i>σ</i>-bonds at a versatile macrocycle-supported diiron platform.","Chemical science","2026","17","14","7203","7210","10.1039/d5sc10054b","","x-ray","1.54184","CuKα","","0.0508","0.0426","","","0.1111","0.1189","","","","","","1.056","","","","has coordinates,has disorder","305779","2026-05-05","08:56:16",""
"1576582","24.4482","0.0003","11.945","0.0002","26.3761","0.0004","90","","109.54","0.002","90","","7259.1","0.2","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C73 H78.5 F13.5 Fe2 N6 P3 -","- C73 H78.5 F13.5 Fe2 N6 P3 -","- C292 H314 F54 Fe8 N24 P12 -","4","1","","Liu, Tianchang; Gonder, Jared E.; Murphy, Ryan P.; Bacon, Alexandra M.; Gau, Michael R.; Tomson, Neil C.","Direct metathesis of carbon-carbon <i>σ</i>-bonds at a versatile macrocycle-supported diiron platform.","Chemical science","2026","17","14","7203","7210","10.1039/d5sc10054b","","x-ray","0.71073","MoKα","","0.0518","0.0445","","","0.1324","0.1373","","","","","","1.061","","","","has coordinates,has disorder","305779","2026-05-05","08:56:16",""
"1576583","4.3394","0.0005","36.94","0.005","11.2673","0.0014","90","","92.79","0.005","90","","1804","0.4","298","","298","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H11 N7 O2 -","- C19 H11 N7 O2 -","- C76 H44 N28 O8 -","4","1","","Lin, Ze; Xu, Zhaocheng; Tian, Jun; Zhang, Chenyang; Sheng, Chuqiao; Dong, Zeyuan","Foldamer-based K<sup>+</sup> channels with ion selectivity surpassing the KcsA channel.","Chemical science","2026","17","15","7620","7628","10.1039/d5sc08786d","","","0.71073","MoKα","","0.1126","0.0804","","","0.209","0.2657","","","","","","1.122","","","","has coordinates","306335","2026-06-05","18:38:18",""
"1576584","7.245","0.0012","31.353","0.005","23.751","0.004","90","","91.88","0.003","90","","5392.2","1.5","143","2","143","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C44 H58 B30 Cl2 -","- C44 H58 B30 Cl2 -","- C176 H232 B120 Cl8 -","4","0.5","","Yuhara, Kazuhiro; Takemori, Sota; Yanagihara, Takumi; Ohtani, Shunsuke; Ogoshi, Tomoki; Tanaka, Kazuo","Guest-induced emission enhancement in the permanent porous conjugated carboracycle crystal.","Chemical science","2026","17","7","3691","3699","10.1039/d5sc08753h","","","0.71075","MoKα","","0.1374","0.1211","","","0.3743","0.3971","","","","","","1.586","","","","has coordinates","304887","2026-03-05","12:31:59",""
"1576585","7.2884","0.0017","31.271","0.007","23.733","0.006","90","","92.054","0.003","90","","5406","2","143","2","143","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C44 H58 B30 Br2 -","- C44 H58 B30 Br2 -","- C176 H232 B120 Br8 -","4","0.5","","Yuhara, Kazuhiro; Takemori, Sota; Yanagihara, Takumi; Ohtani, Shunsuke; Ogoshi, Tomoki; Tanaka, Kazuo","Guest-induced emission enhancement in the permanent porous conjugated carboracycle crystal.","Chemical science","2026","17","7","3691","3699","10.1039/d5sc08753h","","","0.71075","MoKα","","0.0981","0.0807","","","0.2287","0.2454","","","","","","1.082","","","","has coordinates","304887","2026-03-05","12:31:59",""
"1576586","17.168","0.004","17.984","0.005","22.621","0.008","69.09","0.008","67.933","0.009","63.812","0.008","5653","3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C86 H102 Al2 F72 Ga2 O9 P4 -","- C86 H102 Al2 F72 Ga2 O9 P4 -","- C172 H204 Al4 F144 Ga4 O18 P8 -","2","1","","Barthélemy, Antoine; Kub, Nico Gino; Regnat, Celine; Scherer, Harald; Krossing, Ingo","Why is a dicationic digallene so reactive towards activation of strong covalent bonds? Scope and mechanistic investigations.","Chemical science","2026","17","8","4004","4020","10.1039/d5sc09508e","","x-ray","0.71073","MoKα","","0.0952","0.0676","","","0.1788","0.2133","","","","","","0.874","","","","has coordinates,has disorder","304881","2026-03-05","12:25:48",""
"1576587","15.677","0.002","23.421","0.004","31.572","0.005","90","","90","","90","","11592","3","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C90 H102 Al2 F72 Ga2 O9 P4 -","- C90 H102 Al2 F72 Ga2 O9 P4 -","- C360 H408 Al8 F288 Ga8 O36 P16 -","4","1","","Barthélemy, Antoine; Kub, Nico Gino; Regnat, Celine; Scherer, Harald; Krossing, Ingo","Why is a dicationic digallene so reactive towards activation of strong covalent bonds? Scope and mechanistic investigations.","Chemical science","2026","17","8","4004","4020","10.1039/d5sc09508e","","x-ray","0.71073","MoKα","","0.0527","0.0487","","","0.1271","0.1314","","","","","","1.018","","","","has coordinates,has disorder","304881","2026-03-05","12:25:48",""
"1576588","13.55","0.004","27.099","0.005","15.504","0.004","90","","91.2","0.007","90","","5692","2","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C86 H99 Al2 F72 Ga2 N O8 P4 -","- C86 H99 Al2 F72 Ga2 N O8 P4 -","- C172 H198 Al4 F144 Ga4 N2 O16 P8 -","2","1","","Barthélemy, Antoine; Kub, Nico Gino; Regnat, Celine; Scherer, Harald; Krossing, Ingo","Why is a dicationic digallene so reactive towards activation of strong covalent bonds? Scope and mechanistic investigations.","Chemical science","2026","17","8","4004","4020","10.1039/d5sc09508e","","x-ray","0.71073","MoKα","","0.1063","0.0889","","","0.2511","0.2781","","","","","","1.044","","","","has coordinates,has disorder","304881","2026-03-05","12:25:48",""
"1576589","18.26","0.003","29.497","0.005","22.081","0.004","90","","96.514","0.009","90","","11816","4","100","2","100","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C90 H103 Al2 F72 Ga2 N O8 P4 -","- C90 H103 Al2 F72 Ga2 N O8 P4 -","- C360 H412 Al8 F288 Ga8 N4 O32 P16 -","4","1","","Barthélemy, Antoine; Kub, Nico Gino; Regnat, Celine; Scherer, Harald; Krossing, Ingo","Why is a dicationic digallene so reactive towards activation of strong covalent bonds? Scope and mechanistic investigations.","Chemical science","2026","17","8","4004","4020","10.1039/d5sc09508e","","x-ray","0.71073","MoKα","","0.0302","0.0291","","","0.0786","0.0798","","","","","","1.039","","","","has coordinates,has disorder","304881","2026-03-05","12:25:48",""
"1576590","15.468","0.005","18.034","0.004","22.835","0.005","81.311","0.012","72.12","0.005","86.298","0.008","5991","3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C96 H107 Al2 F72 Ga2 N O8 P4 -","- C96 H107 Al2 F72 Ga2 N O8 P4 -","- C192 H214 Al4 F144 Ga4 N2 O16 P8 -","2","1","","Barthélemy, Antoine; Kub, Nico Gino; Regnat, Celine; Scherer, Harald; Krossing, Ingo","Why is a dicationic digallene so reactive towards activation of strong covalent bonds? Scope and mechanistic investigations.","Chemical science","2026","17","8","4004","4020","10.1039/d5sc09508e","","x-ray","0.71073","MoKα","","0.0526","0.0447","","","0.1171","0.1255","","","","","","1.06","","","","has coordinates,has disorder","304881","2026-03-05","12:25:48",""
"1576591","18.462","0.005","27.562","0.006","37.435","0.009","86.961","0.006","88.862","0.007","75.387","0.01","18406","8","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C278 H297 Al7 F244 Ga6 O26 P12 -","- C277.996 H297 Al7 F243.991 Ga6 O25.999 P12 -","- C555.992 H594 Al14 F487.982 Ga12 O51.998 P24 -","2","1","","Barthélemy, Antoine; Kub, Nico Gino; Regnat, Celine; Scherer, Harald; Krossing, Ingo","Why is a dicationic digallene so reactive towards activation of strong covalent bonds? Scope and mechanistic investigations.","Chemical science","2026","17","8","4004","4020","10.1039/d5sc09508e","","x-ray","0.71073","MoKα","","0.1243","0.099","","","0.2598","0.2809","","","","","","1.1","","","","has coordinates,has disorder","304881","2026-03-05","12:25:48",""
"1576592","12.9983","0.0011","19.9157","0.0009","9.7405","0.0005","90","","94.184","0.006","90","","2514.8","0.3","150.01","0.1","150.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H33 N3 O5 S -","- C22 H33 N3 O5 S -","- C88 H132 N12 O20 S4 -","4","1","","Milewska, Karen D.; Schwartz, Brett D.; Canning, Jemimah R.; Modak, Urvi; Attard, Flynn C.; Gardiner, Michael G.; Van Raad, Damian; Huber, Thomas; Malins, Lara R.","Iso-pseudoprolines as versatile tools for late-stage peptide backbone modifications.","Chemical science","2026","17","14","7244","7254","10.1039/d5sc08426a","","x-ray","1.54184","CuKα","","0.115","0.0614","","","0.1141","0.1414","","","","","","0.961","","","","has coordinates","306331","2026-06-05","18:37:49",""
"1576593","9.3907","0.0005","9.9019","0.0006","10.272","0.0005","112.348","0.005","108.593","0.005","94.434","0.004","815.54","0.09","150.01","0.1","150.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C17 H19 N O5 S -","- C17 H19 N O5 S -","- C34 H38 N2 O10 S2 -","2","1","","Milewska, Karen D.; Schwartz, Brett D.; Canning, Jemimah R.; Modak, Urvi; Attard, Flynn C.; Gardiner, Michael G.; Van Raad, Damian; Huber, Thomas; Malins, Lara R.","Iso-pseudoprolines as versatile tools for late-stage peptide backbone modifications.","Chemical science","2026","17","14","7244","7254","10.1039/d5sc08426a","","x-ray","0.71073","MoKα","","0.0563","0.0456","","","0.1077","0.115","","","","","","1.044","","","","has coordinates,has disorder","306331","2026-06-05","18:37:49",""
"1576594","5.0915","0.0001","13.4909","0.0002","19.6537","0.0003","90","","90","","90","","1349.99","0.04","423.15","","423.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H20 N2 O3 S -","- C11 H20 N2 O3 S -","- C44 H80 N8 O12 S4 -","4","1","","Milewska, Karen D.; Schwartz, Brett D.; Canning, Jemimah R.; Modak, Urvi; Attard, Flynn C.; Gardiner, Michael G.; Van Raad, Damian; Huber, Thomas; Malins, Lara R.","Iso-pseudoprolines as versatile tools for late-stage peptide backbone modifications.","Chemical science","2026","17","14","7244","7254","10.1039/d5sc08426a","","x-ray","1.54184","CuKα","","0.0336","0.032","","","0.0842","0.0854","","","","","","1.079","","","","has coordinates","306331","2026-06-05","18:37:49",""
"1576595","5.1077","0.0001","13.5327","0.0002","19.8203","0.0003","90","","90","","90","","1370","0.04","423.15","","423.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H20 N2 O3 Se -","- C11 H20 N2 O3 Se -","- C44 H80 N8 O12 Se4 -","4","1","","Milewska, Karen D.; Schwartz, Brett D.; Canning, Jemimah R.; Modak, Urvi; Attard, Flynn C.; Gardiner, Michael G.; Van Raad, Damian; Huber, Thomas; Malins, Lara R.","Iso-pseudoprolines as versatile tools for late-stage peptide backbone modifications.","Chemical science","2026","17","14","7244","7254","10.1039/d5sc08426a","","x-ray","1.54184","CuKα","","0.0292","0.0264","","","0.066","0.0681","","","","","","1.042","","","","has coordinates","306331","2026-06-05","18:37:49",""
"1576596","10.1644","0.0004","6.5037","0.0003","24.7063","0.0009","90","","96.502","0.004","90","","1622.73","0.12","149.99","0.1","149.99","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H19 N O5 Se -","- C17 H19 N O5 Se -","- C68 H76 N4 O20 Se4 -","4","1","","Milewska, Karen D.; Schwartz, Brett D.; Canning, Jemimah R.; Modak, Urvi; Attard, Flynn C.; Gardiner, Michael G.; Van Raad, Damian; Huber, Thomas; Malins, Lara R.","Iso-pseudoprolines as versatile tools for late-stage peptide backbone modifications.","Chemical science","2026","17","14","7244","7254","10.1039/d5sc08426a","","x-ray","0.71073","MoKα","","0.045","0.0368","","","0.0792","0.0827","","","","","","1.055","","","","has coordinates","306331","2026-06-05","18:37:49",""
"1576597","9.5496","0.0007","10.108","0.0008","17.362","0.0016","90.483","0.007","97.956","0.007","100.119","0.006","1633","0.2","179.99","0.1","179.99","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C19 H18 N2 O3 -","- C19 H18 N2 O3 -","- C76 H72 N8 O12 -","4","2","","Liu, Yang; Xie, Zi-Yi; Kloene, Lennard; Xu, Cong-Lun; Tai, Jian-Peng; Zhu, Yu; Cai, Bao-Gui; Pan, Chongqing; Koenigs, Rene M.; Xuan, Jun","Visible light-induced 1,2-alkoxy shift of α-diazoacetates for Wolff rearrangements - access to oxyketenes.","Chemical science","2026","17","7","3587","3592","10.1039/d5sc08263c","","x-ray","0.71073","MoKα","","0.1432","0.1126","","","0.2851","0.308","","","","","","1.08","","","","has coordinates","304888","2026-03-05","12:32:15",""
"1576598","8.505","0.0003","9.0705","0.0002","13.1678","0.0004","84.919","0.002","71.48","0.003","75.36","0.002","931.91","0.05","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H21 N O2 -","- C23 H21 N O2 -","- C46 H42 N2 O4 -","2","1","","Liu, Yang; Xie, Zi-Yi; Kloene, Lennard; Xu, Cong-Lun; Tai, Jian-Peng; Zhu, Yu; Cai, Bao-Gui; Pan, Chongqing; Koenigs, Rene M.; Xuan, Jun","Visible light-induced 1,2-alkoxy shift of α-diazoacetates for Wolff rearrangements - access to oxyketenes.","Chemical science","2026","17","7","3587","3592","10.1039/d5sc08263c","","x-ray","1.54184","CuKα","","0.0671","0.0542","","","0.1537","0.1643","","","","","","1.045","","","","has coordinates","304888","2026-03-05","12:32:15",""
"1576599","12.8522","0.0006","12.8465","0.0006","5.2547","0.0003","90","","90","","90","","867.58","0.08","273.15","","273.15","","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C10.01 H12.01 F2 Li N5 O4 S2 -","- C10 H12 F2 Li N5 O4 S2 -","- C20 H24 F4 Li2 N10 O8 S4 -","2","0.5","","Nishiguchi, Taichi; Kageyama, Kotoha; Kurihara, Takuya; Shimanaka, Nanae; Tokuda, Shun; Tsuda, Shuto; Ma, Nattapol; Horike, Satoshi","Soft crystalline properties of 2D frameworks constructed from lithium ions and dinitriles.","Chemical science","2026","17","7","3669","3674","10.1039/d5sc06222e","","x-ray","0.71073","MoKα","","0.0962","0.0368","","","0.0783","0.0995","","","","","","1.016","","","","has coordinates,has disorder","304889","2026-03-05","12:32:52",""
"1576600","21.3025","0.0001","21.3025","0.0001","6.4513","0.0001","90","","90","","90","","2927.58","0.05","100","0.1","100","0.1","","","","","","","","7","P -4","P -4","81","","","","- C26 H24 F6 Li N5 O4 S2 -","- C26 H24 F6 Li N5 O4 S2 -","- C104 H96 F24 Li4 N20 O16 S8 -","4","1","","Nishiguchi, Taichi; Kageyama, Kotoha; Kurihara, Takuya; Shimanaka, Nanae; Tokuda, Shun; Tsuda, Shuto; Ma, Nattapol; Horike, Satoshi","Soft crystalline properties of 2D frameworks constructed from lithium ions and dinitriles.","Chemical science","2026","17","7","3669","3674","10.1039/d5sc06222e","","x-ray","1.54184","CuKα","","0.0278","0.0261","","","0.0703","0.0716","","","","","","1.044","","","","has coordinates","304889","2026-03-05","12:32:52",""
"1576601","5.1756","0.0004","15.2002","0.0013","20.2029","0.0015","90","","90","","90","","1589.4","0.2","273.15","","273.15","","","","","","","","","7","P b c m","-P 2c 2b","57","","","","- C9 H10 F2 Li N5 O4 S2 -","- C9 H10 F2 Li N5 O4 S2 -","- C36 H40 F8 Li4 N20 O16 S8 -","4","0.5","","Nishiguchi, Taichi; Kageyama, Kotoha; Kurihara, Takuya; Shimanaka, Nanae; Tokuda, Shun; Tsuda, Shuto; Ma, Nattapol; Horike, Satoshi","Soft crystalline properties of 2D frameworks constructed from lithium ions and dinitriles.","Chemical science","2026","17","7","3669","3674","10.1039/d5sc06222e","","x-ray","0.71073","MoKα","","0.0892","0.063","","","0.1841","0.2039","","","","","","1.072","","","","has coordinates,has disorder","304889","2026-03-05","12:32:52",""
"1576602","13.6403","0.0001","7.84","0.0001","25.3454","0.0002","90","","94.102","0.001","90","","2703.49","0.05","150","0.1","150","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H12 N2 O S -","- C17 H12 N2 O S -","- C136 H96 N16 O8 S8 -","8","1","","Chen-Wu, Jialei; Benitez-Martin, Carlos; González-Delgado, José A; de Jong, Flip; Fron, Eduard; Steurs, Gert; Martínez-Martínez, Antonio J; Nájera, Francisco; Grøtli, Morten; Hofkens, Johan; Andréasson, Joakim; Pischel, Uwe","Heteroaryl iminothioindoxyl (HA-ITI) photoswitches <i>via</i> regioselective aza-Wittig synthesis: unifying red-shifted absorption, large <i>E</i>/<i>Z</i> band separation, and tunable thermal recovery.","Chemical science","2026","17","7","3658","3668","10.1039/d5sc08074f","","x-ray","1.54184","CuKα","","0.0336","0.0333","","","0.0921","0.0923","","","","","","1.136","","","","has coordinates","304890","2026-03-05","12:33:29",""
"1576603","19.736","0.0004","4.8714","0.0001","26.2576","0.0004","90","","101.07","0.002","90","","2477.49","0.08","150","0.1","150","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C15 H9 N3 O S -","- C15 H9 N3 O S -","- C120 H72 N24 O8 S8 -","8","1","","Chen-Wu, Jialei; Benitez-Martin, Carlos; González-Delgado, José A; de Jong, Flip; Fron, Eduard; Steurs, Gert; Martínez-Martínez, Antonio J; Nájera, Francisco; Grøtli, Morten; Hofkens, Johan; Andréasson, Joakim; Pischel, Uwe","Heteroaryl iminothioindoxyl (HA-ITI) photoswitches <i>via</i> regioselective aza-Wittig synthesis: unifying red-shifted absorption, large <i>E</i>/<i>Z</i> band separation, and tunable thermal recovery.","Chemical science","2026","17","7","3658","3668","10.1039/d5sc08074f","","x-ray","0.71073","MoKα","","0.0469","0.038","","","0.1024","0.107","","","","","","1.045","","","","has coordinates","304890","2026-03-05","12:33:29",""
"1576604","7.6266","0.0001","7.9225","0.0001","24.4377","0.0003","81.144","0.001","82.116","0.001","64.126","0.001","1308.64","0.03","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C16 H11 N3 O S -","- C16 H11 N3 O S -","- C64 H44 N12 O4 S4 -","4","2","","Chen-Wu, Jialei; Benitez-Martin, Carlos; González-Delgado, José A; de Jong, Flip; Fron, Eduard; Steurs, Gert; Martínez-Martínez, Antonio J; Nájera, Francisco; Grøtli, Morten; Hofkens, Johan; Andréasson, Joakim; Pischel, Uwe","Heteroaryl iminothioindoxyl (HA-ITI) photoswitches <i>via</i> regioselective aza-Wittig synthesis: unifying red-shifted absorption, large <i>E</i>/<i>Z</i> band separation, and tunable thermal recovery.","Chemical science","2026","17","7","3658","3668","10.1039/d5sc08074f","","x-ray","1.54184","CuKα","","0.0357","0.0341","","","0.0917","0.0929","","","","","","1.056","","","","has coordinates","304890","2026-03-05","12:33:29",""
"1576605","13.9525","0.0009","32.012","0.003","17.194","0.0014","90","","99.868","0.002","90","","7566","1.1","172","2","172","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C82 H118 B Cr F4 N14 -","- C64 H76 B Cr F4 N14 -","- C256 H304 B4 Cr4 F16 N56 -","4","1","","Yaltseva, P.; Wittwer, B.; Leitner, D.; Neururer, F. R.; Tambornino, F.; Schmidt, A.; Munz, D.; Wenger, O. S.; Hohloch, S.","Interplay between ligand field strength and the nephelauxetic effect in chromium(iii) complexes with anionic amido ligands.","Chemical science","2026","17","17","8760","8771","10.1039/d5sc09069e","","","0.71073","MoKα","","0.089","0.0732","","","0.1989","0.2138","","","","","","1.037","","","","has coordinates,has disorder","306305","2026-06-05","18:32:47",""
"1576606","10.6942","0.0009","23.5231","0.0019","23.714","0.002","90","","93.368","0.003","90","","5955.2","0.9","153","","153","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C61.1 H74.2 B Cr F4 N10 O1.7 -","- C56 H64 B Cr F4 N10 -","- C224 H256 B4 Cr4 F16 N40 -","4","1","","Yaltseva, P.; Wittwer, B.; Leitner, D.; Neururer, F. R.; Tambornino, F.; Schmidt, A.; Munz, D.; Wenger, O. S.; Hohloch, S.","Interplay between ligand field strength and the nephelauxetic effect in chromium(iii) complexes with anionic amido ligands.","Chemical science","2026","17","17","8760","8771","10.1039/d5sc09069e","","","0.71073","MoKα","","0.0975","0.06","","","0.1562","0.1761","","","","","","1.04","","","","has coordinates,has disorder","306305","2026-06-05","18:32:47",""
"1576607","16.8581","0.0017","16.8406","0.0017","34.208","0.003","90","","90","","90","","9711.7","1.6","100","2","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(TMS-TREN)MoCH","","- C32 H80 Mo2 N8 Si6 -","- C32 H80 Mo2 N8 Si6 -","- C256 H640 Mo16 N64 Si48 -","8","1","","Mukkera, Rajesh; Le, Nghia; Woo, Chandler I.; Webster, Charles Edwin; Creutz, Sidney E.","A readily accessible CH anion transfer reagent for the preparation of a molybdenum methylidyne complex.","Chemical science","2026","17","17","8780","8786","10.1039/d5sc07469j","","","0.71073","MoKα","","0.0457","0.0346","","","0.0797","0.0852","","","","","","1.063","","","","has coordinates,has disorder","306300","2026-06-05","18:31:37",""
"1576608","12.7715","0.0001","11.7087","0.0001","16.4965","0.0001","90","","99.806","0.001","90","","2430.81","0.03","100","0.1","100","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C44 H68 Mo2 O S8 U Zr -","- C44 H68 Mo2 O S8 U Zr -","- C88 H136 Mo4 O2 S16 U2 Zr2 -","2","1","","Valerio, Leyla R.; Dopp, Claire M.; Brennessel, William W.; Matson, Ellen M.","Tuning reactivity at uranium through heterometal substitution in a redox-active thiomolybdate metalloligand.","Chemical science","2026","17","15","7496","7508","10.1039/d5sc09711h","","","1.54184","CuKα","","0.0233","0.0226","","","0.0586","0.0589","","","","","","1.072","","","","has coordinates,has disorder","305784","2026-05-05","08:57:40",""
"1576609","23.5596","0.0002","23.5596","0.0002","8.2024","0.0001","90","","90","","90","","4552.78","0.08","100","0.1","100","0.1","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C20 H30 Mo2 S4 -","- C20 H30 Mo2 S4 -","- C160 H240 Mo16 S32 -","8","1","","Valerio, Leyla R.; Dopp, Claire M.; Brennessel, William W.; Matson, Ellen M.","Tuning reactivity at uranium through heterometal substitution in a redox-active thiomolybdate metalloligand.","Chemical science","2026","17","15","7496","7508","10.1039/d5sc09711h","","x-ray","1.54184","CuKα","","0.0232","0.022","","","0.056","0.0565","","","","","","1.07","","","","has coordinates","305784","2026-05-05","08:57:40",""
"1576610","10.9927","0.0002","11.2521","0.0003","16.3898","0.0003","89.584","0.002","79.031","0.002","66.672","0.002","1822.32","0.07","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C66 H90 D6 K2 Mo4 S8 Zr2 -","- C66 H90 D6 K2 Mo4 S8 Zr2 -","- C66 H90 D6 K2 Mo4 S8 Zr2 -","1","0.5","","Valerio, Leyla R.; Dopp, Claire M.; Brennessel, William W.; Matson, Ellen M.","Tuning reactivity at uranium through heterometal substitution in a redox-active thiomolybdate metalloligand.","Chemical science","2026","17","15","7496","7508","10.1039/d5sc09711h","","x-ray","1.54184","CuKα","","0.056","0.0519","","","0.1222","0.1242","","","","","","1.134","","","","has coordinates","305784","2026-05-05","08:57:40",""
"1576611","11.6219","0.0001","13.1502","0.0001","17.5967","0.0002","72.903","0.001","81.016","0.001","76.543","0.001","2488.73","0.04","100","0.1","100","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C47 H68 Cl1.406 I0.594 Mo2 S4 U Zr -","- C47 H68 Cl1.407 I0.593 Mo2 S4 U Zr -","- C94 H136 Cl2.814 I1.186 Mo4 S8 U2 Zr2 -","2","1","","Valerio, Leyla R.; Dopp, Claire M.; Brennessel, William W.; Matson, Ellen M.","Tuning reactivity at uranium through heterometal substitution in a redox-active thiomolybdate metalloligand.","Chemical science","2026","17","15","7496","7508","10.1039/d5sc09711h","","x-ray","1.54184","CuKα","","0.0345","0.034","","","0.0844","0.0849","","","","","","1.079","","","","has coordinates,has disorder","305784","2026-05-05","08:57:40",""
"1576612","11.1822","0.0002","13.5657","0.0002","22.4202","0.0002","72.476","0.001","88.3","0.001","67.304","0.001","2977.54","0.08","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C62.5 H82 Mo2 N2 S4 U Zr -","- C62.5 H82 Mo2 N2 S4 U Zr -","- C125 H164 Mo4 N4 S8 U2 Zr2 -","2","1","","Valerio, Leyla R.; Dopp, Claire M.; Brennessel, William W.; Matson, Ellen M.","Tuning reactivity at uranium through heterometal substitution in a redox-active thiomolybdate metalloligand.","Chemical science","2026","17","15","7496","7508","10.1039/d5sc09711h","","x-ray","1.54184","CuKα","","0.0237","0.0222","","","0.0523","0.0529","","","","","","1.047","","","","has coordinates,has disorder","305784","2026-05-05","08:57:40",""
"1576613","14.2943","0.0002","18.0623","0.0003","21.4605","0.0003","67.289","0.002","88.209","0.001","74.791","0.001","4916.92","0.15","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C45 H60 I2 Mo2 S4 U -","- C45 H60 I2 Mo2 S4 U -","- C180 H240 I8 Mo8 S16 U4 -","4","2","","Valerio, Leyla R.; Dopp, Claire M.; Brennessel, William W.; Matson, Ellen M.","Tuning reactivity at uranium through heterometal substitution in a redox-active thiomolybdate metalloligand.","Chemical science","2026","17","15","7496","7508","10.1039/d5sc09711h","","x-ray","0.71073","MoKα","","0.0411","0.0278","","","0.0479","0.0501","","","","","","1.039","","","","has coordinates,has disorder","305784","2026-05-05","08:57:40",""
"1576614","11.4129","0.0004","12.0896","0.0004","16.1295","0.0005","90","","94.285","0.003","90","","2219.29","0.13","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 Co N2 O6 P -","- C18 H17 Co N2 O6 P -","- C72 H68 Co4 N8 O24 P4 -","4","1","","Joukar Bahaderani, Ehsan; Mohammadi, Khosro; Hayati, Payam; Janczak, Jan","A mesoporous two-dimensional cobalt-phosphonocarboxylate metal organic framework (Co-MOF) as an efficient and recyclable catalyst for solvent-free multicomponent reactions.","Nanoscale","2026","18","7","3904","3919","10.1039/d5nr03924j","","","0.71073","MoKα","","0.0621","0.0385","","","0.082","0.0913","","","","","","1.002","","","","has coordinates","304559","2026-02-20","01:35:32",""
"1576615","10.0466","0.0003","17.0996","0.0005","8.7161","0.0002","90","","90","","90","","1497.36","0.07","223","","223","","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C8 H20 Br3 N Sn -","- C8 H20 Br3 N Sn -","- C32 H80 Br12 N4 Sn4 -","4","0.5","","Kang, Yuwei; Yang, Can; Wang, Yunjie; Wu, Qi","Halogen-ion-driven polymorphs for high-performance nonlinear optical crystalline materials.","Chemical science","2026","17","16","8084","8089","10.1039/d5sc10064j","","","1.54184","CuKα","","0.0512","0.0506","","","0.1266","0.1267","","","","","","1.097","","","","has coordinates,has disorder","305771","2026-05-05","08:54:00",""
"1576616","17.1273","0.0007","33.122","0.0013","13.2631","0.0005","90","","127.506","0.002","90","","5968.7","0.4","223","","223","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C8 H20 Br3 N Sn -","- C8 H20 Br3 N Sn -","- C128 H320 Br48 N16 Sn16 -","16","4","","Kang, Yuwei; Yang, Can; Wang, Yunjie; Wu, Qi","Halogen-ion-driven polymorphs for high-performance nonlinear optical crystalline materials.","Chemical science","2026","17","16","8084","8089","10.1039/d5sc10064j","","","1.54178","CuKα","","0.0871","0.0839","","","0.2198","0.2276","","","","","","1.069","","","","has coordinates","305771","2026-05-05","08:54:00",""
"1576617","12.7645","0.0003","12.7645","0.0003","25.9354","0.001","90","","90","","90","","4225.7","0.2","100","","100","","","","","","","","","5","P 43","P 4cw","78","","","","- C44 H40 N O4 P -","- C44 H40 N O4 P -","- C176 H160 N4 O16 P4 -","4","1","","Chen, Xiao-Bing; Padín, Damián; Feringa, Ben L.","Stereoselective additions to alkenylphosphonium salts for the synthesis of P-stereogenic compounds.","Chemical science","2026","17","15","7575","7581","10.1039/d5sc09946c","","","1.54178","CuKα","","0.0588","0.0547","","","0.1423","0.1462","","","","","","1.078","","","","has coordinates","305786","2026-05-05","08:58:26",""
"1576618","15.1","0.002","32.293","0.005","22.835","0.003","90","","106.375","0.006","90","","10683","3","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","FUC-Se","","- C34 H34 N2 O5 Se -","- C34 H34 N2 O5 Se -","- C408 H408 N24 O60 Se12 -","12","3","","Ma, Dandan; Bian, Hui; Pan, Fei; Zhou, Danhong; Chen, Zhi; Ge, Haoying; Guo, Yuanlang; Wu, Yingnan; He, Xin; Zhou, Panwang; Wang, Lei; Chen, Xiaoqiang; Peng, Xiaojun","Zero-trigger ultrafast charge-transfer J-aggregates <i>via</i> Se/π-directed assembly enable synchronous ROS/heat amplification for NIR-II photoimmunotherapy.","Chemical science","2026","17","16","8061","8075","10.1039/d5sc08871b","","","1.54178","CuKα","","0.1484","0.1314","","","0.4375","0.4673","","","","","","1.042","","","","has coordinates","306316","2026-06-05","18:34:53",""
"1576619","7.2625","0.0002","9.8875","0.0003","9.8901","0.0003","75.867","0.002","88.35","0.002","89.219","0.002","688.39","0.04","120","","120","","","","","","","","","5","P -1","-P 1","2","1,6 diaminohexane tetrachlorocobaltate(II)","hexane-1,6-bis(aminium) tetrachloro-cobalt(ii)","","- C6 H18 Cl4 Co N2 -","- C6 H18 Cl4 Co N2 -","- C12 H36 Cl8 Co2 N4 -","2","1","","El Mustafa Ouaaka; Mustapha Aazza; El Mostafa Khechoubi; Mahmoud Ettakni; Thierry Maris","Synthesis, optical and photovoltaic properties, and Hirshfeld surface analysis of hybrid organic-inorganic 2C6CoCl4","Journal of Physics and Chemistry of Solids","2026","210","","113329","","10.1016/j.jpcs.2025.113329","","x-ray","1.34139","GaKα","","0.0315","0.031","","","0.0795","0.0798","","","","","","1.103","","","","has coordinates,has Fobs","304582","2026-02-23","20:56:59",""
"1576620","7.2686","0.0001","9.9764","0.0002","9.9859","0.0002","75.227","0.001","86.781","0.001","88.371","0.001","699.01","0.02","220","","220","","","","","","","","","5","P -1","-P 1","2","1,6 diaminohexane tetrachlorocobaltate(II)","hexane-1,6-bis(aminium) tetrachloro-cobalt(ii)","","- C6 H18 Cl4 Co N2 -","- C6 H18 Cl4 Co N2 -","- C12 H36 Cl8 Co2 N4 -","2","1","","El Mustafa Ouaaka; Mustapha Aazza; El Mostafa Khechoubi; Mahmoud Ettakni; Thierry Maris","Synthesis, optical and photovoltaic properties, and Hirshfeld surface analysis of hybrid organic-inorganic 2C6CoCl4","Journal of Physics and Chemistry of Solids","2026","210","","113329","","10.1016/j.jpcs.2025.113329","","x-ray","1.34139","GaKα","","0.0371","0.035","","","0.0907","0.0938","","","","","","1.098","","","","has coordinates,has Fobs","304583","2026-02-23","20:57:09",""
"1576621","7.2806","0.0002","10.109","0.0003","10.1333","0.0003","74.021","0.002","87.814","0.002","85.726","0.002","714.88","0.04","320","","320.15","","","","","","","","","5","P -1","-P 1","2","1,6 diaminohexane tetrachlorocobaltate(II)","hexane-1,6-bis(aminium) tetrachloro-cobalt(ii)","","- C6 H18 Cl4 Co N2 -","- C6 H18 Cl4 Co N2 -","- C12 H36 Cl8 Co2 N4 -","2","1","","El Mustafa Ouaaka; Mustapha Aazza; El Mostafa Khechoubi; Mahmoud Ettakni; Thierry Maris","Synthesis, optical and photovoltaic properties, and Hirshfeld surface analysis of hybrid organic-inorganic 2C6CoCl4","Journal of Physics and Chemistry of Solids","2026","210","","113329","","10.1016/j.jpcs.2025.113329","","","1.34139","GaKα","","0.0558","0.0486","","","0.1285","0.1335","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","304584","2026-02-23","20:57:18",""
"1576622","10.977","0.002","11.712","0.003","12.949","0.003","95.407","0.005","103.657","0.005","103.77","0.005","1551.1","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H35 Br N2 Ni -","- C36 H35 Br N2 Ni -","- C72 H70 Br2 N4 Ni2 -","2","1","","Redl, Samuel; Halas, Simon; Monkowius, Uwe; Topf, Christoph","Exploring the bimodal nature of a nickel-based catalytic system for the hydrogenation of alkenes and polycyclic aromatic hydrocarbons","Catalysis Science & Technology","2026","16","4","1238","1249","10.1039/D5CY01341K","","x-ray","0.71073","MoKa","","0.0845","0.0447","","","0.1075","0.1176","","","","","","1.107","","","","has coordinates","304585","2026-02-23","22:43:37",""
"1576623","12.2007","0.0004","31.66","0.0009","10.5824","0.0003","90","","93.398","0.001","90","","4080.5","0.2","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C37 H50 Br N2 Ni -","- C37 H50 Br N2 Ni -","- C148 H200 Br4 N8 Ni4 -","4","1","","Redl, Samuel; Halas, Simon; Monkowius, Uwe; Topf, Christoph","Exploring the bimodal nature of a nickel-based catalytic system for the hydrogenation of alkenes and polycyclic aromatic hydrocarbons","Catalysis Science & Technology","2026","16","4","1238","1249","10.1039/D5CY01341K","","x-ray","0.71073","MoKa","","0.0754","0.0492","","","0.1301","0.1413","","","","","","1.002","","","","has coordinates","304585","2026-02-23","22:43:38",""
"1576624","16.2483","0.0015","16.9672","0.0016","8.7426","0.0008","90","","100.492","0.002","90","","2369.9","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H32 N2 Ni -","- C26 H32 N2 Ni -","- C104 H128 N8 Ni4 -","4","1","","Redl, Samuel; Halas, Simon; Monkowius, Uwe; Topf, Christoph","Exploring the bimodal nature of a nickel-based catalytic system for the hydrogenation of alkenes and polycyclic aromatic hydrocarbons","Catalysis Science & Technology","2026","16","4","1238","1249","10.1039/D5CY01341K","","x-ray","0.71073","MoKa","","0.1134","0.0599","","","0.1554","0.1753","","","","","","1.09","","","","has coordinates","304585","2026-02-23","22:43:38",""
"1576625","11.702","0.003","14.611","0.003","15.051","0.003","104.655","0.009","103.443","0.009","95.282","0.009","2390.1","0.9","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C47 H58 N4 Ni2 -","- C47 H58 N4 Ni2 -","- C94 H116 N8 Ni4 -","2","1","","Redl, Samuel; Halas, Simon; Monkowius, Uwe; Topf, Christoph","Exploring the bimodal nature of a nickel-based catalytic system for the hydrogenation of alkenes and polycyclic aromatic hydrocarbons","Catalysis Science & Technology","2026","16","4","1238","1249","10.1039/D5CY01341K","","","0.71073","MoKα","","0.0938","0.0647","","","0.2086","0.2266","","","","","","1.069","","","","has coordinates,has disorder","304585","2026-02-23","22:43:38",""
"1576626","12.0486","0.0004","31.6028","0.001","10.6772","0.0003","90","","92.982","0.001","90","","4060","0.2","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C37 H53 Cl N2 Ni -","- C37 H53 Cl N2 Ni -","- C148 H212 Cl4 N8 Ni4 -","4","1","","Redl, Samuel; Halas, Simon; Monkowius, Uwe; Topf, Christoph","Exploring the bimodal nature of a nickel-based catalytic system for the hydrogenation of alkenes and polycyclic aromatic hydrocarbons","Catalysis Science & Technology","2026","16","4","1238","1249","10.1039/D5CY01341K","","x-ray","0.71073","MoKa","","0.0825","0.0528","","","0.1373","0.1479","","","","","","0.989","","","","has coordinates","304585","2026-02-23","22:43:38",""
"1576627","11.352","0.0007","16.5221","0.0011","20.3395","0.0014","85.126","0.002","78.915","0.002","76.11","0.002","3631.2","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H68 Cl2 N4 Ni2 -","- C72 H68 Cl2 N4 Ni2 -","- C144 H136 Cl4 N8 Ni4 -","2","1","","Redl, Samuel; Halas, Simon; Monkowius, Uwe; Topf, Christoph","Exploring the bimodal nature of a nickel-based catalytic system for the hydrogenation of alkenes and polycyclic aromatic hydrocarbons","Catalysis Science & Technology","2026","16","4","1238","1249","10.1039/D5CY01341K","","x-ray","0.71073","MoKa","","0.1082","0.0668","","","0.157","0.1741","","","","","","1.032","","","","has coordinates","304585","2026-02-23","22:43:39",""
"1576628","12.6985","0.0003","36.7921","0.001","12.873","0.0004","90","","90","","90","","6014.3","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H44 N2 Ni -","- C32 H44 N2 Ni -","- C256 H352 N16 Ni8 -","8","2","","Redl, Samuel; Halas, Simon; Monkowius, Uwe; Topf, Christoph","Exploring the bimodal nature of a nickel-based catalytic system for the hydrogenation of alkenes and polycyclic aromatic hydrocarbons","Catalysis Science & Technology","2026","16","4","1238","1249","10.1039/D5CY01341K","","x-ray","0.71073","MoKa","","0.2046","0.0715","","","0.1692","0.2064","","","","","","0.93","","","","has coordinates","304585","2026-02-23","22:43:39",""
"1576629","21.2448","0.0012","18.7524","0.0008","18.5759","0.0008","90","","115.889","0.001","90","","6657.8","0.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C79 H80 N4 Ni2 -","- C79 H80 N4 Ni2 -","- C316 H320 N16 Ni8 -","4","1","","Redl, Samuel; Halas, Simon; Monkowius, Uwe; Topf, Christoph","Exploring the bimodal nature of a nickel-based catalytic system for the hydrogenation of alkenes and polycyclic aromatic hydrocarbons","Catalysis Science & Technology","2026","16","4","1238","1249","10.1039/D5CY01341K","","","0.71073","MoKα","","0.1286","0.0581","","","0.131","0.1536","","","","","","1.041","","","","has coordinates,has disorder","304585","2026-02-23","22:43:39",""
"1576630","20.76973","0.00031","20.76973","","20.76973","","90","","90","","90","","8959.68","0.13","298","1","298","1","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C24 N3 O16 Zr3 -","- C24 N3 O16 Zr3 -","- C192 N24 O128 Zr24 -","8","0.0416667","","Liu, Yongling; Huang, Zhaohui; Zhang, Senlin; Zhan, Ruoning; Wang, Yingxinjie; Xie, Xiuqiang; Zhang, Nan","Hierarchical hollow UiO-66-NH2/CdS heterostructure with synergistic mass transport and charge separation for enhanced photocatalytic hydrogen production","Catalysis Science & Technology","2026","16","4","1322","1331","10.1039/D5CY01232E","powder diffraction","","0.72768","Synchrotron","","","","","","","","","","","","","","","","","has coordinates","304586","2026-02-23","22:44:07",""
"1576631","9.1872","0.0001","38.0186","0.0003","16.4133","0.0001","90","","96.373","0.001","90","","5697.48","0.08","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C62 H98 B2 N4 -","- C62 H98 B2 N4 -","- C248 H392 B8 N16 -","4","1","","Weber, Marco; Kar, Sourav; Joos, Pia; Dewhurst, Rian D.; Braunschweig, Holger","N-H/P-H bond activation of ammonia, amines and phosphines at a transient borylene.","Chemical science","2026","17","16","8189","8196","10.1039/d6sc00526h","","x-ray","1.54184","CuKα","K-L~2,3~","0.0493","0.0452","","","0.1237","0.1268","","","","","","1.051","","","","has coordinates,has disorder","306317","2026-06-05","18:35:00",""
"1576632","9.5838","0.0001","19.0377","0.0002","26.7818","0.0004","88.828","0.001","84.835","0.001","87.874","0.001","4862.52","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H53 B N2 -","- C37 H53 B N2 -","- C222 H318 B6 N12 -","6","3","","Weber, Marco; Kar, Sourav; Joos, Pia; Dewhurst, Rian D.; Braunschweig, Holger","N-H/P-H bond activation of ammonia, amines and phosphines at a transient borylene.","Chemical science","2026","17","16","8189","8196","10.1039/d6sc00526h","","x-ray","1.54184","CuKα","K-L~2,3~","0.0494","0.0461","","","0.1235","0.1261","","","","","","1.034","","","","has coordinates,has disorder","306317","2026-06-05","18:35:00",""
"1576633","9.5748","0.0002","25.2253","0.0004","12.8086","0.0002","90","","106.499","0.002","90","","2966.24","0.1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H51 B N2 -","- C32 H51 B N2 -","- C128 H204 B4 N8 -","4","1","","Weber, Marco; Kar, Sourav; Joos, Pia; Dewhurst, Rian D.; Braunschweig, Holger","N-H/P-H bond activation of ammonia, amines and phosphines at a transient borylene.","Chemical science","2026","17","16","8189","8196","10.1039/d6sc00526h","","x-ray","1.54184","CuKα","K-L~2,3~","0.0472","0.0396","","","0.1052","0.11","","","","","","1.056","","","","has coordinates","306317","2026-06-05","18:35:00",""
"1576634","16.9366","0.0003","9.8374","0.0002","19.1534","0.0003","90","","100.259","0.002","90","","3140.17","0.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H55 B N2 -","- C35 H55 B N2 -","- C140 H220 B4 N8 -","4","1","","Weber, Marco; Kar, Sourav; Joos, Pia; Dewhurst, Rian D.; Braunschweig, Holger","N-H/P-H bond activation of ammonia, amines and phosphines at a transient borylene.","Chemical science","2026","17","16","8189","8196","10.1039/d6sc00526h","","x-ray","1.54184","CuKα","K-L~2,3~","0.046","0.0422","","","0.107","0.1094","","","","","","1.035","","","","has coordinates","306317","2026-06-05","18:35:00",""
"1576635","17.7397","0.0002","19.4055","0.0002","34.7313","0.0004","90","","90","","90","","11956.2","0.2","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C65 H99 B2 Cl N3 -","- C65 H99 B2 Cl N3 -","- C520 H792 B16 Cl8 N24 -","8","1","","Weber, Marco; Kar, Sourav; Joos, Pia; Dewhurst, Rian D.; Braunschweig, Holger","N-H/P-H bond activation of ammonia, amines and phosphines at a transient borylene.","Chemical science","2026","17","16","8189","8196","10.1039/d6sc00526h","","x-ray","1.54184","CuKα","K-L~2,3~","0.0545","0.0494","","","0.1341","0.1373","","","","","","1.045","","","","has coordinates","306317","2026-06-05","18:35:00",""
"1576636","30.8495","0.0002","11.48758","0.00007","18.28097","0.00013","90","","103.162","0.0008","90","","6308.32","0.07","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H51 B N P -","- C36 H51 B N P -","- C288 H408 B8 N8 P8 -","8","1","","Weber, Marco; Kar, Sourav; Joos, Pia; Dewhurst, Rian D.; Braunschweig, Holger","N-H/P-H bond activation of ammonia, amines and phosphines at a transient borylene.","Chemical science","2026","17","16","8189","8196","10.1039/d6sc00526h","","x-ray","1.54184","CuKα","K-L~2,3~","0.0354","0.0343","","","0.0908","0.0916","","","","","","1.046","","","","has coordinates","306317","2026-06-05","18:35:00",""
"1576637","8.7124","0.0006","9.3436","0.0007","19.0266","0.0015","77.047","0.006","89.104","0.006","70.336","0.006","1418.4","0.19","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C25 H51 Al N2 O Si2 -","- C25 H51 Al N2 O Si2 -","- C50 H102 Al2 N4 O2 Si4 -","2","1","","Herle, Dominic; Wurm, Frerik; Lichtenberg, Crispin; Dankert, Fabian","Al(ii) transfer harnessing a well-defined cadmium precursor.","Chemical science","2026","17","16","7997","8006","10.1039/d6sc00437g","","x-ray","1.54186","CuKα","","0.1358","0.0797","","","0.1974","0.2393","","","","","","1.017","","","","has coordinates","305769","2026-05-05","08:53:33",""
"1576638","19.8826","0.0006","10.2863","0.0003","16.5219","0.0005","90","","127.024","0.002","90","","2697.76","0.16","100","","100","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C22 H46 Al N3 O2 Si2 -","- C22 H46 Al N3 O2 Si2 -","- C88 H184 Al4 N12 O8 Si8 -","4","1","","Herle, Dominic; Wurm, Frerik; Lichtenberg, Crispin; Dankert, Fabian","Al(ii) transfer harnessing a well-defined cadmium precursor.","Chemical science","2026","17","16","7997","8006","10.1039/d6sc00437g","","x-ray","1.54186","CuKα","","0.0507","0.0498","","","0.1354","0.1366","","","","","","1.075","","","","has coordinates,has disorder","305769","2026-05-05","08:53:33",""
"1576639","9.7451","0.0005","16.1889","0.0007","16.4705","0.0008","90","","104.874","0.004","90","","2511.4","0.2","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H38 Al N S Si2 -","- C22 H38 Al N S Si2 -","- C88 H152 Al4 N4 S4 Si8 -","4","1","","Herle, Dominic; Wurm, Frerik; Lichtenberg, Crispin; Dankert, Fabian","Al(ii) transfer harnessing a well-defined cadmium precursor.","Chemical science","2026","17","16","7997","8006","10.1039/d6sc00437g","","x-ray","0.71073","MoKα","","0.0746","0.0486","","","0.127","0.1371","","","","","","1.064","","","","has coordinates","305769","2026-05-05","08:53:33",""
"1576640","9.5257","0.0012","16.5954","0.0017","16.708","0.002","97.633","0.009","101.799","0.009","97.348","0.009","2529.6","0.5","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C22 H38 Al N Se Si2 -","- C22 H38 Al N Se Si2 -","- C88 H152 Al4 N4 Se4 Si8 -","4","2","","Herle, Dominic; Wurm, Frerik; Lichtenberg, Crispin; Dankert, Fabian","Al(ii) transfer harnessing a well-defined cadmium precursor.","Chemical science","2026","17","16","7997","8006","10.1039/d6sc00437g","","x-ray","1.54186","CuKα","","0.123","0.0668","","","0.1488","0.1865","","","","","","0.993","","","","has coordinates","305769","2026-05-05","08:53:33",""
"1576641","15.539","0.0006","10.1981","0.0003","39.1578","0.0016","90","","101.267","0.003","90","","6085.7","0.4","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H53 Al N2 O2 Si2 -","- C26 H53 Al N2 O2 Si2 -","- C208 H424 Al8 N16 O16 Si16 -","8","2","","Herle, Dominic; Wurm, Frerik; Lichtenberg, Crispin; Dankert, Fabian","Al(ii) transfer harnessing a well-defined cadmium precursor.","Chemical science","2026","17","16","7997","8006","10.1039/d6sc00437g","","x-ray","1.54186","CuKα","","0.1156","0.0643","","","0.156","0.1824","","","","","","0.986","","","","has coordinates","305769","2026-05-05","08:53:33",""
"1576642","9.1152","0.0015","11.564","0.003","12.5993","0.0017","74.993","0.015","82.902","0.012","87.557","0.017","1272.9","0.4","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C22 H38 Al N Si2 Te -","- C22 H38 Al N Si2 Te -","- C44 H76 Al2 N2 Si4 Te2 -","2","1","","Herle, Dominic; Wurm, Frerik; Lichtenberg, Crispin; Dankert, Fabian","Al(ii) transfer harnessing a well-defined cadmium precursor.","Chemical science","2026","17","16","7997","8006","10.1039/d6sc00437g","","x-ray","0.71073","MoKα","","0.0746","0.0471","","","0.0937","0.1017","","","","","","1.043","","","","has coordinates","305769","2026-05-05","08:53:33",""
"1576643","9.4975","0.0009","11.2097","0.0011","17.3553","0.0018","73.016","0.003","76.158","0.003","78.491","0.003","1699","0.3","150","2","150.15","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H32 B10 Co N6 O20 -","- C18 H32 B10 Co N6 O20 -","- C36 H64 B20 Co2 N12 O40 -","2","1","","Zhang, Xiao-Ting; Chen, Cun-Mao; Huang, Qi-Ming; Pan, Chun-Yang","Pyridylamine templated borate-derived Co nanoparticles anchored on N-doped carbon for enhanced oxygen reduction reaction in Al-air batteries.","Nanoscale","2026","18","12","6425","6433","10.1039/d5nr05081b","","","0.71073","MoKα","","0.1522","0.0689","","","0.1316","0.165","","","","","","1.01","","","","has coordinates","305410","2026-04-05","12:20:13",""
"1576644","23.1566","0.0016","11.3635","0.0007","15.4461","0.0009","90","","110.943","0.002","90","","3796","0.4","150","2","150.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H32 B10 Co N6 O19 -","- C24 H32 B10 Co N6 O19 -","- C96 H128 B40 Co4 N24 O76 -","4","0.5","","Zhang, Xiao-Ting; Chen, Cun-Mao; Huang, Qi-Ming; Pan, Chun-Yang","Pyridylamine templated borate-derived Co nanoparticles anchored on N-doped carbon for enhanced oxygen reduction reaction in Al-air batteries.","Nanoscale","2026","18","12","6425","6433","10.1039/d5nr05081b","","","0.71073","MoKα","","0.0538","0.036","","","0.0744","0.0836","","","","","","1.059","","","","has coordinates","305410","2026-04-05","12:20:13",""
"1576645","11.4946","0.0003","11.7114","0.0003","17.2449","0.0004","83.468","0.001","72.064","0.001","69.996","0.001","2075.31","0.09","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C56 H66 Mo12 N12 O42 -","- C56 H66 Mo12 N12 O42 -","- C56 H66 Mo12 N12 O42 -","1","0.5","","Bandaru, Rohith Phaneendra; Gaonkar, Asmita Dileep; Vankayala, Kiran; Tripuramallu, Bharat Kumar","Molecular engineering of polyoxometalate–porphyrin ion-pair hybrids: crystallographic insight and visible-light driven photocatalytic oxidative coupling of amines","Catalysis Science & Technology","2026","16","7","2276","2281","10.1039/D6CY00008H","","","0.71073","MoKα","","0.03","0.0269","","","0.0636","0.0653","","","","","","1.03","","","","has coordinates","305724","2026-05-05","08:33:10",""
"1576646","21.7604","0.0004","11.5604","0.0002","11.363","0.0002","90","","102.324","0.001","90","","2792.59","0.09","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H30 Cu N3 -","- C36 H30 Cu N3 -","- C144 H120 Cu4 N12 -","4","1","","Kumar, Ashish; Kim, Dooyoung; Dunphy, Sean P.; Lewis, Erin N.; Figueroa, Joshua S.; Teets, Thomas S.","Steric augmentation of three-coordinate Cu(i) β-diketiminate isocyanide chromophores to achieve microsecond excited-state lifetime.","Chemical science","2026","17","15","7659","7666","10.1039/d5sc09786j","","","1.54178","CuKα","","0.0381","0.0324","","","0.0819","0.0848","","","","","","1.063","","","","has coordinates","306334","2026-06-05","18:38:14",""
"1576647","10.745","0.01","23.32","0.02","13.062","0.012","90","","105.103","0.01","90","","3160","5","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H42 Cu N3 -","- C36 H42 Cu N3 -","- C144 H168 Cu4 N12 -","4","1","","Kumar, Ashish; Kim, Dooyoung; Dunphy, Sean P.; Lewis, Erin N.; Figueroa, Joshua S.; Teets, Thomas S.","Steric augmentation of three-coordinate Cu(i) β-diketiminate isocyanide chromophores to achieve microsecond excited-state lifetime.","Chemical science","2026","17","15","7659","7666","10.1039/d5sc09786j","","","0.71073","MoKα","","0.165","0.0641","","","0.0985","0.1267","","","","","","0.993","","","","has coordinates","306334","2026-06-05","18:38:14",""
"1576648","14.263","0.003","18.014","0.004","22.688","0.004","90","","90","","90","","5829","2","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C67 H86 Cu N3 -","- C67 H86 Cu N3 -","- C268 H344 Cu4 N12 -","4","1","","Kumar, Ashish; Kim, Dooyoung; Dunphy, Sean P.; Lewis, Erin N.; Figueroa, Joshua S.; Teets, Thomas S.","Steric augmentation of three-coordinate Cu(i) β-diketiminate isocyanide chromophores to achieve microsecond excited-state lifetime.","Chemical science","2026","17","15","7659","7666","10.1039/d5sc09786j","","","0.71073","MoKα","","0.0399","0.0335","","","0.0842","0.0892","","","","","","1.034","","","","has coordinates,has disorder","306334","2026-06-05","18:38:14",""
"1576649","11.455","0.002","11.955","0.002","21.253","0.004","79.082","0.002","89.214","0.002","67.827","0.002","2641.1","0.8","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C54 H66 Cu N3 -","- C54 H66 Cu N3 -","- C108 H132 Cu2 N6 -","2","1","","Kumar, Ashish; Kim, Dooyoung; Dunphy, Sean P.; Lewis, Erin N.; Figueroa, Joshua S.; Teets, Thomas S.","Steric augmentation of three-coordinate Cu(i) β-diketiminate isocyanide chromophores to achieve microsecond excited-state lifetime.","Chemical science","2026","17","15","7659","7666","10.1039/d5sc09786j","","","0.71073","MoKα","","0.0525","0.0404","","","0.1072","0.116","","","","","","1.064","","","","has coordinates,has disorder","306334","2026-06-05","18:38:14",""
"1576650","17.3057","0.0015","18.6955","0.0016","18.0781","0.0015","90","","91.517","0.001","90","","5846.9","0.9","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C66 H90 Cu N3 -","- C66 H90 Cu N3 -","- C264 H360 Cu4 N12 -","4","1","","Kumar, Ashish; Kim, Dooyoung; Dunphy, Sean P.; Lewis, Erin N.; Figueroa, Joshua S.; Teets, Thomas S.","Steric augmentation of three-coordinate Cu(i) β-diketiminate isocyanide chromophores to achieve microsecond excited-state lifetime.","Chemical science","2026","17","15","7659","7666","10.1039/d5sc09786j","","","0.71073","MoKα","","0.0618","0.0519","","","0.1447","0.1537","","","","","","1.034","","","","has coordinates,has disorder","306334","2026-06-05","18:38:14",""
"1576651","12.0288","0.0009","12.5853","0.0009","16.2705","0.0012","74.8","0.003","72.478","0.003","63.532","0.003","2078.9","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H54 Cu N3 -","- C48 H54 Cu N3 -","- C96 H108 Cu2 N6 -","2","1","","Kumar, Ashish; Kim, Dooyoung; Dunphy, Sean P.; Lewis, Erin N.; Figueroa, Joshua S.; Teets, Thomas S.","Steric augmentation of three-coordinate Cu(i) β-diketiminate isocyanide chromophores to achieve microsecond excited-state lifetime.","Chemical science","2026","17","15","7659","7666","10.1039/d5sc09786j","","","1.54178","CuKα","","0.0326","0.0317","","","0.0846","0.0854","","","","","","1.063","","","","has coordinates,has disorder","306334","2026-06-05","18:38:14",""
"1576652","11.9121","0.0007","23.6724","0.0013","16.9003","0.0009","90","","105.257","0.002","90","","4597.7","0.4","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C52 H62 Cu N3 -","- C52 H62 Cu N3 -","- C208 H248 Cu4 N12 -","4","2","","Kumar, Ashish; Kim, Dooyoung; Dunphy, Sean P.; Lewis, Erin N.; Figueroa, Joshua S.; Teets, Thomas S.","Steric augmentation of three-coordinate Cu(i) β-diketiminate isocyanide chromophores to achieve microsecond excited-state lifetime.","Chemical science","2026","17","15","7659","7666","10.1039/d5sc09786j","","","1.54178","CuKα","","0.027","0.0267","","","0.0662","0.0665","","","","","","1.066","","","","has coordinates","306334","2026-06-05","18:38:14",""
"1576653","20.8298","0.0008","11.4789","0.0004","29.6726","0.0014","90","","110.488","0.001","90","","6646","0.5","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C40 H38 Cu N3 -","- C40 H38 Cu N3 -","- C320 H304 Cu8 N24 -","8","4","","Kumar, Ashish; Kim, Dooyoung; Dunphy, Sean P.; Lewis, Erin N.; Figueroa, Joshua S.; Teets, Thomas S.","Steric augmentation of three-coordinate Cu(i) β-diketiminate isocyanide chromophores to achieve microsecond excited-state lifetime.","Chemical science","2026","17","15","7659","7666","10.1039/d5sc09786j","","","0.71073","MoKα","","0.0544","0.0367","","","0.0847","0.0921","","","","","","1.025","","","","has coordinates,has disorder","306334","2026-06-05","18:38:14",""
"1576654","4.8602","0.0001","14.2036","0.0002","25.7174","0.0004","90","","90","","90","","1775.33","0.05","106","1","106","1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 Au Cl N2 O3 S -","- C17 H18 Au Cl N2 O3 S -","- C68 H72 Au4 Cl4 N8 O12 S4 -","4","1","","Ochs, Jasmine; Metzler-Nolte, Nils","Identification of Au-hydrides as key intermediates in the reduction of Au(iii) prodrugs to active Au(i) species under protic conditions.","Chemical science","2026","17","8","4183","4190","10.1039/d5sc06212h","","x-ray","1.54184","CuKα","","0.0409","0.0391","","","0.104","0.1055","","","","","","1.0205","","","","has coordinates","304622","2026-02-26","00:39:05",""
"1576655","17.2761","0.0003","6.7454","0.0001","18.9344","0.0003","90","","115.37","0.002","90","","1993.71","0.06","100","0.3","100","0.3","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C32 H42 Au2 Cl4 N4 O6 S2 -","- C32 H42 Au2 Cl4 N4 O6 S2 -","- C64 H84 Au4 Cl8 N8 O12 S4 -","2","1","","Ochs, Jasmine; Metzler-Nolte, Nils","Identification of Au-hydrides as key intermediates in the reduction of Au(iii) prodrugs to active Au(i) species under protic conditions.","Chemical science","2026","17","8","4183","4190","10.1039/d5sc06212h","","x-ray","1.54184","CuKα","","0.0365","0.0352","","","0.0962","0.0969","","","","","","1.0391","","","","has coordinates,has disorder","304622","2026-02-26","00:39:06",""
"1576656","9.5245","0.0002","12.652","0.0003","12.721","0.0003","75.746","0.002","68.755","0.002","77.174","0.002","1369.73","0.06","100.01","0.1","100.01","0.1","","","","","","","","5","P 1","P 1","1","","","","- C52 H44 Eu2 N14 O18 -","- C52 H44 Eu2 N14 O18 -","- C52 H44 Eu2 N14 O18 -","1","1","","Li, Ru-Yan; Tang, Meng-Juan; Li, Yun-Lan; Yang, Fan; Zou, Hua-Hong; Wang, Hai-Ling; Zhu, Zhong-Hong","Improving the conjugation of organic ligands enhances the antenna effect and promotes the luminescence and optical imaging of chiral mononuclear Eu(iii) complexes.","Chemical science","2026","17","8","4157","4167","10.1039/d5sc09594h","","x-ray","0.71073","MoKα","","0.0348","0.0317","","","0.0945","0.0995","","","","","","0.7534","","","","has coordinates","304883","2026-03-05","12:26:22",""
"1576657","9.5275","0.0002","12.6485","0.0003","12.7241","0.0004","75.718","0.003","68.74","0.003","77.16","0.002","1369.8","0.07","100","0.18","100","0.18","","","","","","","","5","P 1","P 1","1","","","","- C52 H44 Eu2 N14 O18 -","- C52 H44 Eu2 N14 O18 -","- C52 H44 Eu2 N14 O18 -","1","1","","Li, Ru-Yan; Tang, Meng-Juan; Li, Yun-Lan; Yang, Fan; Zou, Hua-Hong; Wang, Hai-Ling; Zhu, Zhong-Hong","Improving the conjugation of organic ligands enhances the antenna effect and promotes the luminescence and optical imaging of chiral mononuclear Eu(iii) complexes.","Chemical science","2026","17","8","4157","4167","10.1039/d5sc09594h","","x-ray","1.54184","CuKα","","0.0713","0.0706","","","0.1782","0.1793","","","","","","1.0388","","","","has coordinates","304883","2026-03-05","12:26:22",""
"1576658","27.554","0.002","28.71","0.002","17.7286","0.0016","90","","90","","90","","14024.7","1.9","100","2","100","2","","","","","","","","5","P b a n :2","-P 2ab 2b","50","","","","- C35 H43 Mn N6 O5 -","- C35 H43 Mn N6 O5 -","- C560 H688 Mn16 N96 O80 -","16","2","","De, Puja; Adabala, Snehith; Samanta, Soumya; Mukhopadhyay, Kuntal; Ghosh, Soumya; Sen Gupta, Sayam","Unprecedented HAT rate acceleration in water by a non-heme manganese oxo complex.","Chemical science","2026","17","8","4042","4049","10.1039/d5sc06475a","","","0.71073","MoKα","","0.19","0.1098","","","0.2247","0.2633","","","","","","1.029","","","","has coordinates","304880","2026-03-05","12:24:58",""
"1576659","13.9931","0.0001","16.3697","0.0001","37.9318","0.0002","90","","90","","90","","8688.77","0.09","100.15","","100.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C3.55 H5.2 Cl0.08 Mn0.08 N0.58 O0.33 -","- C3.54639 H5.19588 Cl0.0824742 Mn0.0824742 N0.57732 O0.329897 -","- C344 H504 Cl8 Mn8 N56 O32 -","97","12.125","","De, Puja; Adabala, Snehith; Samanta, Soumya; Mukhopadhyay, Kuntal; Ghosh, Soumya; Sen Gupta, Sayam","Unprecedented HAT rate acceleration in water by a non-heme manganese oxo complex.","Chemical science","2026","17","8","4042","4049","10.1039/d5sc06475a","","","1.54184","CuKα","","0.0331","0.0293","","","0.0755","0.0773","","","","","","1.053","","","","has coordinates","304880","2026-03-05","12:24:58",""
"1576660","16.485","0.002","6.2347","0.0007","12.105","0.0018","90","","99.627","0.013","90","","1226.6","0.3","302.33","0.1","302.33","0.1","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C34 H30 -","- C34 H30 -","- C68 H60 -","2","0.5","","Shi, Xiaomei; Chen, Xinyu; Huang, Yu; Liu, Zuyuan; Zhao, Bo; Yan, Lingpeng; Zhang, Teng-Shuo; Fu, Hongbing; Wang, Long","Efficient singlet fission in rubicene null aggregates.","Chemical science","2026","17","8","4168","4173","10.1039/d5sc06978e","","x-ray","1.54184","CuKα","","0.1033","0.0798","","","0.2448","0.2706","","","","","","1.079","","","","has coordinates,has disorder","304882","2026-03-05","12:25:59",""
"1576661","15.0386","0.0005","14.8556","0.0006","18.6742","0.0006","90","","90","","90","","4172","0.3","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","5?-Me","","- C26 H23 N3 O2 -","- C26 H23 N3 O2 -","- C208 H184 N24 O16 -","8","1","","Nakata, Kanami; Matsuoka, Wataru; Ito, Hideto; Itami, Kenichiro","<i>L</i>-region-selective annulative π-extension through dearomative activation of polycyclic aromatic hydrocarbons.","Chemical science","2026","17","8","3998","4003","10.1039/d5sc09309k","","x-ray","0.71073","MoKα","","0.0569","0.0445","","","0.1072","0.1133","","","","","","1.016","","","","has coordinates","304626","2026-02-26","00:41:23",""
"1576662","14.901","0.0014","10.1314","0.0007","13.5202","0.0011","90","","104.524","0.009","90","","1975.9","0.3","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","compound 5","","- C25 H21 N3 O2 -","- C25 H21 N3 O2 -","- C100 H84 N12 O8 -","4","1","","Nakata, Kanami; Matsuoka, Wataru; Ito, Hideto; Itami, Kenichiro","<i>L</i>-region-selective annulative π-extension through dearomative activation of polycyclic aromatic hydrocarbons.","Chemical science","2026","17","8","3998","4003","10.1039/d5sc09309k","","x-ray","0.71073","MoKα","","0.1325","0.0729","","","0.1769","0.2126","","","","","","0.987","","","","has coordinates","304626","2026-02-26","00:41:23",""
"1576663","15.3604","0.001","9.5211","0.0007","15.3873","0.001","90","","107.325","0.007","90","","2148.3","0.3","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","compound 8","","- C25.04 H20.04 I N3 O2 -","- C25.0386 H20.0386 I N3 O2 -","- C100.154 H80.1544 I4 N12 O8 -","4","1","","Nakata, Kanami; Matsuoka, Wataru; Ito, Hideto; Itami, Kenichiro","<i>L</i>-region-selective annulative π-extension through dearomative activation of polycyclic aromatic hydrocarbons.","Chemical science","2026","17","8","3998","4003","10.1039/d5sc09309k","","x-ray","0.71073","MoKα","","0.0711","0.0566","","","0.127","0.1307","","","","","","1.176","","","","has coordinates,has disorder","304626","2026-02-26","00:41:24",""
"1576664","26.78","0.003","3.886","0.0004","19.6341","0.0018","90","","102.831","0.01","90","","1992.2","0.4","123","2","123","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","tribenzo[a,c,j]picene (compound 11)","","- C17 H10 -","- C17 H10 -","- C136 H80 -","8","1","","Nakata, Kanami; Matsuoka, Wataru; Ito, Hideto; Itami, Kenichiro","<i>L</i>-region-selective annulative π-extension through dearomative activation of polycyclic aromatic hydrocarbons.","Chemical science","2026","17","8","3998","4003","10.1039/d5sc09309k","","x-ray","0.71073","MoKα","","0.0712","0.0527","","","0.1322","0.1416","","","","","","1.056","","","","has coordinates","304626","2026-02-26","00:41:24",""
"1576665","13.5872","0.0007","14.1035","0.0005","25.9503","0.001","90","","90","","90","","4972.8","0.4","293","2","293.02","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C50 H42 O10 -","- C48 H34 O8 -","- C192 H136 O32 -","4","0.5","","Cai, Youlie; Li, Jing-Hong; Xiao, Xiaoyan; Wei, Runzhi; Lin, Rui-Biao; Chen, Banglin; Gao, Junkuo","Spatial pinning of globally inert pores in a superhydrophobic hydrogen-bonded organic framework for inverse ethane/ethylene separation.","Chemical science","2026","17","8","4256","4267","10.1039/d5sc08507a","","x-ray","1.54178","CuKα","K-L~3~","0.1424","0.1025","","","0.3132","0.3795","","","","","","1.036","","","","has coordinates,has disorder","304886","2026-03-05","12:27:28",""
"1576666","14.9347","0.0007","14.1589","0.0005","25.2455","0.0008","90","","90","","90","","5338.4","0.4","180","2","180.02","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C60 H58 O8 -","- C60 H58 O8 -","- C240 H232 O32 -","4","0.5","","Cai, Youlie; Li, Jing-Hong; Xiao, Xiaoyan; Wei, Runzhi; Lin, Rui-Biao; Chen, Banglin; Gao, Junkuo","Spatial pinning of globally inert pores in a superhydrophobic hydrogen-bonded organic framework for inverse ethane/ethylene separation.","Chemical science","2026","17","8","4256","4267","10.1039/d5sc08507a","","x-ray","1.54178","CuKα","K-L~3~","0.1897","0.1477","","","0.2725","0.2872","","","","","","0.992","","","","has coordinates,has disorder","304886","2026-03-05","12:27:28",""
"1576667","13.444","0.003","14.142","0.003","25.861","0.005","90","","90","","90","","4916.8","1.8","273","","273","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C98 H74 O16 -","- C97.6 H72.8 O16 -","- C195.2 H145.6 O32 -","2","0.25","","Cai, Youlie; Li, Jing-Hong; Xiao, Xiaoyan; Wei, Runzhi; Lin, Rui-Biao; Chen, Banglin; Gao, Junkuo","Spatial pinning of globally inert pores in a superhydrophobic hydrogen-bonded organic framework for inverse ethane/ethylene separation.","Chemical science","2026","17","8","4256","4267","10.1039/d5sc08507a","","","1.54178","CuKα","","0.1137","0.0735","","","0.214","0.2661","","","","","","0.991","","","","has coordinates,has disorder","304886","2026-03-05","12:27:28",""
"1576668","13.4088","0.0007","14.1154","0.0005","25.8758","0.0009","90","","90","","90","","4897.5","0.4","150","2","150.02","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C52 H46 O8 -","- C52 H46 O8 -","- C208 H184 O32 -","4","0.5","","Cai, Youlie; Li, Jing-Hong; Xiao, Xiaoyan; Wei, Runzhi; Lin, Rui-Biao; Chen, Banglin; Gao, Junkuo","Spatial pinning of globally inert pores in a superhydrophobic hydrogen-bonded organic framework for inverse ethane/ethylene separation.","Chemical science","2026","17","8","4256","4267","10.1039/d5sc08507a","","x-ray","1.54178","CuKα","K-L~3~","0.1547","0.0978","","","0.2836","0.3545","","","","","","1.092","","","","has coordinates,has disorder","304886","2026-03-05","12:27:28",""
"1576669","13.4893","0.0005","14.0799","0.0004","25.9348","0.0008","90","","90","","90","","4925.7","0.3","150","2","150.02","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C50 H34 O8 -","- C49.6 H34 O8 -","- C198.4 H136 O32 -","4","0.5","","Cai, Youlie; Li, Jing-Hong; Xiao, Xiaoyan; Wei, Runzhi; Lin, Rui-Biao; Chen, Banglin; Gao, Junkuo","Spatial pinning of globally inert pores in a superhydrophobic hydrogen-bonded organic framework for inverse ethane/ethylene separation.","Chemical science","2026","17","8","4256","4267","10.1039/d5sc08507a","","x-ray","1.54178","CuKα","K-L~3~","0.1673","0.079","","","0.2205","0.2918","","","","","","1.019","","","","has coordinates,has disorder","304886","2026-03-05","12:27:28",""
"1576670","13.4346","0.0013","14.1142","0.0009","25.8466","0.0017","90","","90","","90","","4901","0.7","273","","273","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C51 H34 O8 -","- C49.6 H34 O8 -","- C198.4 H136 O32 -","4","0.5","","Cai, Youlie; Li, Jing-Hong; Xiao, Xiaoyan; Wei, Runzhi; Lin, Rui-Biao; Chen, Banglin; Gao, Junkuo","Spatial pinning of globally inert pores in a superhydrophobic hydrogen-bonded organic framework for inverse ethane/ethylene separation.","Chemical science","2026","17","8","4256","4267","10.1039/d5sc08507a","","","1.54178","CuKα","","0.146","0.0961","","","0.2877","0.3477","","","","","","1.091","","","","has coordinates,has disorder","304886","2026-03-05","12:27:28",""
"1576671","18.355","0.0004","27.2455","0.0006","34.3754","0.0007","90","","99.767","0.002","90","","16941.7","0.6","100","0.1","100","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C98 H88 Cl I2 N52 O24 S2 -","- C98 H88 Cl I2 N52 O24 S2 -","- C392 H352 Cl4 I8 N208 O96 S8 -","4","1","","Nie, Haigen; Tan, Jiao; Luo, Yi; Ni, Xin-Long","A cucurbit[8]uril-triggered ionic photosensitizer in solution and solid states: selective control of <sup>1</sup>O<sub>2</sub> and O<sub>2</sub>˙<sup>-</sup> generation.","Chemical science","2026","17","8","4137","4144","10.1039/d5sc06904a","","x-ray","1.54184","CuKα","","0.1063","0.0754","","","0.2024","0.2261","","","","","","1.039","","","","has coordinates,has disorder","304628","2026-02-26","00:42:59",""
"1576672","18.2818","0.0008","27.2752","0.001","34.8195","0.001","90","","101.584","0.004","90","","17008.7","1.1","100.01","0.1","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C100 H92 Cl I2 N52 O26 S2 -","- C100 H92 Cl I2 N52 O26 S2 -","- C400 H368 Cl4 I8 N208 O104 S8 -","4","1","","Nie, Haigen; Tan, Jiao; Luo, Yi; Ni, Xin-Long","A cucurbit[8]uril-triggered ionic photosensitizer in solution and solid states: selective control of <sup>1</sup>O<sub>2</sub> and O<sub>2</sub>˙<sup>-</sup> generation.","Chemical science","2026","17","8","4137","4144","10.1039/d5sc06904a","","","1.54184","CuKα","","0.126","0.0776","","","0.2069","0.2505","","","","","","0.953","","","","has coordinates,has disorder","304628","2026-02-26","00:42:59",""
"1576673","12.50871","0.00007","29.33042","0.00012","20.62954","0.00009","90","","93.8228","0.0005","90","","7551.84","0.06","99.95","0.18","99.95","0.18","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C90 H115 Li O -","- C90 H115 Li O -","- C360 H460 Li4 O4 -","4","1","","Wenger, John S.; Gaschik, Nina; Rowe, William J.; Crumpton, Agamemnon E.; van IJzendoorn, Bono; Mehta, Meera","Isolation of arylhalodiphosphenes: periodic trends in R-P[double bond, length as m-dash]P-X bonding (X = Cl, Br, I).","Chemical science","2026","17","15","7475","7485","10.1039/d6sc00723f","","x-ray","1.54184","CuKα","","0.0671","0.0623","","","0.1567","0.1597","","","","","","1.073","","","","has coordinates,has disorder","305785","2026-05-05","08:58:14",""
"1576674","17.634","0.0001","17.634","0.0001","11.5188","0.0001","90","","90","","90","","3581.86","0.04","99.9","0.4","100.15","","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","","- C80 H109 I O2 P2 -","- C80 H109 I0.7016 O2 P2 -","- C160 H218 I1.4032 O4 P4 -","2","0.25","","Wenger, John S.; Gaschik, Nina; Rowe, William J.; Crumpton, Agamemnon E.; van IJzendoorn, Bono; Mehta, Meera","Isolation of arylhalodiphosphenes: periodic trends in R-P[double bond, length as m-dash]P-X bonding (X = Cl, Br, I).","Chemical science","2026","17","15","7475","7485","10.1039/d6sc00723f","","","1.54184","CuKα","","0.058","0.0568","","","0.1635","0.1647","","","","","","1.064","","","","has coordinates,has disorder","305785","2026-05-05","08:58:14",""
"1576675","15.8885","0.0002","27.6598","0.0003","18.0802","0.0002","90","","105.338","0.001","90","","7662.74","0.16","100","0.1","100","0.1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C73 H89 Ag Cl F3 O3 P2 S -","- C73 H89 Ag Cl F3 O3 P2 S -","- C292 H356 Ag4 Cl4 F12 O12 P8 S4 -","4","1","","Wenger, John S.; Gaschik, Nina; Rowe, William J.; Crumpton, Agamemnon E.; van IJzendoorn, Bono; Mehta, Meera","Isolation of arylhalodiphosphenes: periodic trends in R-P[double bond, length as m-dash]P-X bonding (X = Cl, Br, I).","Chemical science","2026","17","15","7475","7485","10.1039/d6sc00723f","","x-ray","1.54184","CuKα","","0.068","0.0541","","","0.1355","0.1425","","","","","","1.044","","","","has coordinates,has disorder","305785","2026-05-05","08:58:14",""
"1576676","17.68289","0.00007","17.68289","0.00007","11.48603","0.00009","90","","90","","90","","3591.5","0.03","100","0.1","100","0.1","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","","- C80 H110 Cl2 O2 P2 -","- C80 H110 Cl2 O2 P2 -","- C160 H220 Cl4 O4 P4 -","2","0.25","","Wenger, John S.; Gaschik, Nina; Rowe, William J.; Crumpton, Agamemnon E.; van IJzendoorn, Bono; Mehta, Meera","Isolation of arylhalodiphosphenes: periodic trends in R-P[double bond, length as m-dash]P-X bonding (X = Cl, Br, I).","Chemical science","2026","17","15","7475","7485","10.1039/d6sc00723f","","x-ray","1.54184","CuKα","","0.0509","0.048","","","0.1337","0.1368","","","","","","1.056","","","","has coordinates,has disorder","305785","2026-05-05","08:58:14",""
"1576677","17.6407","0.0001","17.6407","0.0001","11.4739","0.0001","90","","90","","90","","3570.61","0.04","100","0.1","100","0.1","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","","- C80 H109 Br O2 P2 -","- C80 H109 Br O2 P2 -","- C160 H218 Br2 O4 P4 -","2","0.25","","Wenger, John S.; Gaschik, Nina; Rowe, William J.; Crumpton, Agamemnon E.; van IJzendoorn, Bono; Mehta, Meera","Isolation of arylhalodiphosphenes: periodic trends in R-P[double bond, length as m-dash]P-X bonding (X = Cl, Br, I).","Chemical science","2026","17","15","7475","7485","10.1039/d6sc00723f","","x-ray","1.54184","CuKα","","0.0462","0.0453","","","0.1278","0.1286","","","","","","1.043","","","","has coordinates,has disorder","305785","2026-05-05","08:58:14",""
"1576678","12.40239","0.00007","26.3488","0.00017","20.88177","0.00013","90","","101.491","0.0005","90","","6687.14","0.07","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C78 H103 Cl2 P -","- C78 H103 Cl2 P -","- C312 H412 Cl8 P4 -","4","1","","Wenger, John S.; Gaschik, Nina; Rowe, William J.; Crumpton, Agamemnon E.; van IJzendoorn, Bono; Mehta, Meera","Isolation of arylhalodiphosphenes: periodic trends in R-P[double bond, length as m-dash]P-X bonding (X = Cl, Br, I).","Chemical science","2026","17","15","7475","7485","10.1039/d6sc00723f","","x-ray","1.54184","CuKα","","0.0658","0.0543","","","0.1504","0.1585","","","","","","1.033","","","","has coordinates,has disorder","305785","2026-05-05","08:58:14",""
"1576679","17.64558","0.0001","17.64558","0.0001","11.44934","0.00011","90","","90","","90","","3564.94","0.04","100","0.1","100.15","","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","","- C80 H109 Cl O2 P2 -","- C80 H109 Cl O2 P2 -","- C160 H218 Cl2 O4 P4 -","2","0.25","","Wenger, John S.; Gaschik, Nina; Rowe, William J.; Crumpton, Agamemnon E.; van IJzendoorn, Bono; Mehta, Meera","Isolation of arylhalodiphosphenes: periodic trends in R-P[double bond, length as m-dash]P-X bonding (X = Cl, Br, I).","Chemical science","2026","17","15","7475","7485","10.1039/d6sc00723f","","","1.54184","CuKα","","0.049","0.0462","","","0.1311","0.1344","","","","","","1.038","","","","has coordinates,has disorder","305785","2026-05-05","08:58:14",""
"1576680","22.66718","0.00011","25.26153","0.00015","25.92072","0.00016","90","","90","","90","","14842.4","0.15","150","0.1","150","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C89.5 H110 K P -","- C89.5 H110 K P -","- C716 H880 K8 P8 -","8","1","","Wenger, John S.; Gaschik, Nina; Rowe, William J.; Crumpton, Agamemnon E.; van IJzendoorn, Bono; Mehta, Meera","Isolation of arylhalodiphosphenes: periodic trends in R-P[double bond, length as m-dash]P-X bonding (X = Cl, Br, I).","Chemical science","2026","17","15","7475","7485","10.1039/d6sc00723f","","x-ray","1.54184","CuKα","","0.0704","0.0616","","","0.1804","0.1887","","","","","","1.07","","","","has coordinates,has disorder","305785","2026-05-05","08:58:14",""
"1576681","17.70963","0.00015","17.70963","0.00015","11.811","0.0002","90","","90","","90","","3704.3","0.08","149.97","0.13","149.97","0.13","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","","- C83 H119 O2 P Si -","- C83 H119 O2 P Si -","- C166 H238 O4 P2 Si2 -","2","0.25","","Wenger, John S.; Gaschik, Nina; Rowe, William J.; Crumpton, Agamemnon E.; van IJzendoorn, Bono; Mehta, Meera","Isolation of arylhalodiphosphenes: periodic trends in R-P[double bond, length as m-dash]P-X bonding (X = Cl, Br, I).","Chemical science","2026","17","15","7475","7485","10.1039/d6sc00723f","","x-ray","1.54184","CuKα","","0.038","0.0358","","","0.1027","0.1045","","","","","","1.075","","","","has coordinates,has disorder","305785","2026-05-05","08:58:14",""
"1576682","12.46887","0.00005","26.12266","0.0001","20.84307","0.00009","90","","102.064","0.0004","90","","6639.07","0.05","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C78 H105 P -","- C78 H105 P -","- C312 H420 P4 -","4","1","","Wenger, John S.; Gaschik, Nina; Rowe, William J.; Crumpton, Agamemnon E.; van IJzendoorn, Bono; Mehta, Meera","Isolation of arylhalodiphosphenes: periodic trends in R-P[double bond, length as m-dash]P-X bonding (X = Cl, Br, I).","Chemical science","2026","17","15","7475","7485","10.1039/d6sc00723f","","x-ray","1.54184","CuKα","","0.0448","0.0398","","","0.0956","0.0985","","","","","","1.022","","","","has coordinates,has disorder","305785","2026-05-05","08:58:14",""
"1576683","8.0151","0.0003","10.3158","0.0004","10.4456","0.0003","69.794","0.003","68.844","0.003","78.767","0.003","753.45","0.05","173","0.1","173","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C13 H22 Cl2 N2 Ru -","- C13 H22 Cl2 N2 Ru -","- C26 H44 Cl4 N4 Ru2 -","2","1","","Righetti, Gianluca; Koidan, Georgyi; Filimonchuk, Sergiy L.; Shishkina, Svitlana; Kostyuk, Aleksandr; Albrecht, Martin","Ligand flexibility as a concept to unlock catalytic activity: acyclic carbenes for base-free transfer ruthenium hydrogenation catalysis.","Chemical science","2026","17","8","4325","4331","10.1039/d5sc08206d","","x-ray","1.54184","CuKα","","0.0272","0.0269","","","0.0721","0.0724","","","","","","1.081","","","","has coordinates","304879","2026-03-05","12:24:32",""
"1576684","19.55034","0.00008","11.01135","0.00005","12.79041","0.00005","90","","99.3053","0.0004","90","","2717.23","0.02","173","0.1","173","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H17 Cl2 N Ru -","- C12 H17 Cl2 N Ru -","- C96 H136 Cl16 N8 Ru8 -","8","2","","Righetti, Gianluca; Koidan, Georgyi; Filimonchuk, Sergiy L.; Shishkina, Svitlana; Kostyuk, Aleksandr; Albrecht, Martin","Ligand flexibility as a concept to unlock catalytic activity: acyclic carbenes for base-free transfer ruthenium hydrogenation catalysis.","Chemical science","2026","17","8","4325","4331","10.1039/d5sc08206d","","x-ray","1.54184","CuKα","","0.0209","0.0208","","","0.0565","0.0566","","","","","","1.186","","","","has coordinates","304879","2026-03-05","12:24:36",""
"1576685","8.13073","0.00013","11.29004","0.00018","19.3239","0.0003","90","","101.849","0.0014","90","","1736.06","0.05","300.26","0.1","300.26","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H26 N2 O3 Ru -","- C17 H26 N2 O3 Ru -","- C68 H104 N8 O12 Ru4 -","4","1","","Righetti, Gianluca; Koidan, Georgyi; Filimonchuk, Sergiy L.; Shishkina, Svitlana; Kostyuk, Aleksandr; Albrecht, Martin","Ligand flexibility as a concept to unlock catalytic activity: acyclic carbenes for base-free transfer ruthenium hydrogenation catalysis.","Chemical science","2026","17","8","4325","4331","10.1039/d5sc08206d","","x-ray","0.71073","MoKα","","0.0395","0.0324","","","0.0922","0.0957","","","","","","1.058","","","","has coordinates,has disorder","304879","2026-03-05","12:24:38",""
"1576686","8.8497","0.0002","10.6779","0.0001","11.6417","0.0002","69.313","0.001","75.853","0.001","76.141","0.001","983.62","0.03","173","0.1","173","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C15 H24 Cl4 N2 Ru -","- C15 H24 Cl4 N2 Ru -","- C30 H48 Cl8 N4 Ru2 -","2","1","","Righetti, Gianluca; Koidan, Georgyi; Filimonchuk, Sergiy L.; Shishkina, Svitlana; Kostyuk, Aleksandr; Albrecht, Martin","Ligand flexibility as a concept to unlock catalytic activity: acyclic carbenes for base-free transfer ruthenium hydrogenation catalysis.","Chemical science","2026","17","8","4325","4331","10.1039/d5sc08206d","","","0.71073","MoKα","","0.034","0.0319","","","0.084","0.0856","","","","","","1.072","","","","has coordinates","304879","2026-03-05","12:24:39",""
"1576687","11.43884","0.00006","15.3631","0.00009","19.58592","0.0001","90","","90","","90","","3441.95","0.03","173","0.1","173","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H26 Cl2 N2 Ru -","- C16 H26 Cl2 N2 Ru -","- C128 H208 Cl16 N16 Ru8 -","8","1","","Righetti, Gianluca; Koidan, Georgyi; Filimonchuk, Sergiy L.; Shishkina, Svitlana; Kostyuk, Aleksandr; Albrecht, Martin","Ligand flexibility as a concept to unlock catalytic activity: acyclic carbenes for base-free transfer ruthenium hydrogenation catalysis.","Chemical science","2026","17","8","4325","4331","10.1039/d5sc08206d","","x-ray","1.54184","CuKα","","0.0189","0.0187","","","0.0461","0.0462","","","","","","1.101","","","","has coordinates","304879","2026-03-05","12:24:39",""
"1576688","10.69797","0.00014","9.17128","0.00011","22.3384","0.0003","90","","92.6898","0.0011","90","","2189.3","0.05","173","0.1","173","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H35 Cl2 N3 Ru -","- C20 H35 Cl2 N3 Ru -","- C80 H140 Cl8 N12 Ru4 -","4","1","","Righetti, Gianluca; Koidan, Georgyi; Filimonchuk, Sergiy L.; Shishkina, Svitlana; Kostyuk, Aleksandr; Albrecht, Martin","Ligand flexibility as a concept to unlock catalytic activity: acyclic carbenes for base-free transfer ruthenium hydrogenation catalysis.","Chemical science","2026","17","8","4325","4331","10.1039/d5sc08206d","","x-ray","0.71073","MoKα","","0.0202","0.0183","","","0.047","0.0477","","","","","","1.05","","","","has coordinates,has disorder","304879","2026-03-05","12:24:39",""
"1576689","12.14","0.002","15.05","0.003","38.53","0.008","90","","90","","90","","7040","2","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C37 H48 N P Si Sn -","- C37 H48 N P Si Sn -","- C296 H384 N8 P8 Si8 Sn8 -","8","1","","Gilch, Jonas M.; Keil, Philip M.; Iddrisu, Mustapha; Szilvási, Tibor; Hadlington, Terrance J.","Cooperative metathesis of H-H/Sn-C<sup>Ar</sup> bonds in stannylene-Ni<sup>0</sup> systems.","Chemical science","2026","17","16","7938","7946","10.1039/d5sc09496h","","","0.71073","MoKα","","0.0851","0.0665","","","0.1762","0.1945","","","","","","0.96","","","","has coordinates","305770","2026-05-05","08:53:45",""
"1576690","16.051","0.003","26.835","0.005","19.363","0.004","90","","97.22","0.03","90","","8274","3","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C77 H112 N4 Ni2 P2 Si2 Sn2 -","- C77 H112 N4 Ni2 P2 Si2 Sn2 -","- C308 H448 N16 Ni8 P8 Si8 Sn8 -","4","1","","Gilch, Jonas M.; Keil, Philip M.; Iddrisu, Mustapha; Szilvási, Tibor; Hadlington, Terrance J.","Cooperative metathesis of H-H/Sn-C<sup>Ar</sup> bonds in stannylene-Ni<sup>0</sup> systems.","Chemical science","2026","17","16","7938","7946","10.1039/d5sc09496h","","","0.71073","MoKα","","0.0825","0.0618","","","0.1551","0.1656","","","","","","1.084","","","","has coordinates,has disorder","305770","2026-05-05","08:53:45",""
"1576691","33.475","0.005","33.475","0.005","43.63","0.009","90","","90","","120","","42341","13","150","2","150","2","","","","","","","","8","R -3 c :H","-R 3 2""c","167","","","","- C78 H92 F12 N2 Ni P2 Si2 Sn2 -","- C78 H92 F12 N2 Ni P2 Si2 Sn2 -","- C1404 H1656 F216 N36 Ni18 P36 Si36 Sn36 -","18","0.5","","Gilch, Jonas M.; Keil, Philip M.; Iddrisu, Mustapha; Szilvási, Tibor; Hadlington, Terrance J.","Cooperative metathesis of H-H/Sn-C<sup>Ar</sup> bonds in stannylene-Ni<sup>0</sup> systems.","Chemical science","2026","17","16","7938","7946","10.1039/d5sc09496h","","","0.71073","MoKα","","0.0736","0.0458","","","0.1062","0.1206","","","","","","1.036","","","","has coordinates,has disorder","305770","2026-05-05","08:53:45",""
"1576692","10.302","0.002","11.25","0.002","16.905","0.003","79.85","0.03","80.12","0.03","74.86","0.03","1845.3","0.7","150","2","150","2","","","","","","","","6","P 1","P 1","1","","","","- C37 H60 N P Si Sn -","- C37 H60 N P Si Sn -","- C74 H120 N2 P2 Si2 Sn2 -","2","2","","Gilch, Jonas M.; Keil, Philip M.; Iddrisu, Mustapha; Szilvási, Tibor; Hadlington, Terrance J.","Cooperative metathesis of H-H/Sn-C<sup>Ar</sup> bonds in stannylene-Ni<sup>0</sup> systems.","Chemical science","2026","17","16","7938","7946","10.1039/d5sc09496h","","","0.71073","MoKα","","0.0448","0.0367","","","0.0734","0.0784","","","","","","1.009","","","","has coordinates,has disorder","305770","2026-05-05","08:53:45",""
"1576693","12.766","0.003","19.113","0.004","23.772","0.005","90","","93.27","0.03","90","","5791","2","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C58 H92 N3 Ni P Si Sn -","- C58 H92 N3 Ni P Si Sn -","- C232 H368 N12 Ni4 P4 Si4 Sn4 -","4","1","","Gilch, Jonas M.; Keil, Philip M.; Iddrisu, Mustapha; Szilvási, Tibor; Hadlington, Terrance J.","Cooperative metathesis of H-H/Sn-C<sup>Ar</sup> bonds in stannylene-Ni<sup>0</sup> systems.","Chemical science","2026","17","16","7938","7946","10.1039/d5sc09496h","","","0.71073","MoKα","","0.037","0.0295","","","0.0661","0.0704","","","","","","1.046","","","","has coordinates,has disorder","305770","2026-05-05","08:53:45",""
"1576694","13.802","0.003","15.016","0.003","19.31","0.004","90","","106.58","0.03","90","","3835.6","1.5","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C39 H46 F6 N P Si Sn -","- C39 H46 F6 N P Si Sn -","- C156 H184 F24 N4 P4 Si4 Sn4 -","4","1","","Gilch, Jonas M.; Keil, Philip M.; Iddrisu, Mustapha; Szilvási, Tibor; Hadlington, Terrance J.","Cooperative metathesis of H-H/Sn-C<sup>Ar</sup> bonds in stannylene-Ni<sup>0</sup> systems.","Chemical science","2026","17","16","7938","7946","10.1039/d5sc09496h","","","0.71073","MoKα","","0.0565","0.0488","","","0.1309","0.1363","","","","","","1.111","","","","has coordinates,has disorder","305770","2026-05-05","08:53:45",""
"1576695","12.84","0.003","13.88","0.003","21.998","0.004","84.37","0.03","81.89","0.03","77.88","0.03","3785.2","1.5","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C80 H112 N3 Ni P Si Sn -","- C80 H112 N3 Ni P Si Sn -","- C160 H224 N6 Ni2 P2 Si2 Sn2 -","2","1","","Gilch, Jonas M.; Keil, Philip M.; Iddrisu, Mustapha; Szilvási, Tibor; Hadlington, Terrance J.","Cooperative metathesis of H-H/Sn-C<sup>Ar</sup> bonds in stannylene-Ni<sup>0</sup> systems.","Chemical science","2026","17","16","7938","7946","10.1039/d5sc09496h","","","0.71073","MoKα","","0.1239","0.0658","","","0.1512","0.1802","","","","","","1.032","","","","has coordinates","305770","2026-05-05","08:53:45",""
"1576696","15.824","0.003","17.408","0.004","17.563","0.004","90","","111.74","0.03","90","","4493.9","1.9","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C45 H69 N O0.5 P Si Sn -","- C45 H69 N O0.5 P Si Sn -","- C180 H276 N4 O2 P4 Si4 Sn4 -","4","1","","Gilch, Jonas M.; Keil, Philip M.; Iddrisu, Mustapha; Szilvási, Tibor; Hadlington, Terrance J.","Cooperative metathesis of H-H/Sn-C<sup>Ar</sup> bonds in stannylene-Ni<sup>0</sup> systems.","Chemical science","2026","17","16","7938","7946","10.1039/d5sc09496h","","","0.71073","MoKα","","0.0769","0.0683","","","0.1717","0.1793","","","","","","1.065","","","","has coordinates","305770","2026-05-05","08:53:45",""
"1576697","45","0.009","13.69","0.003","21.36","0.004","90","","92.6","0.03","90","","13145","5","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C64 H84 N3 Ni P Si Sn -","- C64 H84 N3 Ni P Si Sn -","- C512 H672 N24 Ni8 P8 Si8 Sn8 -","8","1","","Gilch, Jonas M.; Keil, Philip M.; Iddrisu, Mustapha; Szilvási, Tibor; Hadlington, Terrance J.","Cooperative metathesis of H-H/Sn-C<sup>Ar</sup> bonds in stannylene-Ni<sup>0</sup> systems.","Chemical science","2026","17","16","7938","7946","10.1039/d5sc09496h","","","0.71073","MoKα","","0.1056","0.052","","","0.1149","0.135","","","","","","0.974","","","","has coordinates","305770","2026-05-05","08:53:45",""
"1576698","28.92","0.004","28.92","0.004","11.61","0.002","90","","90","","90","","9710","3","150","2","150","2","","","","","","","","7","P 4/n :2","-P 4a","85","","","","- C51 H64 N Ni P Si Sn -","- C51 H64 N Ni P Si Sn -","- C408 H512 N8 Ni8 P8 Si8 Sn8 -","8","1","","Gilch, Jonas M.; Keil, Philip M.; Iddrisu, Mustapha; Szilvási, Tibor; Hadlington, Terrance J.","Cooperative metathesis of H-H/Sn-C<sup>Ar</sup> bonds in stannylene-Ni<sup>0</sup> systems.","Chemical science","2026","17","16","7938","7946","10.1039/d5sc09496h","","","0.71073","MoKα","","0.0555","0.0342","","","0.08","0.0861","","","","","","1.028","","","","has coordinates","305770","2026-05-05","08:53:45",""
"1576699","7.346","0.0004","26.0025","0.0015","34.85","0.002","90","","90","","90","","6656.9","0.7","255","2","255","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C33 H30 I N5 O8 S -","- C33 H30 I N5 O8 S -","- C264 H240 I8 N40 O64 S8 -","8","2","","Zhong, Yangyang; Zeng, Jie; Li, Mingwei; Liang, Yuli; Guan, Shuman; Zhao, Kehan; Mu, Jiayi; Tang, Pei; Wang, Huijing; Chen, Fener","Stereodivergent access to α- and β-azanucleosides <i>via</i> catalyst-free, achiral modulator-controlled iodocyclization: a concise synthesis of forodesine.","Chemical science","2026","17","8","4126","4136","10.1039/d5sc08431h","","","0.71073","MoKα","","0.0923","0.0437","","","0.0703","0.0849","","","","","","1.031","","","","has coordinates","304884","2026-03-05","12:26:38",""
"1576700","9.7647","0.0002","10.092","0.0002","15.3151","0.0003","107.239","0.0018","98.9646","0.0018","105.768","0.002","1340.54","0.05","140","0.1","140","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C28 H33 Cl2 N O Ru Se -","- C28 H33 Cl2 N O Ru Se -","- C56 H66 Cl4 N2 O2 Ru2 Se2 -","2","1","","Romano-deGea, Jan; Sinenko, Irina L.; Pânzar, Peter M F; Neves Vieira, Adriana; Frederiksen, Lindsey E. K.; Glinkina, Kseniya; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Kuttler, Fabien; Lau, Kelvin; Dyson, Paul J.","Unconventional chalcogen-containing azolylidene metal complexes as potential anticancer therapeutics.","Chemical science","2026","17","8","4296","4306","10.1039/d5sc05555e","","x-ray","1.54184","CuKα","","0.03","0.0276","","","0.0744","0.0756","","","","","","1.063","","","","has coordinates,has disorder","304885","2026-03-05","12:27:06",""
"1576701","8.3972","0.0004","11.7055","0.0005","12.11","0.0006","93.48","0.004","98.668","0.004","104.169","0.004","1135.01","0.1","139.99","0.1","139.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C22 H21 I2 N3 Pt -","- C22 H21 I2 N3 Pt -","- C44 H42 I4 N6 Pt2 -","2","1","","Romano-deGea, Jan; Sinenko, Irina L.; Pânzar, Peter M F; Neves Vieira, Adriana; Frederiksen, Lindsey E. K.; Glinkina, Kseniya; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Kuttler, Fabien; Lau, Kelvin; Dyson, Paul J.","Unconventional chalcogen-containing azolylidene metal complexes as potential anticancer therapeutics.","Chemical science","2026","17","8","4296","4306","10.1039/d5sc05555e","","x-ray","0.71073","MoKα","","0.0661","0.0329","","","0.0582","0.0651","","","","","","0.986","","","","has coordinates","304885","2026-03-05","12:27:06",""
"1576702","9.2044","0.0002","9.2044","0.0002","29.2718","0.0006","90","","90","","120","","2147.69","0.08","140","0.1","140","0.1","","","","","","","","6","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C9 H10 I2 N2 Pt S -","- C9 H10 I2 N2 Pt S -","- C54 H60 I12 N12 Pt6 S6 -","6","0.5","","Romano-deGea, Jan; Sinenko, Irina L.; Pânzar, Peter M F; Neves Vieira, Adriana; Frederiksen, Lindsey E. K.; Glinkina, Kseniya; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Kuttler, Fabien; Lau, Kelvin; Dyson, Paul J.","Unconventional chalcogen-containing azolylidene metal complexes as potential anticancer therapeutics.","Chemical science","2026","17","8","4296","4306","10.1039/d5sc05555e","","x-ray","0.71073","MoKα","","0.037","0.0282","","","0.0474","0.0488","","","","","","1.141","","","","has coordinates,has disorder","304885","2026-03-05","12:27:06",""
"1576703","6.92293","0.00016","28.2837","0.0004","16.3408","0.0002","90","","90","","90","","3199.63","0.1","139.99","0.1","139.99","0.1","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C9 H9 Au I N O -","- C9 H9 Au I N O -","- C108 H108 Au12 I12 N12 O12 -","12","3","","Romano-deGea, Jan; Sinenko, Irina L.; Pânzar, Peter M F; Neves Vieira, Adriana; Frederiksen, Lindsey E. K.; Glinkina, Kseniya; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Kuttler, Fabien; Lau, Kelvin; Dyson, Paul J.","Unconventional chalcogen-containing azolylidene metal complexes as potential anticancer therapeutics.","Chemical science","2026","17","8","4296","4306","10.1039/d5sc05555e","","x-ray","1.54184","CuKα","","0.0864","0.073","","","0.1661","0.1725","","","","","","1.136","","","","has coordinates","304885","2026-03-05","12:27:06",""
"1576704","15.0757","0.0005","12.3164","0.0002","18.0889","0.0007","90","","114.216","0.005","90","","3063.2","0.2","139.99","0.1","139.99","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H34 Cl4 N2 Ru -","- C32 H34 Cl4 N2 Ru -","- C128 H136 Cl16 N8 Ru4 -","4","1","","Romano-deGea, Jan; Sinenko, Irina L.; Pânzar, Peter M F; Neves Vieira, Adriana; Frederiksen, Lindsey E. K.; Glinkina, Kseniya; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Kuttler, Fabien; Lau, Kelvin; Dyson, Paul J.","Unconventional chalcogen-containing azolylidene metal complexes as potential anticancer therapeutics.","Chemical science","2026","17","8","4296","4306","10.1039/d5sc05555e","","x-ray","1.54184","CuKα","","0.0951","0.0673","","","0.1694","0.1899","","","","","","1.042","","","","has coordinates","304885","2026-03-05","12:27:06",""
"1576705","16.4314","0.0004","9.4384","0.0002","13.8055","0.0003","90","","94.094","0.002","90","","2135.58","0.08","140","0.1","140","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C9 H9 Au Br N S -","- C9 H9 Au Br N S -","- C72 H72 Au8 Br8 N8 S8 -","8","1","","Romano-deGea, Jan; Sinenko, Irina L.; Pânzar, Peter M F; Neves Vieira, Adriana; Frederiksen, Lindsey E. K.; Glinkina, Kseniya; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Kuttler, Fabien; Lau, Kelvin; Dyson, Paul J.","Unconventional chalcogen-containing azolylidene metal complexes as potential anticancer therapeutics.","Chemical science","2026","17","8","4296","4306","10.1039/d5sc05555e","","x-ray","0.71073","MoKα","","0.0523","0.0297","","","0.0606","0.0656","","","","","","1.02","","","","has coordinates","304885","2026-03-05","12:27:06",""
"1576706","8.8706","0.0003","15.328","0.0007","19.83","0.001","90","","90.089","0.004","90","","2696.3","0.2","140","0.1","140","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 I2 N2 O Pt -","- C9 H10 I2 N2 O Pt -","- C72 H80 I16 N16 O8 Pt8 -","8","2","","Romano-deGea, Jan; Sinenko, Irina L.; Pânzar, Peter M F; Neves Vieira, Adriana; Frederiksen, Lindsey E. K.; Glinkina, Kseniya; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Kuttler, Fabien; Lau, Kelvin; Dyson, Paul J.","Unconventional chalcogen-containing azolylidene metal complexes as potential anticancer therapeutics.","Chemical science","2026","17","8","4296","4306","10.1039/d5sc05555e","","x-ray","1.54184","CuKα","","0.1336","0.0985","","","0.2619","0.2986","","","","","","1.041","","","","has coordinates","304885","2026-03-05","12:27:06",""
"1576707","10.6281","0.0003","16.7383","0.0005","7.17","0.0003","90","","93.494","0.003","90","","1273.15","0.07","103","4","103","4","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H14 Au I N2 -","- C11 H14 Au I N2 -","- C44 H56 Au4 I4 N8 -","4","0.5","","Romano-deGea, Jan; Sinenko, Irina L.; Pânzar, Peter M F; Neves Vieira, Adriana; Frederiksen, Lindsey E. K.; Glinkina, Kseniya; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Kuttler, Fabien; Lau, Kelvin; Dyson, Paul J.","Unconventional chalcogen-containing azolylidene metal complexes as potential anticancer therapeutics.","Chemical science","2026","17","8","4296","4306","10.1039/d5sc05555e","","x-ray","1.54184","CuKα","","0.0422","0.0398","","","0.1056","0.1072","","","","","","1.057","","","","has coordinates","304885","2026-03-05","12:27:06",""
"1576708","9.75755","0.00016","10.13025","0.00018","15.2002","0.0003","107.338","0.0016","98.0674","0.0015","106.18","0.0015","1335.9","0.05","139.99","0.1","139.99","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C28 H33 Cl2 N O Ru S -","- C28 H33 Cl2 N O Ru S -","- C56 H66 Cl4 N2 O2 Ru2 S2 -","2","1","","Romano-deGea, Jan; Sinenko, Irina L.; Pânzar, Peter M F; Neves Vieira, Adriana; Frederiksen, Lindsey E. K.; Glinkina, Kseniya; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Kuttler, Fabien; Lau, Kelvin; Dyson, Paul J.","Unconventional chalcogen-containing azolylidene metal complexes as potential anticancer therapeutics.","Chemical science","2026","17","8","4296","4306","10.1039/d5sc05555e","","x-ray","0.71073","MoKα","","0.0374","0.0346","","","0.0949","0.0964","","","","","","1.054","","","","has coordinates","304885","2026-03-05","12:27:06",""
"1576709","9.25931","0.00007","9.25931","0.00007","30.8237","0.0004","90","","90","","120","","2288.61","0.04","139.99","0.1","139.99","0.1","","","","","","","","5","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C10 H13 I2 N3 Pt -","- C10 H13 I2 N3 Pt -","- C60 H78 I12 N18 Pt6 -","6","0.5","","Romano-deGea, Jan; Sinenko, Irina L.; Pânzar, Peter M F; Neves Vieira, Adriana; Frederiksen, Lindsey E. K.; Glinkina, Kseniya; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Kuttler, Fabien; Lau, Kelvin; Dyson, Paul J.","Unconventional chalcogen-containing azolylidene metal complexes as potential anticancer therapeutics.","Chemical science","2026","17","8","4296","4306","10.1039/d5sc05555e","","x-ray","0.71073","MoKα","","0.0335","0.0269","","","0.0441","0.045","","","","","","1.101","","","","has coordinates","304885","2026-03-05","12:27:06",""
"1576710","10.5011","0.0004","36.2781","0.0014","13.3571","0.0004","90","","91.845","0.001","90","","5085.9","0.3","120","2","120","2","","","","","","","synthesized by the authors","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H67 Cl2 N3 Si2 -","- C54 H67 Cl2 N3 Si2 -","- C216 H268 Cl8 N12 Si8 -","4","1","","Lončarić, Doroteja; Kaletová, Eva; Varga, Katarina Majerová; Hurtado, Carina Santos; Mašát, Milan; Císařová, Ivana; Kaleta, Jiří","Cucurbit[7]uril as a universal anchor for photoswitchable monolayers on gold.","Chemical science","2026","17","8","3991","3997","10.1039/d5sc09469k","","","0.71073","MoKα","","0.0436","0.0388","","","0.1008","0.105","","","","","","1.029","","","","has coordinates","304635","2026-02-26","00:50:17",""
"1576711","12.2842","0.0004","16.8227","0.0005","34.6745","0.001","77.137","0.002","82.673","0.002","74.771","0.002","6722.3","0.4","120","2","120","2","","","","","","","synthesized by the authors","5","P -1","-P 1","2","","","","- C37 H35 Cl3 N4 O -","- C37 H35 Cl3 N4 O -","- C296 H280 Cl24 N32 O8 -","8","4","","Lončarić, Doroteja; Kaletová, Eva; Varga, Katarina Majerová; Hurtado, Carina Santos; Mašát, Milan; Císařová, Ivana; Kaleta, Jiří","Cucurbit[7]uril as a universal anchor for photoswitchable monolayers on gold.","Chemical science","2026","17","8","3991","3997","10.1039/d5sc09469k","","","1.54178","CuKα","","0.0807","0.0714","","","0.1947","0.2036","","","","","","1.034","","","","has coordinates,has disorder","304635","2026-02-26","00:50:18",""
"1576712","16.558","0.0014","22.4207","0.0017","13.3943","0.0012","90","","94.097","0.003","90","","4959.8","0.7","296.15","","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C103 H102 Br4 Cl6 N4 Ni2 -","- C103 H102 Br4 Cl6 N4 Ni2 -","- C206 H204 Br8 Cl12 N8 Ni4 -","2","0.5","","Liu, Fengbin; Gao, Qi; Zhao, Wenpeng; Wang, Xiaohua; Zhang, Xuequan; Liu, Heng","α-Diimine nickel-catalyzed propylene–diene copolymerization: towards a potential sulfur-crosslinked elastomeric alternative to EPDM","Polymer Chemistry","2026","17","13","1265","1277","10.1039/D6PY00021E","","","0.71073","MoKα","","0.1","0.0655","","","0.1782","0.2024","","","","","","1.046","","","","has coordinates","305449","2026-04-05","12:28:07",""
"1576713","9.4475","0.0002","21.2613","0.0004","13.536","0.0004","90","","98.015","0.002","90","","2692.36","0.11","89.9","0.2","89.9","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H20 Cl4 N O2 Sb -","- C29 H20 Cl4 N O2 Sb -","- C116 H80 Cl16 N4 O8 Sb4 -","4","1","","Song, Qingli; Liu, Yi; Wang, Yao; Wang, Wei","Pnictogen-bonding-crosslinked polymer networks: constructing self-healing materials.","Chemical science","2026","17","16","7958","7966","10.1039/d6sc00802j","","x-ray","0.71073","MoKα","","0.032","0.0252","","","0.0528","0.0557","","","","","","1.05","","","","has coordinates","306314","2026-06-05","18:34:46",""
"1576714","14.7217","0.001","13.5089","0.001","23.0981","0.0017","90","","90.911","0.002","90","","4593","0.6","297","2","295","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C2.88 H1.6 N0.32 S0.213 -","- C2.88 H1.6 N0.32 S0.213333 -","- C216 H120 N24 S16 -","75","18.75","","Barman, Debika; Parui, Retwik; Iyer, Parameswar Krishnan","Stepwise functionalization-induced molecular tweak unveiling multi-level thermochromic data encryption and fingerprint monitoring system.","Chemical science","2026","17","16","8218","8228","10.1039/d5sc08281a","","","0.71073","MoKα","","0.1415","0.1194","","","0.3805","0.3968","","","","","","3.0581","","","","has coordinates","305768","2026-05-05","08:53:28",""
"1576715","10.8065","0.0011","10.2267","0.001","19.839","0.002","90","","90.963","0.003","90","","2192.2","0.4","297","2","297","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H15 N3 S2 -","- C27 H15 N3 S2 -","- C108 H60 N12 S8 -","4","1","","Barman, Debika; Parui, Retwik; Iyer, Parameswar Krishnan","Stepwise functionalization-induced molecular tweak unveiling multi-level thermochromic data encryption and fingerprint monitoring system.","Chemical science","2026","17","16","8218","8228","10.1039/d5sc08281a","","","0.71073","MoKα","","0.0792","0.059","","","0.1495","0.1766","","","","","","1.1354","","","","has coordinates","305768","2026-05-05","08:53:28",""
"1576716","13.8301","0.00004","23.24282","0.00006","23.96377","0.00007","90","","101.808","0.0003","90","","7540.16","0.04","150.01","0.14","150.01","0.14","","","","","","","","4","P 1 21/n 1","-P 2yn","14","028bec23","[Cu3(dppm_prime)3]","","- C82 H71 Cu3 P6 -","- C82 H71 Cu3 P6 -","- C328 H284 Cu12 P24 -","4","1","","Cowie, Bradley E.; Phanopoulos, Andreas; Shaffer, Milo S. P.; Williams, Charlotte K.","Structural and reactivity investigations using organo-copper(i) and zinc(ii) complexes with hydrogen and carbon dioxide.","Chemical science","2026","17","1","564","578","10.1039/d5sc05666g","","x-ray","1.54184","CuKα","","0.0266","0.0249","","","0.0984","0.1011","","","","","","0.916","","","","has coordinates","304721","2026-03-04","02:48:27",""
"1576717","12.6129","0.0003","13.151","0.0004","14.4377","0.0004","82.473","0.002","66.962","0.002","64.233","0.002","1982.48","0.11","150.01","0.17","150.01","0.17","","","","","","","","7","P -1","-P 1","2","021bec22","[Cu2(dppm'')2{Zn(C6F5)2}2]","","- C88 H54 Cu2 F20 O4 P4 Zn2 -","- C88 H54 Cu2 F20 O4 P4 Zn2 -","- C88 H54 Cu2 F20 O4 P4 Zn2 -","1","0.5","","Cowie, Bradley E.; Phanopoulos, Andreas; Shaffer, Milo S. P.; Williams, Charlotte K.","Structural and reactivity investigations using organo-copper(i) and zinc(ii) complexes with hydrogen and carbon dioxide.","Chemical science","2026","17","1","564","578","10.1039/d5sc05666g","","x-ray","1.54184","CuKα","","0.0288","0.0275","","","0.1015","0.1046","","","","","","0.93","","","","has coordinates","304721","2026-03-04","02:48:27",""
"1576718","13.9446","0.0001","18.9372","0.0001","15.5207","0.0001","90","","99.426","0.001","90","","4043.24","0.05","150.01","0.1","150.01","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","026bec23","trans-[Cu2(dppm')2{Zn(C6F5)2}2]","","- C92 H60 Cu2 F20 P4 Zn2 -","- C92 H60 Cu2 F20 P4 Zn2 -","- C184 H120 Cu4 F40 P8 Zn4 -","2","0.5","","Cowie, Bradley E.; Phanopoulos, Andreas; Shaffer, Milo S. P.; Williams, Charlotte K.","Structural and reactivity investigations using organo-copper(i) and zinc(ii) complexes with hydrogen and carbon dioxide.","Chemical science","2026","17","1","564","578","10.1039/d5sc05666g","","x-ray","1.54184","CuKα","","0.026","0.0233","","","0.0923","0.0969","","","","","","0.875","","","","has coordinates,has disorder","304721","2026-03-04","02:48:27",""
"1576719","16.7872","0.0002","15.1283","0.0002","32.1498","0.0004","90","","90.653","0.001","90","","8164.29","0.18","150","0.1","150","0.1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","019bec22","cis-[Cu2(dppm')2{Zn(C6F5)2}2]","","- C86 H54 Cu2 F20 P4 Zn2 -","- C86 H54 Cu2 F20 P4 Zn2 -","- C344 H216 Cu8 F80 P16 Zn8 -","4","0.5","","Cowie, Bradley E.; Phanopoulos, Andreas; Shaffer, Milo S. P.; Williams, Charlotte K.","Structural and reactivity investigations using organo-copper(i) and zinc(ii) complexes with hydrogen and carbon dioxide.","Chemical science","2026","17","1","564","578","10.1039/d5sc05666g","","x-ray","1.54184","CuKα","","0.0294","0.026","","","0.0947","0.1007","","","","","","0.884","","","","has coordinates,has disorder","304721","2026-03-04","02:48:27",""
"1576720","10.8464","0.0002","41.8005","0.0006","17.7632","0.0002","90","","94.963","0.001","90","","8023.4","0.2","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","027bec23","[Cu3(k1-O2CH)(k2:u2-O2CH)(dppm)3]","","- C83 H74 Cu3 O4 P6 -","- C83 H74 Cu3 O4 P6 -","- C332 H296 Cu12 O16 P24 -","4","1","","Cowie, Bradley E.; Phanopoulos, Andreas; Shaffer, Milo S. P.; Williams, Charlotte K.","Structural and reactivity investigations using organo-copper(i) and zinc(ii) complexes with hydrogen and carbon dioxide.","Chemical science","2026","17","1","564","578","10.1039/d5sc05666g","","x-ray","1.54184","CuKα","","0.0562","0.048","","","0.1446","0.1517","","","","","","1.091","","","","has coordinates,has disorder","304721","2026-03-04","02:48:27",""
"1576721","15.8877","0.0002","14.8052","0.0002","44.2531","0.0006","90","","97.051","0.0014","90","","10330.5","0.2","150.01","0.13","150.01","0.13","","","","","","","","4","P 1 n 1","P -2yac","7","012bec21-bec","[Cu5(u-H)(u3-H)2(dppm')2(dppm)2]","","- C118 H107 Cu5 P8 -","- C118 H107 Cu5 P8 -","- C472 H428 Cu20 P32 -","4","2","","Cowie, Bradley E.; Phanopoulos, Andreas; Shaffer, Milo S. P.; Williams, Charlotte K.","Structural and reactivity investigations using organo-copper(i) and zinc(ii) complexes with hydrogen and carbon dioxide.","Chemical science","2026","17","1","564","578","10.1039/d5sc05666g","","x-ray","1.54184","CuKα","","0.0524","0.0434","","","0.09","0.0954","","","","","","1.006","","","","has coordinates,has disorder","304721","2026-03-04","02:48:27",""
"1576722","10.5049","0.0009","13.561","0.0011","13.6443","0.0011","87.086","0.005","87.639","0.006","81.043","0.006","1916.4","0.3","110","","110","","","","","","","","","6","P -1","-P 1","2","","","","- C34 H40 F18 N2 O2 W -","- C34 H40 F18 N2 O2 W -","- C68 H80 F36 N4 O4 W2 -","2","1","","Maji, Milan; Zeng, Landley; Schrock, Richard R.; Conley, Matthew P.; Carta, Veronica","Formation of tungsten ethylidene complexes from diethyl complexes through a proton-catalyzed rearrangement of ethylene.","Chemical science","2026","17","1","421","429","10.1039/d5sc07302b","","","1.54178","CuKα","","0.0791","0.0665","","","0.1687","0.1793","","","","","","1.094","","","","has coordinates","304722","2026-03-04","02:49:33",""
"1576723","20.517","0.002","11.7363","0.0013","11.8494","0.0011","90","","96.648","0.005","90","","2834.1","0.5","100","","100","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C23 H23 F18 N O2 W -","- C23 H23 F18 N O2 W -","- C92 H92 F72 N4 O8 W4 -","4","1","","Maji, Milan; Zeng, Landley; Schrock, Richard R.; Conley, Matthew P.; Carta, Veronica","Formation of tungsten ethylidene complexes from diethyl complexes through a proton-catalyzed rearrangement of ethylene.","Chemical science","2026","17","1","421","429","10.1039/d5sc07302b","","","1.54184","CuKα","","0.022","0.0215","","","0.051","0.0514","","","","","","1.033","","","","has coordinates,has disorder","304722","2026-03-04","02:49:34",""
"1576724","11.223","0.009","12.684","0.01","16.267","0.013","77.46","0.02","76.31","0.04","70.79","0.02","2100","3","298","","298","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H52 F9 N3 O W -","- C40 H52 F9 N3 O W -","- C80 H104 F18 N6 O2 W2 -","2","1","","Maji, Milan; Zeng, Landley; Schrock, Richard R.; Conley, Matthew P.; Carta, Veronica","Formation of tungsten ethylidene complexes from diethyl complexes through a proton-catalyzed rearrangement of ethylene.","Chemical science","2026","17","1","421","429","10.1039/d5sc07302b","","","0.71073","MoKα","","0.063","0.0506","","","0.1319","0.1462","","","","","","1.077","","","","has coordinates","304722","2026-03-04","02:49:34",""
"1576725","13.3829","0.0009","18.8032","0.0013","22.2737","0.0015","90","","106.681","0.0019","90","","5369.1","0.6","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H44 N2 W -","- C28 H44 N2 W -","- C224 H352 N16 W8 -","8","2","","Maji, Milan; Zeng, Landley; Schrock, Richard R.; Conley, Matthew P.; Carta, Veronica","Formation of tungsten ethylidene complexes from diethyl complexes through a proton-catalyzed rearrangement of ethylene.","Chemical science","2026","17","1","421","429","10.1039/d5sc07302b","","","1.54178","CuKα","","0.0217","0.0217","","","0.0529","0.0529","","","","","","1.285","","","","has coordinates","304722","2026-03-04","02:49:34",""
"1576726","10.284","0.0004","18.2199","0.0007","30.9881","0.0012","90","","90","","90","","5806.3","0.4","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H25 F18 N O2 W -","- C24 H25 F18 N O2 W -","- C192 H200 F144 N8 O16 W8 -","8","1","","Maji, Milan; Zeng, Landley; Schrock, Richard R.; Conley, Matthew P.; Carta, Veronica","Formation of tungsten ethylidene complexes from diethyl complexes through a proton-catalyzed rearrangement of ethylene.","Chemical science","2026","17","1","421","429","10.1039/d5sc07302b","","","1.54178","CuKα","","0.0335","0.0331","","","0.0795","0.0797","","","","","","1.051","","","","has coordinates,has disorder","304722","2026-03-04","02:49:34",""
"1576727","20.8163","0.0006","13.796","0.0004","39.1164","0.0011","90","","90","","90","","11233.5","0.6","100","","100","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C58 H73 F9 N5 O1.5 W2 -","- C58 H73 F9 N5 O1.5 W2 -","- C464 H584 F72 N40 O12 W16 -","8","2","","Maji, Milan; Zeng, Landley; Schrock, Richard R.; Conley, Matthew P.; Carta, Veronica","Formation of tungsten ethylidene complexes from diethyl complexes through a proton-catalyzed rearrangement of ethylene.","Chemical science","2026","17","1","421","429","10.1039/d5sc07302b","","","1.54178","CuKα","","0.0535","0.0493","","","0.1194","0.1219","","","","","","1.132","","","","has coordinates,has disorder","304722","2026-03-04","02:49:34",""
"1576728","9.314","0.002","24.125","0.006","11.578","0.003","90","","92.692","0.006","90","","2598.7","1.1","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H22 Cl N O -","- C34 H22 Cl N O -","- C136 H88 Cl4 N4 O4 -","4","1","","Kunhiraman, Anusree A.; Patra, Koushik; Kumar Choutipalli, Venkata Surya; Godara, Manjeet; Shuford, Kevin L.; Baidya, Mahiuddin","Unlocking radical reactivity of cyclic diaryl λ<sup>3</sup>-chloranes through NHC-catalyzed three-component coupling.","Chemical science","2026","17","8","4277","4284","10.1039/d5sc09326k","","","0.71073","MoKα","","0.1665","0.0756","","","0.1537","0.1824","","","","","","1.07","","","","has coordinates,has disorder","304723","2026-03-04","02:50:19",""
"1576729","9.8017","0.001","10.1659","0.0009","11.4676","0.0012","81.365","0.003","84.82","0.004","86.723","0.003","1124","0.19","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H20 Br Cl O -","- C28 H20 Br Cl O -","- C56 H40 Br2 Cl2 O2 -","2","1","","Kunhiraman, Anusree A.; Patra, Koushik; Kumar Choutipalli, Venkata Surya; Godara, Manjeet; Shuford, Kevin L.; Baidya, Mahiuddin","Unlocking radical reactivity of cyclic diaryl λ<sup>3</sup>-chloranes through NHC-catalyzed three-component coupling.","Chemical science","2026","17","8","4277","4284","10.1039/d5sc09326k","","","0.71073","MoKα","","0.0654","0.043","","","0.1071","0.1198","","","","","","1.097","","","","has coordinates,has disorder","304723","2026-03-04","02:50:19",""
"1576730","7.06","0.0002","11.8513","0.0004","26.174","0.0008","90","","90","","90","","2189.98","0.12","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H24 N O7 P -","- C22 H24 N O7 P -","- C88 H96 N4 O28 P4 -","4","1","","Clarkson, Aidan J.; Alley, Kimberly A.; Werley, Bryn K.; Robins, Jacob G.; Liu, Shubin; Johnson, Jeffrey S.","Catalytic asymmetric P<sup>(III)</sup>-additions to salicylaldehydes enable divergent stereoselective dearomatizations of phenols.","Chemical science","2026","17","5","2837","2846","10.1039/d5sc08571c","","","1.54178","CuKα","","0.065","0.054","","0.1479","0.1404","0.1479","","","","","","1.0011","","","","has coordinates","304724","2026-03-04","02:52:56",""
"1576731","9.0691","0.0005","26.0181","0.0012","11.561","0.0006","90","","111.924","0.003","90","","2530.7","0.2","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H29 Br N O9 P -","- C24 H29 Br N O9 P -","- C96 H116 Br4 N4 O36 P4 -","4","1","","Clarkson, Aidan J.; Alley, Kimberly A.; Werley, Bryn K.; Robins, Jacob G.; Liu, Shubin; Johnson, Jeffrey S.","Catalytic asymmetric P<sup>(III)</sup>-additions to salicylaldehydes enable divergent stereoselective dearomatizations of phenols.","Chemical science","2026","17","5","2837","2846","10.1039/d5sc08571c","","","1.54178","CuKα","","0.0518","0.0407","","0.1056","0.1002","0.1056","","","","","","0.9862","","","","has coordinates,has disorder","304724","2026-03-04","02:52:56",""
"1576732","10.8594","0.0005","8.1479","0.0004","21.4301","0.0008","90","","90.222","0.001","90","","1896.15","0.15","150","","150","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C38 H26 Br4 Cl2 Cu N2 O6 -","- C38 H26 Br4 Cl2 Cu N2 O6 -","- C76 H52 Br8 Cl4 Cu2 N4 O12 -","2","1","","Clarkson, Aidan J.; Alley, Kimberly A.; Werley, Bryn K.; Robins, Jacob G.; Liu, Shubin; Johnson, Jeffrey S.","Catalytic asymmetric P<sup>(III)</sup>-additions to salicylaldehydes enable divergent stereoselective dearomatizations of phenols.","Chemical science","2026","17","5","2837","2846","10.1039/d5sc08571c","","","0.71073","MoKα","","0.0621","0.0527","","0.1495","0.1415","0.1495","","","","","","0.997","","","","has coordinates,has disorder","304724","2026-03-04","02:52:56",""
"1576733","11.8702","0.0002","6.4382","0.0001","15.7216","0.0002","90","","100.479","0.001","90","","1181.45","0.03","100","0.8","100","0.8","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H25 F3 O2 S -","- C28 H25 F3 O2 S -","- C56 H50 F6 O4 S2 -","2","1","","Wei, Zheng-Wei; Cai, Qing-Yun; Yang, Li-Miao; Huo, Yu-Xuan; Li, Ze-Long; Gong, Xue-Qing; Chen, Zhi-Min","Chiral Lewis base/Lewis acid/Brønsted acid cooperative catalysis enabled regio- and enantioselective electrophilic sulfenylation/semipinacol rearrangement of allenols.","Chemical science","2026","17","5","2802","2810","10.1039/d5sc06981e","","x-ray","1.54184","CuKα","","0.034","0.0318","","","0.0811","0.0821","","","","","","1.051","","","","has coordinates","304725","2026-03-04","02:53:54",""
"1576734","8.6591","0.0003","12.8618","0.0003","15.7626","0.0004","90","","90","","90","","1755.51","0.09","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H15 F3 O2 S -","- C19 H15 F3 O2 S -","- C76 H60 F12 O8 S4 -","4","1","","Wei, Zheng-Wei; Cai, Qing-Yun; Yang, Li-Miao; Huo, Yu-Xuan; Li, Ze-Long; Gong, Xue-Qing; Chen, Zhi-Min","Chiral Lewis base/Lewis acid/Brønsted acid cooperative catalysis enabled regio- and enantioselective electrophilic sulfenylation/semipinacol rearrangement of allenols.","Chemical science","2026","17","5","2802","2810","10.1039/d5sc06981e","","x-ray","1.54184","CuKα","","0.0564","0.0392","","","0.0981","0.1099","","","","","","1.054","","","","has coordinates","304725","2026-03-04","02:53:54",""
"1576735","7.01707","0.00012","9.66742","0.00017","27.4191","0.0005","90","","90","","90","","1860.03","0.06","99.8","0.9","99.8","0.9","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H16 Br F3 O S -","- C20 H16 Br F3 O S -","- C80 H64 Br4 F12 O4 S4 -","4","1","","Wei, Zheng-Wei; Cai, Qing-Yun; Yang, Li-Miao; Huo, Yu-Xuan; Li, Ze-Long; Gong, Xue-Qing; Chen, Zhi-Min","Chiral Lewis base/Lewis acid/Brønsted acid cooperative catalysis enabled regio- and enantioselective electrophilic sulfenylation/semipinacol rearrangement of allenols.","Chemical science","2026","17","5","2802","2810","10.1039/d5sc06981e","","x-ray","1.54184","CuKα","","0.0249","0.0231","","","0.052","0.0532","","","","","","1.088","","","","has coordinates","304725","2026-03-04","02:53:54",""
"1576736","17.8548","0.0006","8.0071","0.0003","25.9391","0.001","90","","90","","90","","3708.4","0.2","298","2","298","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C20 H16 Br F3 N0 O S -","- C20 H16 Br F3 O S -","- C160 H128 Br8 F24 O8 S8 -","8","1","","Wei, Zheng-Wei; Cai, Qing-Yun; Yang, Li-Miao; Huo, Yu-Xuan; Li, Ze-Long; Gong, Xue-Qing; Chen, Zhi-Min","Chiral Lewis base/Lewis acid/Brønsted acid cooperative catalysis enabled regio- and enantioselective electrophilic sulfenylation/semipinacol rearrangement of allenols.","Chemical science","2026","17","5","2802","2810","10.1039/d5sc06981e","","x-ray","1.54178","CuKα","","0.0669","0.0586","","","0.1935","0.203","","","","","","1.049","","","","has coordinates","304725","2026-03-04","02:53:54",""
"1576737","6.3463","0.0001","16.7092","0.0004","36.0686","0.001","90","","90","","90","","3824.77","0.15","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C50 H43 N3 O2 -","- C50 H43 N3 O2 -","- C200 H172 N12 O8 -","4","1","","Wang, Dongmei; Chen, Xiao; Lin, Yuting; Wu, Lulu; Zhao, Zhichen; Xu, Xu; Yang, Shilong; Zhang, Jianyu; Wang, Wen-Jin; Zhao, Zheng; Wang, Shifa; Tang, Ben Zhong; Cai, Xu-Min","From nature-inspired electron acceptors to BioAIE materials with polarity- and polymorphism-dependence for anti-counterfeiting.","Chemical science","2026","17","5","2847","2857","10.1039/d5sc09027j","","x-ray","1.54184","CuKα","","0.0678","0.0496","","","0.1179","0.1294","","","","","","1.006","","","","has coordinates","304726","2026-03-04","02:54:50",""
"1576738","6.3435","0.0001","16.7303","0.0003","36.0895","0.0007","90","","90","","90","","3830.13","0.12","293.15","","293.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C50 H43 N3 O2 -","- C50 H43 N3 O2 -","- C200 H172 N12 O8 -","4","1","","Wang, Dongmei; Chen, Xiao; Lin, Yuting; Wu, Lulu; Zhao, Zhichen; Xu, Xu; Yang, Shilong; Zhang, Jianyu; Wang, Wen-Jin; Zhao, Zheng; Wang, Shifa; Tang, Ben Zhong; Cai, Xu-Min","From nature-inspired electron acceptors to BioAIE materials with polarity- and polymorphism-dependence for anti-counterfeiting.","Chemical science","2026","17","5","2847","2857","10.1039/d5sc09027j","","x-ray","1.54184","CuKα","","0.0563","0.045","","","0.1117","0.1201","","","","","","1.025","","","","has coordinates","304726","2026-03-04","02:54:50",""
"1576739","11.0022","0.0004","15.0039","0.0005","23.1511","0.0008","90","","93.337","0.002","90","","3815.2","0.2","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H48 Cu F6 N6 P -","- C39 H48 Cu F6 N6 P -","- C156 H192 Cu4 F24 N24 P4 -","4","1","","Back, Nick; Guthrie, Emylie; Zhu, Chengxu; de Visser, Sam P.; Tahsini, Laleh","Metal ligand cooperativity in the direct carboxylation and esterification of terminal alkynes by Cu-CNC complexes bearing 2,6-lutidine linkers.","Chemical science","2026","17","4","2087","2101","10.1039/d5sc08379f","","","0.71073","MoKα","","0.0376","0.03","","","0.0701","0.0753","","","","","","1.023","","","","has coordinates,has disorder","304727","2026-03-04","02:57:11",""
"1576740","8.3559","0.0004","11.2732","0.0006","19.0233","0.0008","90.952","0.002","94.577","0.002","95.28","0.002","1778.14","0.15","100","","100","","","","","","","","","4","P -1","-P 1","2","","[Cu(IMesC^N^C)(PA)]","","- C82 H82 Cu2 N12 -","- C82 H82 Cu2 N12 -","- C82 H82 Cu2 N12 -","1","0.5","","Back, Nick; Guthrie, Emylie; Zhu, Chengxu; de Visser, Sam P.; Tahsini, Laleh","Metal ligand cooperativity in the direct carboxylation and esterification of terminal alkynes by Cu-CNC complexes bearing 2,6-lutidine linkers.","Chemical science","2026","17","4","2087","2101","10.1039/d5sc08379f","","","0.71073","MoKα","","0.0609","0.0403","","","0.0895","0.0985","","","","","","1.024","","","","has coordinates,has disorder","304727","2026-03-04","02:57:11",""
"1576741","8.9525","0.0005","12.2544","0.0008","14.4861","0.0007","78.93","0.002","83.833","0.002","83.018","0.002","1542.32","0.15","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C31 H33 Cu F6 N5 P -","- C31 H33 Cu F6 N5 P -","- C62 H66 Cu2 F12 N10 P2 -","2","1","","Back, Nick; Guthrie, Emylie; Zhu, Chengxu; de Visser, Sam P.; Tahsini, Laleh","Metal ligand cooperativity in the direct carboxylation and esterification of terminal alkynes by Cu-CNC complexes bearing 2,6-lutidine linkers.","Chemical science","2026","17","4","2087","2101","10.1039/d5sc08379f","","","0.71073","MoKα","","0.0442","0.0345","","","0.0788","0.0845","","","","","","1.031","","","","has coordinates","304727","2026-03-04","02:57:11",""
"1576742","9.1454","0.0008","11.536","0.0011","14.1953","0.0015","69.605","0.003","74.381","0.003","80.865","0.003","1348.4","0.2","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C31 H32 Cu N5 -","- C31 H32 Cu N5 -","- C62 H64 Cu2 N10 -","2","1","","Back, Nick; Guthrie, Emylie; Zhu, Chengxu; de Visser, Sam P.; Tahsini, Laleh","Metal ligand cooperativity in the direct carboxylation and esterification of terminal alkynes by Cu-CNC complexes bearing 2,6-lutidine linkers.","Chemical science","2026","17","4","2087","2101","10.1039/d5sc08379f","","","0.71073","MoKα","","0.0931","0.0774","","","0.1825","0.1892","","","","","","1.313","","","","has coordinates,has disorder","304727","2026-03-04","02:57:11",""
"1576743","10.6182","0.0002","10.6182","0.0002","43.2847","0.0014","90","","90","","120","","4226.36","0.18","100","","100","","","","","","","","","4","P 31","P 31","144","","","","- C19 H24 Cu N5 -","- C19 H24 Cu N5 -","- C171 H216 Cu9 N45 -","9","3","","Back, Nick; Guthrie, Emylie; Zhu, Chengxu; de Visser, Sam P.; Tahsini, Laleh","Metal ligand cooperativity in the direct carboxylation and esterification of terminal alkynes by Cu-CNC complexes bearing 2,6-lutidine linkers.","Chemical science","2026","17","4","2087","2101","10.1039/d5sc08379f","","","0.71073","MoKα","","0.0619","0.0527","","","0.1082","0.114","","","","","","1.067","","","","has coordinates,has disorder","304727","2026-03-04","02:57:11",""
"1576744","6.6124","0.0002","6.0702","0.0002","14.6218","0.0005","90","","101.223","0.003","90","","575.68","0.03","272.7","0.3","272.7","0.3","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C16 H10 -","- C16 H10 -","- C32 H20 -","2","0.5","","Qi, Jun-Chao; Chen, Xiao-Gang; Wang, Zhen-Yu; Tang, Yuan-Yuan; Song, Xian-Jiang; Qin, Yan; Lv, Hui-Peng; Xiong, Ren-Gen; Liao, Wei-Qiang","Organic-inorganic perovskite ferroelectric catalytic selective alkyne coupling under ultrasound sonication.","Chemical science","2026","17","3","1792","1800","10.1039/d5sc07784b","","x-ray","1.54184","CuKα","","0.0441","0.0372","","","0.1038","0.11","","","","","","1.092","","","","has coordinates","304728","2026-03-04","03:03:34",""
"1576745","7.9679","0.0014","9.1231","0.0015","9.592","0.002","94.674","0.016","108.09","0.018","98.755","0.014","648.9","0.2","275","2","275","2","","","","","","","","2","P -1","-P 1","2","","","","- C18 H14 -","- C18 H14 -","- C36 H28 -","2","1","","Qi, Jun-Chao; Chen, Xiao-Gang; Wang, Zhen-Yu; Tang, Yuan-Yuan; Song, Xian-Jiang; Qin, Yan; Lv, Hui-Peng; Xiong, Ren-Gen; Liao, Wei-Qiang","Organic-inorganic perovskite ferroelectric catalytic selective alkyne coupling under ultrasound sonication.","Chemical science","2026","17","3","1792","1800","10.1039/d5sc07784b","","x-ray","1.54184","CuKα","","0.0878","0.0589","","","0.1936","0.2258","","","","","","1.027","","","","has coordinates","304728","2026-03-04","03:03:35",""
"1576746","18.027","0.002","6.0037","0.0007","7.4853","0.001","90","","100.955","0.012","90","","795.36","0.17","222.99","0.1","222.99","0.1","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C24 H14 -","- C24 H14 -","- C48 H28 -","2","0.5","","Qi, Jun-Chao; Chen, Xiao-Gang; Wang, Zhen-Yu; Tang, Yuan-Yuan; Song, Xian-Jiang; Qin, Yan; Lv, Hui-Peng; Xiong, Ren-Gen; Liao, Wei-Qiang","Organic-inorganic perovskite ferroelectric catalytic selective alkyne coupling under ultrasound sonication.","Chemical science","2026","17","3","1792","1800","10.1039/d5sc07784b","","x-ray","1.54184","CuKα","","0.1356","0.1194","","","0.3362","0.344","","","","","","1.052","","","","has coordinates","304728","2026-03-04","03:03:35",""
"1576747","5.7176","0.0003","8.1893","0.0005","16.8245","0.001","102.49","0.005","90.921","0.004","91.588","0.004","768.64","0.08","173","0.1","173","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C18 H8 F6 O2 -","- C18 H8 F6 O2 -","- C36 H16 F12 O4 -","2","1","","Qi, Jun-Chao; Chen, Xiao-Gang; Wang, Zhen-Yu; Tang, Yuan-Yuan; Song, Xian-Jiang; Qin, Yan; Lv, Hui-Peng; Xiong, Ren-Gen; Liao, Wei-Qiang","Organic-inorganic perovskite ferroelectric catalytic selective alkyne coupling under ultrasound sonication.","Chemical science","2026","17","3","1792","1800","10.1039/d5sc07784b","","x-ray","1.54184","CuKα","","0.0932","0.0608","","","0.158","0.1853","","","","","","1.013","","","","has coordinates","304728","2026-03-04","03:03:35",""
"1576748","28.1055","0.0009","6.0041","0.00018","8.0558","0.0002","90","","91.627","0.003","90","","1358.85","0.07","299.35","0.1","299.35","0.1","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C18 H14 -","- C18 H14 -","- C72 H56 -","4","0.5","","Qi, Jun-Chao; Chen, Xiao-Gang; Wang, Zhen-Yu; Tang, Yuan-Yuan; Song, Xian-Jiang; Qin, Yan; Lv, Hui-Peng; Xiong, Ren-Gen; Liao, Wei-Qiang","Organic-inorganic perovskite ferroelectric catalytic selective alkyne coupling under ultrasound sonication.","Chemical science","2026","17","3","1792","1800","10.1039/d5sc07784b","","x-ray","1.54184","CuKα","","0.0455","0.0394","","","0.1201","0.1255","","","","","","1.082","","","","has coordinates","304728","2026-03-04","03:03:35",""
"1576749","3.8729","0.0001","5.8479","0.0002","25.1558","0.0007","90","","91.054","0.003","90","","569.64","0.03","252.99","0.1","252.99","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H8 F2 -","- C16 H8 F2 -","- C32 H16 F4 -","2","0.5","","Qi, Jun-Chao; Chen, Xiao-Gang; Wang, Zhen-Yu; Tang, Yuan-Yuan; Song, Xian-Jiang; Qin, Yan; Lv, Hui-Peng; Xiong, Ren-Gen; Liao, Wei-Qiang","Organic-inorganic perovskite ferroelectric catalytic selective alkyne coupling under ultrasound sonication.","Chemical science","2026","17","3","1792","1800","10.1039/d5sc07784b","","x-ray","1.54184","CuKα","","0.0451","0.0411","","","0.1103","0.1137","","","","","","1.094","","","","has coordinates","304728","2026-03-04","03:03:35",""
"1576750","23.9619","0.0015","7.9649","0.0005","9.2096","0.0005","90","","90","","90","","1757.69","0.18","410","0.1","410","0.1","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C10 H20 Cl4 Cu F4 N2 -","- C10 H20 Cl4 Cu F4 N2 -","- C40 H80 Cl16 Cu4 F16 N8 -","4","0.25","","Qi, Jun-Chao; Chen, Xiao-Gang; Wang, Zhen-Yu; Tang, Yuan-Yuan; Song, Xian-Jiang; Qin, Yan; Lv, Hui-Peng; Xiong, Ren-Gen; Liao, Wei-Qiang","Organic-inorganic perovskite ferroelectric catalytic selective alkyne coupling under ultrasound sonication.","Chemical science","2026","17","3","1792","1800","10.1039/d5sc07784b","","x-ray","0.71073","MoKα","","0.1111","0.108","","","0.2562","0.2573","","","","","","1.007","","","","has coordinates,has disorder","304728","2026-03-04","03:03:35",""
"1576751","3.9499","0.0007","24.878","0.004","6.5419","0.0015","90","","92.301","0.017","90","","642.3","0.2","299.66","0.1","299.66","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H8 Cl2 -","- C16 H8 Cl2 -","- C32 H16 Cl4 -","2","0.5","","Qi, Jun-Chao; Chen, Xiao-Gang; Wang, Zhen-Yu; Tang, Yuan-Yuan; Song, Xian-Jiang; Qin, Yan; Lv, Hui-Peng; Xiong, Ren-Gen; Liao, Wei-Qiang","Organic-inorganic perovskite ferroelectric catalytic selective alkyne coupling under ultrasound sonication.","Chemical science","2026","17","3","1792","1800","10.1039/d5sc07784b","","x-ray","1.54184","CuKα","","0.0652","0.0474","","","0.142","0.1563","","","","","","1.168","","","","has coordinates","304728","2026-03-04","03:03:35",""
"1576752","7.7","0.0003","12.7133","0.001","12.8164","0.0005","67.196","0.005","86.035","0.003","78.018","0.005","1131.27","0.12","299.74","0.1","299.74","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C18 H8 F6 -","- C18 H8 F6 -","- C54 H24 F18 -","3","1.5","","Qi, Jun-Chao; Chen, Xiao-Gang; Wang, Zhen-Yu; Tang, Yuan-Yuan; Song, Xian-Jiang; Qin, Yan; Lv, Hui-Peng; Xiong, Ren-Gen; Liao, Wei-Qiang","Organic-inorganic perovskite ferroelectric catalytic selective alkyne coupling under ultrasound sonication.","Chemical science","2026","17","3","1792","1800","10.1039/d5sc07784b","","x-ray","1.54184","CuKα","","0.1003","0.0731","","","0.2235","0.2506","","","","","","1.089","","","","has coordinates,has disorder","304728","2026-03-04","03:03:35",""
"1576753","3.9352","0.0001","5.8927","0.0002","25.1923","0.0008","90","","91.318","0.003","90","","584.03","0.03","353","0.1","353","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H8 F2 -","- C16 H8 F2 -","- C32 H16 F4 -","2","0.5","","Qi, Jun-Chao; Chen, Xiao-Gang; Wang, Zhen-Yu; Tang, Yuan-Yuan; Song, Xian-Jiang; Qin, Yan; Lv, Hui-Peng; Xiong, Ren-Gen; Liao, Wei-Qiang","Organic-inorganic perovskite ferroelectric catalytic selective alkyne coupling under ultrasound sonication.","Chemical science","2026","17","3","1792","1800","10.1039/d5sc07784b","","x-ray","1.54184","CuKα","","0.0491","0.0441","","","0.1269","0.1317","","","","","","1.1062","","","","has coordinates","304728","2026-03-04","03:03:35",""
"1576754","15.4811","0.0003","17.3094","0.0004","7.75492","0.00017","90","","92.902","0.002","90","","2075.41","0.08","299.15","0.1","299.15","0.1","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 -","- C18 H14 -","- C108 H84 -","6","1.5","","Qi, Jun-Chao; Chen, Xiao-Gang; Wang, Zhen-Yu; Tang, Yuan-Yuan; Song, Xian-Jiang; Qin, Yan; Lv, Hui-Peng; Xiong, Ren-Gen; Liao, Wei-Qiang","Organic-inorganic perovskite ferroelectric catalytic selective alkyne coupling under ultrasound sonication.","Chemical science","2026","17","3","1792","1800","10.1039/d5sc07784b","","x-ray","1.54184","CuKα","","0.0621","0.0438","","","0.1308","0.1445","","","","","","1.041","","","","has coordinates","304728","2026-03-04","03:03:36",""
"1576755","4.4784","0.0019","5.3235","0.0015","16.34","0.003","86.417","0.018","86.14","0.02","88.66","0.03","387.8","0.2","193","0.1","193","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C18 H8 F6 O2 -","- C18 H8 F6 O2 -","- C18 H8 F6 O2 -","1","0.5","","Qi, Jun-Chao; Chen, Xiao-Gang; Wang, Zhen-Yu; Tang, Yuan-Yuan; Song, Xian-Jiang; Qin, Yan; Lv, Hui-Peng; Xiong, Ren-Gen; Liao, Wei-Qiang","Organic-inorganic perovskite ferroelectric catalytic selective alkyne coupling under ultrasound sonication.","Chemical science","2026","17","3","1792","1800","10.1039/d5sc07784b","","x-ray","1.54184","CuKα","","0.1467","0.0847","","","0.2095","0.2709","","","","","","1.03","","","","has coordinates,has disorder","304728","2026-03-04","03:03:36",""
"1576756","12.5044","0.0003","9.9663","0.0003","15.9532","0.0004","90","","93.953","0.002","90","","1983.4","0.09","270","2","270","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C24 H26 -","- C24 H26 -","- C96 H104 -","4","1","","Qi, Jun-Chao; Chen, Xiao-Gang; Wang, Zhen-Yu; Tang, Yuan-Yuan; Song, Xian-Jiang; Qin, Yan; Lv, Hui-Peng; Xiong, Ren-Gen; Liao, Wei-Qiang","Organic-inorganic perovskite ferroelectric catalytic selective alkyne coupling under ultrasound sonication.","Chemical science","2026","17","3","1792","1800","10.1039/d5sc07784b","","x-ray","1.54184","CuKα","","0.081","0.06","","","0.175","0.1983","","","","","","1.043","","","","has coordinates,has disorder","304728","2026-03-04","03:03:36",""
"1576757","6.9786","0.0002","15.6479","0.001","15.8333","0.0007","106.824","0.005","91.106","0.003","90.882","0.003","1654.29","0.14","299.95","0.1","299.95","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C18 H8 F6 O2 -","- C18 H8 F6 O2 -","- C72 H32 F24 O8 -","4","2","","Qi, Jun-Chao; Chen, Xiao-Gang; Wang, Zhen-Yu; Tang, Yuan-Yuan; Song, Xian-Jiang; Qin, Yan; Lv, Hui-Peng; Xiong, Ren-Gen; Liao, Wei-Qiang","Organic-inorganic perovskite ferroelectric catalytic selective alkyne coupling under ultrasound sonication.","Chemical science","2026","17","3","1792","1800","10.1039/d5sc07784b","","x-ray","1.54184","CuKα","","0.1711","0.1311","","","0.2949","0.3185","","","","","","1.067","","","","has coordinates","304728","2026-03-04","03:03:36",""
"1576758","18.0232","0.0014","6.0194","0.0004","7.5591","0.0006","90","","101.211","0.007","90","","804.43","0.11","300","0.1","300","0.1","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C24 H14 -","- C24 H14 -","- C48 H28 -","2","0.5","","Qi, Jun-Chao; Chen, Xiao-Gang; Wang, Zhen-Yu; Tang, Yuan-Yuan; Song, Xian-Jiang; Qin, Yan; Lv, Hui-Peng; Xiong, Ren-Gen; Liao, Wei-Qiang","Organic-inorganic perovskite ferroelectric catalytic selective alkyne coupling under ultrasound sonication.","Chemical science","2026","17","3","1792","1800","10.1039/d5sc07784b","","x-ray","1.54184","CuKα","","0.0984","0.0889","","","0.2602","0.2671","","","","","","1.013","","","","has coordinates","304728","2026-03-04","03:03:36",""
"1576759","23.8905","0.0004","7.8128","0.0002","9.2079","0.0002","90","","90","","90","","1718.67","0.06","300","4","300","4","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C10 H20 Cl4 Cu F4 N2 -","- C10 H20 Cl4 Cu F4 N2 -","- C40 H80 Cl16 Cu4 F16 N8 -","4","0.5","","Qi, Jun-Chao; Chen, Xiao-Gang; Wang, Zhen-Yu; Tang, Yuan-Yuan; Song, Xian-Jiang; Qin, Yan; Lv, Hui-Peng; Xiong, Ren-Gen; Liao, Wei-Qiang","Organic-inorganic perovskite ferroelectric catalytic selective alkyne coupling under ultrasound sonication.","Chemical science","2026","17","3","1792","1800","10.1039/d5sc07784b","","x-ray","0.71073","MoKα","","0.0163","0.0159","","","0.0412","0.0415","","","","","","1.09","","","","has coordinates","304728","2026-03-04","03:03:36",""
"1576760","22.736","0.0002","19.2691","0.0002","21.2711","0.0002","90","","94.326","0.001","90","","9292.37","0.15","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C64 H82 Ag12 F18 N8 O12 S8 -","- C64 H82 Ag12 F18 N8 O12 S8 -","- C256 H328 Ag48 F72 N32 O48 S32 -","4","0.5","","Liu, Xiaolin; Ki, Taeyoung; Yoo, Seungwoo; Deng, Guocheng; Bootharaju, Megalamane S.; Hyeon, Taeghwan","From chain to framework: atomically precise silver cluster-assembled architectures.","Nanoscale","2026","18","8","4111","4116","10.1039/d5nr04708k","","x-ray","1.54184","CuKα","","0.1052","0.1019","","","0.2631","0.2678","","","","","","1.119","","","","has coordinates","304780","2026-03-04","18:49:35",""
"1576761","28.7264","0.0003","28.7264","0.0003","22.2243","0.0003","90","","90","","120","","15882.6","0.3","100","2","100","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C75 H96 Ag12 F18 N6 O12 S6 -","- C75 H96 Ag12 F18 N6 O12 S6 -","- C450 H576 Ag72 F108 N36 O72 S36 -","6","0.166667","","Liu, Xiaolin; Ki, Taeyoung; Yoo, Seungwoo; Deng, Guocheng; Bootharaju, Megalamane S.; Hyeon, Taeghwan","From chain to framework: atomically precise silver cluster-assembled architectures.","Nanoscale","2026","18","8","4111","4116","10.1039/d5nr04708k","","x-ray","1.54184","CuKα","","0.0757","0.0753","","","0.2046","0.205","","","","","","1.121","","","","has coordinates,has disorder","304780","2026-03-04","18:49:35",""
"1576762","16.9722","0.0002","16.9722","0.0002","11.2473","0.0002","90","","90","","120","","2805.79","0.07","100","2","100","2","","","","","","","","7","P -3","-P 3","147","","","","- C66 H78 Ag12 F18 N6 O12 S6 -","- C66 H78 Ag12 F18 N6 O12 S6 -","- C66 H78 Ag12 F18 N6 O12 S6 -","1","0.166667","","Liu, Xiaolin; Ki, Taeyoung; Yoo, Seungwoo; Deng, Guocheng; Bootharaju, Megalamane S.; Hyeon, Taeghwan","From chain to framework: atomically precise silver cluster-assembled architectures.","Nanoscale","2026","18","8","4111","4116","10.1039/d5nr04708k","","x-ray","1.54184","CuKα","","0.0478","0.0472","","","0.1247","0.1256","","","","","","1.045","","","","has coordinates,has disorder","304780","2026-03-04","18:49:35",""
"1576763","19.0776","0.0008","19.1978","0.0008","20.2037","0.0008","65.531","0.003","62.761","0.003","66.706","0.003","5791.1","0.5","230","","230","","","","","","","","","8","P -1","-P 1","2","","","","- C228 H246 Au Cu14 F6 P6 S12 Sb -","- C228 H246 Au Cu14 F6 P6 S12 Sb -","- C228 H246 Au Cu14 F6 P6 S12 Sb -","1","0.5","","Zhu, Lin; Gao, Pu; Du, Jing; Shen, Yan; Feng, Yan; Wu, Mingzai; Ding, Yanjun; Zhu, Manzhou","Modulating the carbon tails of ligands on AuCu<sub>14</sub> nanoclusters enables the transition from single to dual emission.","Nanoscale","2026","18","5","2491","2495","10.1039/d5nr05074j","","x-ray","1.54186","CuKα","","0.0896","0.0821","","","0.2301","0.2462","","","","","","1.048","","","","has coordinates,has disorder","304781","2026-03-04","18:50:07",""
"1576764","16.5353","0.0002","16.7733","0.0002","19.1444","0.0003","110.931","0.001","109.629","0.001","98.024","0.001","4463.15","0.12","120","0.1","120","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C192 H174 Au0.6 Cu14 F5.4 P6 S12 Sb0.9 -","- C192 H174 Au0.6 Cu14 F5.4 P6 S12 Sb0.9 -","- C192 H174 Au0.6 Cu14 F5.4 P6 S12 Sb0.9 -","1","0.5","","Zhu, Lin; Gao, Pu; Du, Jing; Shen, Yan; Feng, Yan; Wu, Mingzai; Ding, Yanjun; Zhu, Manzhou","Modulating the carbon tails of ligands on AuCu<sub>14</sub> nanoclusters enables the transition from single to dual emission.","Nanoscale","2026","18","5","2491","2495","10.1039/d5nr05074j","","x-ray","1.54184","CuKα","","0.0786","0.0748","","","0.1997","0.2015","","","","","","1.077","","","","has coordinates","304781","2026-03-04","18:50:08",""
"1576765","19.4553","0.0002","27.607","0.0005","21.0119","0.0003","90","","95.805","0.001","90","","11227.7","0.3","120","0.1","120.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C216 Au Cu14 P6 S12 -","- C216 Au Cu14 P6 S12 -","- C432 Au2 Cu28 P12 S24 -","2","0.5","","Zhu, Lin; Gao, Pu; Du, Jing; Shen, Yan; Feng, Yan; Wu, Mingzai; Ding, Yanjun; Zhu, Manzhou","Modulating the carbon tails of ligands on AuCu<sub>14</sub> nanoclusters enables the transition from single to dual emission.","Nanoscale","2026","18","5","2491","2495","10.1039/d5nr05074j","","","1.54184","CuKα","","0.0992","0.0952","","","0.2644","0.269","","","","","","1.025","","","","has coordinates,has disorder","304781","2026-03-04","18:50:08",""
"1576766","10.8524","0.0006","11.6698","0.0006","11.0084","0.0006","90","","107.253","0.002","90","","1331.43","0.12","10","","10","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H20 Cl Cu N2 -","- C11 H20 Cl Cu N2 -","- C44 H80 Cl4 Cu4 N8 -","4","0.5","","Yan, Connly; Chang, Tieyan; Chen, Yu-Sheng; Paterson, Alexander L.; McElheny, Dan; Mankad, Neal P.","Hidden in plain sight: commonly used copper N-heterocyclic carbene catalysts gain stabilization from anagostic Cu⋯H-C interactions.","Chemical science","2026","17","9","4734","4743","10.1039/d5sc09643j","","","0.39995","synchrotron","","0.0352","0.0289","","","0.0746","0.0808","","","","","","0.9694","","","","has coordinates","304810","2026-03-05","00:50:10",""
"1576767","9.8677","0.0007","10.1558","0.0007","10.8302","0.0007","112.405","0.006","101.117","0.006","92.787","0.006","975.62","0.13","293","","293","","","","","","","","","3","P -1","-P 1","2","","","","- C24 H24 O3 -","- C24 H24 O3 -","- C48 H48 O6 -","2","1","","Liu, Shuili; Liu, Xingji; Gu, Xiu; Dong, Shicheng; Huang, Nan; Shi, Lei; Jiang, Jun","Pyrene-based conjugated porous polymers as photocatalysts for oxidative cycloaddition of phenols.","Chemical science","2026","17","9","4669","4677","10.1039/d5sc08900j","","","1.54178","CuKα","","0.0739","0.0654","","","0.1675","0.1797","","","","","","1.053","","","","has coordinates","304811","2026-03-05","00:50:32",""
"1576768","10.759","0.0002","15.6784","0.0003","20.0594","0.0004","90","","90","","90","","3383.7","0.11","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C21 H16 S2 -","- C21 H16 S2 -","- C168 H128 S16 -","8","1","","He, Zhanhui; Yang, Li; Zhou, Menghang; Zhong, Yue; Liu, Zheng; Zhang, Ziao; Xia, Feiyang; Deng, Xuezhe; Yan, Shuang; Xu, Cheng; Zhang, Cheng; Yin, Guodong","Rh(iii)-catalyzed heteroannular-selective heteroarylation of biaryls: facile access to heteroacenes with sulfur-embedded 5-7 ring topology.","Chemical science","2026","17","9","4594","4600","10.1039/d5sc08209a","","x-ray","1.54184","CuKα","","0.0626","0.057","","","0.1651","0.1711","","","","","","1.1","","","","has coordinates","304812","2026-03-05","00:51:28",""
"1576769","7.8957","0.0004","16.3997","0.0007","24.1206","0.001","90","","90","","90","","3123.3","0.2","273.15","","273.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H12 O2 S2 -","- C20 H12 O2 S2 -","- C160 H96 O16 S16 -","8","1","","He, Zhanhui; Yang, Li; Zhou, Menghang; Zhong, Yue; Liu, Zheng; Zhang, Ziao; Xia, Feiyang; Deng, Xuezhe; Yan, Shuang; Xu, Cheng; Zhang, Cheng; Yin, Guodong","Rh(iii)-catalyzed heteroannular-selective heteroarylation of biaryls: facile access to heteroacenes with sulfur-embedded 5-7 ring topology.","Chemical science","2026","17","9","4594","4600","10.1039/d5sc08209a","","","1.54178","CuKα","","0.0567","0.0503","","","0.1414","0.1449","","","","","","1.081","","","","has coordinates","304812","2026-03-05","00:51:28",""
"1576770","5.2323","0.0002","8.9668","0.0004","29.1269","0.001","90","","90","","90","","1366.55","0.09","293","2","293","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H12 S -","- C20 H12 S -","- C80 H48 S4 -","4","1","","He, Zhanhui; Yang, Li; Zhou, Menghang; Zhong, Yue; Liu, Zheng; Zhang, Ziao; Xia, Feiyang; Deng, Xuezhe; Yan, Shuang; Xu, Cheng; Zhang, Cheng; Yin, Guodong","Rh(iii)-catalyzed heteroannular-selective heteroarylation of biaryls: facile access to heteroacenes with sulfur-embedded 5-7 ring topology.","Chemical science","2026","17","9","4594","4600","10.1039/d5sc08209a","","x-ray","1.54184","CuKα","","0.052","0.0487","","","0.13","0.1341","","","","","","1.033","","","","has coordinates","304812","2026-03-05","00:51:28",""
"1576771","7.9692","0.0003","9.1737","0.0003","11.3045","0.0004","97.109","0.002","101.458","0.002","95.919","0.002","796.78","0.05","297","","297","","","","","","","","","3","P -1","-P 1","2","","","","- C44 H24 S4 -","- C44 H24 S4 -","- C44 H24 S4 -","1","0.5","","He, Zhanhui; Yang, Li; Zhou, Menghang; Zhong, Yue; Liu, Zheng; Zhang, Ziao; Xia, Feiyang; Deng, Xuezhe; Yan, Shuang; Xu, Cheng; Zhang, Cheng; Yin, Guodong","Rh(iii)-catalyzed heteroannular-selective heteroarylation of biaryls: facile access to heteroacenes with sulfur-embedded 5-7 ring topology.","Chemical science","2026","17","9","4594","4600","10.1039/d5sc08209a","","","1.54184","CuKα","","0.0621","0.0505","","","0.1403","0.1465","","","","","","1.033","","","","has coordinates","304812","2026-03-05","00:51:28",""
"1576772","4.7483","0.0002","15.0591","0.0005","20.181","0.0007","90","","90","","90","","1443.04","0.09","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H12 S -","- C22 H12 S -","- C88 H48 S4 -","4","1","","He, Zhanhui; Yang, Li; Zhou, Menghang; Zhong, Yue; Liu, Zheng; Zhang, Ziao; Xia, Feiyang; Deng, Xuezhe; Yan, Shuang; Xu, Cheng; Zhang, Cheng; Yin, Guodong","Rh(iii)-catalyzed heteroannular-selective heteroarylation of biaryls: facile access to heteroacenes with sulfur-embedded 5-7 ring topology.","Chemical science","2026","17","9","4594","4600","10.1039/d5sc08209a","","","1.54178","CuKα","","0.0525","0.0441","","","0.1128","0.1173","","","","","","1.019","","","","has coordinates","304812","2026-03-05","00:51:28",""
"1576773","9.7309","0.0003","11.2753","0.0006","14.8333","0.0003","106.545","0.004","90.845","0.002","103.498","0.004","1511.25","0.11","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H12 S2 -","- C20 H12 S2 -","- C80 H48 S8 -","4","2","","He, Zhanhui; Yang, Li; Zhou, Menghang; Zhong, Yue; Liu, Zheng; Zhang, Ziao; Xia, Feiyang; Deng, Xuezhe; Yan, Shuang; Xu, Cheng; Zhang, Cheng; Yin, Guodong","Rh(iii)-catalyzed heteroannular-selective heteroarylation of biaryls: facile access to heteroacenes with sulfur-embedded 5-7 ring topology.","Chemical science","2026","17","9","4594","4600","10.1039/d5sc08209a","","x-ray","1.54184","CuKα","","0.1036","0.0993","","","0.2737","0.2849","","","","","","1.27","","","","has coordinates","304812","2026-03-05","00:51:28",""
"1576774","8.0232","0.0001","16.8258","0.0003","25.0537","0.0004","90","","90","","90","","3382.17","0.09","293","2","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H12 O4 S2 -","- C20 H12 O4 S2 -","- C160 H96 O32 S16 -","8","1","","He, Zhanhui; Yang, Li; Zhou, Menghang; Zhong, Yue; Liu, Zheng; Zhang, Ziao; Xia, Feiyang; Deng, Xuezhe; Yan, Shuang; Xu, Cheng; Zhang, Cheng; Yin, Guodong","Rh(iii)-catalyzed heteroannular-selective heteroarylation of biaryls: facile access to heteroacenes with sulfur-embedded 5-7 ring topology.","Chemical science","2026","17","9","4594","4600","10.1039/d5sc08209a","","x-ray","1.54184","CuKα","","0.0703","0.0655","","","0.1826","0.1864","","","","","","1.101","","","","has coordinates","304812","2026-03-05","00:51:28",""
"1576775","11.6469","0.0004","20.7272","0.0006","13.9592","0.0004","90","","111.001","0.003","90","","3146.01","0.18","298.6","0.6","298.6","0.6","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C70 H66 Cl3 O6 P -","- C70 H66 Cl3 O6 P -","- C140 H132 Cl6 O12 P2 -","2","1","","You, Yiming; Cheng, Hongwei; Huang, Xiao; Wang, Peng; Cong, Hengjiang; Cheng, Hong-Gang; Zhou, Qianghui","Enantioselective synthesis of calix[4]arenes with C-C axial and inherent chirality <i>via</i> palladium/chiral norbornene cooperative catalysis.","Chemical science","2026","17","18","8968","8975","10.1039/d5sc10040b","","x-ray","1.54184","CuKα","","0.0955","0.0867","","","0.245","0.2604","","","","","","1.098","","","","has coordinates","306339","2026-06-05","18:38:47",""
"1576776","11.3057","0.0003","15.3237","0.0005","16.8638","0.0005","90.985","0.003","109.561","0.003","100.644","0.003","2695.72","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H28 Br8 F4 N8 O4 -","- C56 H28 Br8 F4 N8 O4 -","- C112 H56 Br16 F8 N16 O8 -","2","1","","Tian, Yingxian; Xiong, Yiyan; Wei, Jingyu; Zhu, Gongming; Chang, Junbiao; Liu, Bingxian","A difluorocarbene-triggered annulation/ring expansion cascade <i>via</i> sequential single-atom-insertions: direct assembly of 2-fluoroquinazolinones from azo compounds.","Chemical science","2026","17","16","8136","8147","10.1039/d6sc00897f","","x-ray","1.54184","CuKα","","0.0799","0.0486","","","0.1535","0.1869","","","","","","1.027","","","","has coordinates","306315","2026-06-05","18:34:49",""
"1576777","8.5732","0.0006","14.6314","0.0008","17.7652","0.0012","90","","94.176","0.003","90","","2222.5","0.2","193","","193","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H78 Cl2 Fe2 P4 -","- C40 H78 Cl2 Fe2 P4 -","- C80 H156 Cl4 Fe4 P8 -","2","0.5","","Jori, Nadir; Corona, Helena; Soto, Enrique; Fernández, Israel; Campos, Jesús","Metal-metal <i>vs.</i> metal-ligand cooperation in iron-mediated activation and catalytic reduction of nitrous oxide and nitrobenzene.","Chemical science","2026","17","18","9018","9026","10.1039/d5sc07656k","","","0.71073","MoKα","","0.0569","0.0361","","","0.0707","0.0809","","","","","","1.045","","","","has coordinates","306346","2026-06-05","18:39:49",""
"1576778","13.1363","0.0007","18.0228","0.001","25.0443","0.0011","90","","96.049","0.003","90","","5896.3","0.5","150","","150","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C58 H56 B F24 Fe N O P2 -","- C58 H56 B F24 Fe N O P2 -","- C232 H224 B4 F96 Fe4 N4 O4 P8 -","4","1","","Jori, Nadir; Corona, Helena; Soto, Enrique; Fernández, Israel; Campos, Jesús","Metal-metal <i>vs.</i> metal-ligand cooperation in iron-mediated activation and catalytic reduction of nitrous oxide and nitrobenzene.","Chemical science","2026","17","18","9018","9026","10.1039/d5sc07656k","","","0.71073","MoKα","","0.089","0.0665","","","0.1298","0.1398","","","","","","1.083","","","","has coordinates,has disorder","306346","2026-06-05","18:39:49",""
"1576779","12.3633","0.0007","12.7575","0.0007","18.6259","0.0011","96.758","0.002","90.524","0.002","96.518","0.002","2897.7","0.3","193","","193","","","","","","","","","7","P -1","-P 1","2","","C52H51BF24FeN2P2","","- C52 H51 B F24 Fe N2 P2 -","- C52 H51 B F24 Fe N2 P2 -","- C104 H102 B2 F48 Fe2 N4 P4 -","2","1","","Jori, Nadir; Corona, Helena; Soto, Enrique; Fernández, Israel; Campos, Jesús","Metal-metal <i>vs.</i> metal-ligand cooperation in iron-mediated activation and catalytic reduction of nitrous oxide and nitrobenzene.","Chemical science","2026","17","18","9018","9026","10.1039/d5sc07656k","","","0.71073","MoKα","","0.1312","0.094","","","0.2508","0.2862","","","","","","1.024","","","","has coordinates,has disorder","306346","2026-06-05","18:39:49",""
"1576780","12.2745","0.0005","12.792","0.0006","36.624","0.0015","91.121","0.002","95.599","0.002","94.996","0.002","5699.1","0.4","193","","193","","","","","","","","","6","P -1","-P 1","2","","C52H51BF24FeP2","","- C52 H51 B F24 Fe P2 -","- C52 H51 B F24 Fe P2 -","- C208 H204 B4 F96 Fe4 P8 -","4","2","","Jori, Nadir; Corona, Helena; Soto, Enrique; Fernández, Israel; Campos, Jesús","Metal-metal <i>vs.</i> metal-ligand cooperation in iron-mediated activation and catalytic reduction of nitrous oxide and nitrobenzene.","Chemical science","2026","17","18","9018","9026","10.1039/d5sc07656k","","","0.71073","MoKα","","0.1395","0.1067","","","0.2948","0.3231","","","","","","1.011","","","","has coordinates,has disorder","306346","2026-06-05","18:39:49",""
"1576781","12.3363","0.0014","12.7312","0.0015","18.623","0.002","96.854","0.005","90.903","0.005","96.757","0.004","2882.5","0.6","193","","193","","","","","","","","","7","P -1","-P 1","2","","","","- C52 H50.53 B F24 Fe O P2 -","- C52 H51 B F24 Fe O P2 -","- C104 H102 B2 F48 Fe2 O2 P4 -","2","1","","Jori, Nadir; Corona, Helena; Soto, Enrique; Fernández, Israel; Campos, Jesús","Metal-metal <i>vs.</i> metal-ligand cooperation in iron-mediated activation and catalytic reduction of nitrous oxide and nitrobenzene.","Chemical science","2026","17","18","9018","9026","10.1039/d5sc07656k","","","0.71073","MoKα","","0.2406","0.1689","","","0.3717","0.4259","","","","","","1.137","","","","has coordinates,has disorder","306346","2026-06-05","18:39:49",""
"1576782","12.801","0.002","13.0443","0.0018","17.892","0.003","78.22","0.006","69.724","0.006","78.417","0.006","2715.8","0.7","110","","110","","","","","","","","","6","P -1","-P 1","2","","C52H49BF24FeP2","","- C52 H49 B F24 Fe P2 -","- C52 H49 B F24 Fe P2 -","- C104 H98 B2 F48 Fe2 P4 -","2","1","","Jori, Nadir; Corona, Helena; Soto, Enrique; Fernández, Israel; Campos, Jesús","Metal-metal <i>vs.</i> metal-ligand cooperation in iron-mediated activation and catalytic reduction of nitrous oxide and nitrobenzene.","Chemical science","2026","17","18","9018","9026","10.1039/d5sc07656k","","x-ray","0.71073","MoKα","","0.0911","0.0668","","","0.1557","0.1694","","","","","","1.054","","","","has coordinates,has disorder","306346","2026-06-05","18:39:49",""
"1576783","42.29","0.005","14.2781","0.0017","25.93","0.003","90","","123.835","0.004","90","","13005","3","150","","150","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","C62H66BF24FeNO2P2","","- C62 H66 B F24 Fe N O2 P2 -","- C62 H66 B F24 Fe N O2 P2 -","- C496 H528 B8 F192 Fe8 N8 O16 P16 -","8","1","","Jori, Nadir; Corona, Helena; Soto, Enrique; Fernández, Israel; Campos, Jesús","Metal-metal <i>vs.</i> metal-ligand cooperation in iron-mediated activation and catalytic reduction of nitrous oxide and nitrobenzene.","Chemical science","2026","17","18","9018","9026","10.1039/d5sc07656k","","","0.71073","MoKα","","0.1436","0.0928","","","0.2136","0.2445","","","","","","1.016","","","","has coordinates,has disorder","306346","2026-06-05","18:39:49",""
"1576784","12.4178","0.0015","12.6184","0.0015","18.884","0.002","102.952","0.004","92.919","0.004","95.205","0.004","2864.1","0.6","150","","150","","","","","","","","","8","P -1","-P 1","2","","C52H53BF24FeN2OP2","","- C52 H52 B F24 Fe N2 O P2 -","- C52 H52 B F24 Fe N2 O P2 -","- C104 H104 B2 F48 Fe2 N4 O2 P4 -","2","1","","Jori, Nadir; Corona, Helena; Soto, Enrique; Fernández, Israel; Campos, Jesús","Metal-metal <i>vs.</i> metal-ligand cooperation in iron-mediated activation and catalytic reduction of nitrous oxide and nitrobenzene.","Chemical science","2026","17","18","9018","9026","10.1039/d5sc07656k","","x-ray","0.71073","MoKα","","0.0678","0.0665","","","0.1712","0.172","","","","","","1.098","","","","has coordinates,has disorder","306346","2026-06-05","18:39:49",""
"1576785","16.9984","0.0013","15.6051","0.0012","18.0517","0.0014","90","","113.509","0.001","90","","4391","0.6","133.15","","133.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C50 H71 Nd S -","- C50 H71 Nd S -","- C200 H284 Nd4 S4 -","4","1","","Luevano, Makayla R.; Stennett, Cary R.; Ma, Eric; Ziller, Joseph W.; Furche, Filipp; Evans, William J.","Unexpected dispersion-stabilized tris(terphenylthiolate) complexes, Ln(SAr <sup><i>i</i>Pr6</sup>)<sub>3</sub>, arising from two-electron reduction by Ln(SAr <sup><i>i</i>Pr6</sup>)<sub>2</sub> [Ar <sup><i>i</i>Pr6</sup> = C<sub>6</sub>H<sub>3</sub>-2,6-(C<sub>6</sub>H<sub>2</sub>-2,6,4- <sup><i>i</i></sup> Pr<sub>3</sub>)<sub>2</sub>].","Chemical science","2026","17","16","8160","8167","10.1039/d6sc00248j","","","0.71073","MoKα","","0.0484","0.0356","","","0.0852","0.0931","","","","","","1.038","","","","has coordinates","305772","2026-05-05","08:54:09",""
"1576786","14.5687","0.0004","17.1846","0.0005","16.8389","0.0005","90","","113.682","0.001","90","","3860.73","0.19","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H57 La S -","- C44 H57 La S -","- C176 H228 La4 S4 -","4","1","","Luevano, Makayla R.; Stennett, Cary R.; Ma, Eric; Ziller, Joseph W.; Furche, Filipp; Evans, William J.","Unexpected dispersion-stabilized tris(terphenylthiolate) complexes, Ln(SAr <sup><i>i</i>Pr6</sup>)<sub>3</sub>, arising from two-electron reduction by Ln(SAr <sup><i>i</i>Pr6</sup>)<sub>2</sub> [Ar <sup><i>i</i>Pr6</sup> = C<sub>6</sub>H<sub>3</sub>-2,6-(C<sub>6</sub>H<sub>2</sub>-2,6,4- <sup><i>i</i></sup> Pr<sub>3</sub>)<sub>2</sub>].","Chemical science","2026","17","16","8160","8167","10.1039/d6sc00248j","","","0.71073","MoKα","","0.0179","0.0166","","","0.0421","0.0426","","","","","","1.063","","","","has coordinates","305772","2026-05-05","08:54:09",""
"1576787","14.8533","0.001","44.125","0.003","16.4431","0.0011","90","","100.232","0.001","90","","10605.4","1.2","100.11","","100.11","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C108 H147 La S3 -","- C108 H147 La S3 -","- C432 H588 La4 S12 -","4","1","","Luevano, Makayla R.; Stennett, Cary R.; Ma, Eric; Ziller, Joseph W.; Furche, Filipp; Evans, William J.","Unexpected dispersion-stabilized tris(terphenylthiolate) complexes, Ln(SAr <sup><i>i</i>Pr6</sup>)<sub>3</sub>, arising from two-electron reduction by Ln(SAr <sup><i>i</i>Pr6</sup>)<sub>2</sub> [Ar <sup><i>i</i>Pr6</sup> = C<sub>6</sub>H<sub>3</sub>-2,6-(C<sub>6</sub>H<sub>2</sub>-2,6,4- <sup><i>i</i></sup> Pr<sub>3</sub>)<sub>2</sub>].","Chemical science","2026","17","16","8160","8167","10.1039/d6sc00248j","","","0.71073","MoKα","","0.082","0.0521","","","0.1046","0.1136","","","","","","1.02","","","","has coordinates,has disorder","305772","2026-05-05","08:54:09",""
"1576788","14.301","0.003","16.545","0.003","19.403","0.004","75.445","0.003","79.623","0.003","74.563","0.003","4251.6","1.5","93.14","","93.14","","","","","","","","","5","P -1","-P 1","2","","","","- C43 H57 I2 Nd S -","- C43 H57 I2 Nd S -","- C172 H228 I8 Nd4 S4 -","4","2","","Luevano, Makayla R.; Stennett, Cary R.; Ma, Eric; Ziller, Joseph W.; Furche, Filipp; Evans, William J.","Unexpected dispersion-stabilized tris(terphenylthiolate) complexes, Ln(SAr <sup><i>i</i>Pr6</sup>)<sub>3</sub>, arising from two-electron reduction by Ln(SAr <sup><i>i</i>Pr6</sup>)<sub>2</sub> [Ar <sup><i>i</i>Pr6</sup> = C<sub>6</sub>H<sub>3</sub>-2,6-(C<sub>6</sub>H<sub>2</sub>-2,6,4- <sup><i>i</i></sup> Pr<sub>3</sub>)<sub>2</sub>].","Chemical science","2026","17","16","8160","8167","10.1039/d6sc00248j","","","0.71073","MoKα","","0.0411","0.0284","","","0.0543","0.0582","","","","","","1.041","","","","has coordinates,has disorder","305772","2026-05-05","08:54:09",""
"1576789","16.9455","0.0006","15.7077","0.0005","18.2737","0.0006","90","","113.228","0.001","90","","4469.7","0.3","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C50 H71 La S -","- C50 H71 La S -","- C200 H284 La4 S4 -","4","1","","Luevano, Makayla R.; Stennett, Cary R.; Ma, Eric; Ziller, Joseph W.; Furche, Filipp; Evans, William J.","Unexpected dispersion-stabilized tris(terphenylthiolate) complexes, Ln(SAr <sup><i>i</i>Pr6</sup>)<sub>3</sub>, arising from two-electron reduction by Ln(SAr <sup><i>i</i>Pr6</sup>)<sub>2</sub> [Ar <sup><i>i</i>Pr6</sup> = C<sub>6</sub>H<sub>3</sub>-2,6-(C<sub>6</sub>H<sub>2</sub>-2,6,4- <sup><i>i</i></sup> Pr<sub>3</sub>)<sub>2</sub>].","Chemical science","2026","17","16","8160","8167","10.1039/d6sc00248j","","","0.71073","MoKα","","0.0739","0.0427","","","0.0905","0.103","","","","","","1.009","","","","has coordinates,has disorder","305772","2026-05-05","08:54:09",""
"1576790","14.123","0.0002","18.5883","0.0003","21.7952","0.0003","77.949","0.001","81.449","0.001","83.276","0.001","5511.49","0.14","93.15","","93.15","","","","","","","","","4","P -1","-P 1","2","","","","- C108 H147 Nd S3 -","- C108 H147 Nd S3 -","- C216 H294 Nd2 S6 -","2","1","","Luevano, Makayla R.; Stennett, Cary R.; Ma, Eric; Ziller, Joseph W.; Furche, Filipp; Evans, William J.","Unexpected dispersion-stabilized tris(terphenylthiolate) complexes, Ln(SAr <sup><i>i</i>Pr6</sup>)<sub>3</sub>, arising from two-electron reduction by Ln(SAr <sup><i>i</i>Pr6</sup>)<sub>2</sub> [Ar <sup><i>i</i>Pr6</sup> = C<sub>6</sub>H<sub>3</sub>-2,6-(C<sub>6</sub>H<sub>2</sub>-2,6,4- <sup><i>i</i></sup> Pr<sub>3</sub>)<sub>2</sub>].","Chemical science","2026","17","16","8160","8167","10.1039/d6sc00248j","","","1.54178","CuKα","","0.0734","0.0552","","","0.1362","0.1458","","","","","","1.052","","","","has coordinates,has disorder","305772","2026-05-05","08:54:09",""
"1576791","10.4962","0.0001","16.7168","0.0002","14.4309","0.0001","90","","90.026","0.001","90","","2532.09","0.04","200","0.1","200","0.1","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C35 H54 F6 N4 O9 P2 S2 -","- C35 H54 F6 N4 O9 P2 S2 -","- C70 H108 F12 N8 O18 P4 S4 -","2","1","","Royla, Philipp; Schwedtmann, Kai; Gomila, Rosa M.; Frontera, Antonio; Weigand, Jan J.","Chemoselectivity in the cationic Phospha-Wittig reaction: accessing phosphorus heterocycles, phosphaalkenes, and their annulated [4 + 2] dimers.","Chemical science","2026","17","9","4678","4687","10.1039/d5sc08693k","","x-ray","1.54184","CuKα","","0.0515","0.047","","","0.132","0.1394","","","","","","1.033","","","","has coordinates,has disorder","305781","2026-05-05","08:57:12",""
"1576792","13.7455","0.0003","13.7455","0.0003","48.9066","0.001","90","","90","","120","","8002.4","0.3","99.98","0.1","99.98","0.1","","","","","","","","7","P 65","P 65","170","","","","- C44 H63 F6 N7 O11 P2 S2 -","- C44 H63 F6 N7 O11 P2 S2 -","- C264 H378 F36 N42 O66 P12 S12 -","6","1","","Royla, Philipp; Schwedtmann, Kai; Gomila, Rosa M.; Frontera, Antonio; Weigand, Jan J.","Chemoselectivity in the cationic Phospha-Wittig reaction: accessing phosphorus heterocycles, phosphaalkenes, and their annulated [4 + 2] dimers.","Chemical science","2026","17","9","4678","4687","10.1039/d5sc08693k","","x-ray","1.54184","CuKα","","0.0748","0.0613","","","0.1556","0.1664","","","","","","1.047","","","","has coordinates,has disorder","305781","2026-05-05","08:57:12",""
"1576793","10.2822","0.0003","13.2602","0.0004","17.8827","0.0005","94.291","0.002","97.156","0.003","90.21","0.003","2412.22","0.12","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C42 H53 F6 N7 O6 P2 S2 -","- C42 H53 F6 N7 O6 P2 S2 -","- C84 H106 F12 N14 O12 P4 S4 -","2","1","","Royla, Philipp; Schwedtmann, Kai; Gomila, Rosa M.; Frontera, Antonio; Weigand, Jan J.","Chemoselectivity in the cationic Phospha-Wittig reaction: accessing phosphorus heterocycles, phosphaalkenes, and their annulated [4 + 2] dimers.","Chemical science","2026","17","9","4678","4687","10.1039/d5sc08693k","","x-ray","1.54184","CuKα","","0.0514","0.0454","","","0.1205","0.126","","","","","","1.019","","","","has coordinates,has disorder","305781","2026-05-05","08:57:12",""
"1576794","33.48865","0.00011","18.15171","0.00006","22.02616","0.00006","90","","92.3847","0.0003","90","","13377.6","0.07","100.02","0.1","100.02","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38 H42 F16 N4 O6 P2 S2 -","- C38 H42 F16 N4 O6 P2 S2 -","- C456 H504 F192 N48 O72 P24 S24 -","12","3","","Royla, Philipp; Schwedtmann, Kai; Gomila, Rosa M.; Frontera, Antonio; Weigand, Jan J.","Chemoselectivity in the cationic Phospha-Wittig reaction: accessing phosphorus heterocycles, phosphaalkenes, and their annulated [4 + 2] dimers.","Chemical science","2026","17","9","4678","4687","10.1039/d5sc08693k","","x-ray","1.54184","CuKα","","0.0381","0.0334","","","0.0859","0.0894","","","","","","1.016","","","","has coordinates,has disorder","305781","2026-05-05","08:57:12",""
"1576795","9.5421","0.0001","20.016","0.0002","11.7739","0.0002","90","","100.886","0.001","90","","2208.29","0.05","100","0.1","100","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C17 H30 F3 N2 O3 P S -","- C17 H30 F3 N2 O3 P S -","- C68 H120 F12 N8 O12 P4 S4 -","4","1","","Royla, Philipp; Schwedtmann, Kai; Gomila, Rosa M.; Frontera, Antonio; Weigand, Jan J.","Chemoselectivity in the cationic Phospha-Wittig reaction: accessing phosphorus heterocycles, phosphaalkenes, and their annulated [4 + 2] dimers.","Chemical science","2026","17","9","4678","4687","10.1039/d5sc08693k","","x-ray","1.54184","CuKα","","0.0501","0.0457","","","0.1156","0.1181","","","","","","1.091","","","","has coordinates","305781","2026-05-05","08:57:12",""
"1576796","14.8279","0.0001","15.676","0.0001","26.6476","0.0002","90","","99.586","0.001","90","","6107.54","0.08","100","0.2","100","0.2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C49 H66 F15 N6 O9 P3 S3 -","- C49.006 H66.005 F15.001 N6 O9 P3 S3 -","- C196.024 H264.02 F60.004 N24 O36 P12 S12 -","4","1","","Royla, Philipp; Schwedtmann, Kai; Gomila, Rosa M.; Frontera, Antonio; Weigand, Jan J.","Chemoselectivity in the cationic Phospha-Wittig reaction: accessing phosphorus heterocycles, phosphaalkenes, and their annulated [4 + 2] dimers.","Chemical science","2026","17","9","4678","4687","10.1039/d5sc08693k","","x-ray","1.54184","CuKα","","0.0654","0.0575","","","0.1668","0.1766","","","","","","1.038","","","","has coordinates,has disorder","305781","2026-05-05","08:57:12",""
"1576797","18.3115","0.0002","12.4673","0.0002","19.7589","0.0003","90","","102.704","0.001","90","","4400.43","0.11","100.01","0.1","100.01","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C37 H49 Br F8 N4 O6 P2 S2 -","- C37 H49 Br F8 N4 O6 P2 S2 -","- C148 H196 Br4 F32 N16 O24 P8 S8 -","4","1","","Royla, Philipp; Schwedtmann, Kai; Gomila, Rosa M.; Frontera, Antonio; Weigand, Jan J.","Chemoselectivity in the cationic Phospha-Wittig reaction: accessing phosphorus heterocycles, phosphaalkenes, and their annulated [4 + 2] dimers.","Chemical science","2026","17","9","4678","4687","10.1039/d5sc08693k","","x-ray","1.54184","CuKα","","0.0294","0.0271","","","0.0683","0.0698","","","","","","1.028","","","","has coordinates","305781","2026-05-05","08:57:12",""
"1576798","10.9428","0.0001","14.6785","0.0001","14.0224","0.0002","90","","97.491","0.001","90","","2233.11","0.04","100","0.1","100","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H42 F16 N4 O6 P2 S2 -","- C38 H42 F16 N4 O6 P2 S2 -","- C76 H84 F32 N8 O12 P4 S4 -","2","0.5","","Royla, Philipp; Schwedtmann, Kai; Gomila, Rosa M.; Frontera, Antonio; Weigand, Jan J.","Chemoselectivity in the cationic Phospha-Wittig reaction: accessing phosphorus heterocycles, phosphaalkenes, and their annulated [4 + 2] dimers.","Chemical science","2026","17","9","4678","4687","10.1039/d5sc08693k","","x-ray","1.54184","CuKα","","0.0418","0.0386","","","0.1037","0.1071","","","","","","1.04","","","","has coordinates,has disorder","305781","2026-05-05","08:57:12",""
"1576799","25.0983","0.0007","9.1242","0.0002","20.5645","0.0004","90","","109.348","0.002","90","","4443.35","0.19","100","0.1","100","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C40 H50 F6 N6 O6 P2 S2 -","- C40 H50 F6 N6 O6 P2 S2 -","- C160 H200 F24 N24 O24 P8 S8 -","4","0.5","","Royla, Philipp; Schwedtmann, Kai; Gomila, Rosa M.; Frontera, Antonio; Weigand, Jan J.","Chemoselectivity in the cationic Phospha-Wittig reaction: accessing phosphorus heterocycles, phosphaalkenes, and their annulated [4 + 2] dimers.","Chemical science","2026","17","9","4678","4687","10.1039/d5sc08693k","","x-ray","1.54184","CuKα","","0.0545","0.0415","","","0.1056","0.1148","","","","","","1.022","","","","has coordinates","305781","2026-05-05","08:57:12",""
"1576800","10.5851","0.0001","18.8359","0.0002","17.7309","0.0001","90","","94.902","0.001","90","","3522.25","0.05","100","0.1","100","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H53 F3 N2 O6 P2 S -","- C30 H53 F3 N2 O6 P2 S -","- C120 H212 F12 N8 O24 P8 S4 -","4","1","","Royla, Philipp; Schwedtmann, Kai; Gomila, Rosa M.; Frontera, Antonio; Weigand, Jan J.","Chemoselectivity in the cationic Phospha-Wittig reaction: accessing phosphorus heterocycles, phosphaalkenes, and their annulated [4 + 2] dimers.","Chemical science","2026","17","9","4678","4687","10.1039/d5sc08693k","","x-ray","1.54184","CuKα","","0.0459","0.0431","","","0.116","0.1189","","","","","","1.028","","","","has coordinates","305781","2026-05-05","08:57:12",""
"1576801","21.549","0.0002","8.4698","0.0001","15.2411","0.0001","90","","90","","90","","2781.74","0.05","100.01","0.1","100.01","0.1","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C25 H35 F3 N3 O5 P S -","- C25 H35 F3 N3 O5 P S -","- C100 H140 F12 N12 O20 P4 S4 -","4","1","","Royla, Philipp; Schwedtmann, Kai; Gomila, Rosa M.; Frontera, Antonio; Weigand, Jan J.","Chemoselectivity in the cationic Phospha-Wittig reaction: accessing phosphorus heterocycles, phosphaalkenes, and their annulated [4 + 2] dimers.","Chemical science","2026","17","9","4678","4687","10.1039/d5sc08693k","","x-ray","1.54184","CuKα","","0.0279","0.0275","","","0.0737","0.0741","","","","","","1.05","","","","has coordinates","305781","2026-05-05","08:57:12",""
"1576802","10.9283","0.0004","14.6147","0.0003","16.8837","0.0006","90","","95.322","0.004","90","","2684.94","0.15","100","0.1","100","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H33 F3 N3 O5 P S -","- C25 H33 F3 N3 O5 P S -","- C100 H132 F12 N12 O20 P4 S4 -","4","1","","Royla, Philipp; Schwedtmann, Kai; Gomila, Rosa M.; Frontera, Antonio; Weigand, Jan J.","Chemoselectivity in the cationic Phospha-Wittig reaction: accessing phosphorus heterocycles, phosphaalkenes, and their annulated [4 + 2] dimers.","Chemical science","2026","17","9","4678","4687","10.1039/d5sc08693k","","x-ray","1.54184","CuKα","","0.0861","0.0712","","","0.1887","0.1999","","","","","","1.072","","","","has coordinates","305781","2026-05-05","08:57:12",""
"1576803","13.68062","0.00004","13.68062","0.00004","22.05367","0.00011","90","","90","","90","","4127.55","0.03","100","0.1","100","0.1","","","","","","","","7","P 41","P 4w","76","","","","- C31 H41 F11 N4 O6 P2 S2 -","- C31 H41 F11 N4 O6 P2 S2 -","- C124 H164 F44 N16 O24 P8 S8 -","4","1","","Royla, Philipp; Schwedtmann, Kai; Gomila, Rosa M.; Frontera, Antonio; Weigand, Jan J.","Chemoselectivity in the cationic Phospha-Wittig reaction: accessing phosphorus heterocycles, phosphaalkenes, and their annulated [4 + 2] dimers.","Chemical science","2026","17","9","4678","4687","10.1039/d5sc08693k","","x-ray","1.54184","CuKα","","0.0276","0.0273","","","0.071","0.0712","","","","","","1.033","","","","has coordinates,has disorder","305781","2026-05-05","08:57:12",""
"1576804","9.6269","0.0006","26.2948","0.0018","18.146","0.0013","90","","92.044","0.006","90","","4590.5","0.5","99.94","0.13","99.94","0.13","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 F8 N2 O3 P S -","- C19 H21 F8 N2 O3 P S -","- C152 H168 F64 N16 O24 P8 S8 -","8","2","","Royla, Philipp; Schwedtmann, Kai; Gomila, Rosa M.; Frontera, Antonio; Weigand, Jan J.","Chemoselectivity in the cationic Phospha-Wittig reaction: accessing phosphorus heterocycles, phosphaalkenes, and their annulated [4 + 2] dimers.","Chemical science","2026","17","9","4678","4687","10.1039/d5sc08693k","","x-ray","1.54184","CuKα","","0.0989","0.0708","","","0.1626","0.1788","","","","","","1.015","","","","has coordinates,has disorder","305781","2026-05-05","08:57:12",""
"1576805","21.189","0.004","22.633","0.003","23.227","0.004","62.872","0.01","77.08","0.03","69.898","0.014","9280","3","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C97.5 H234 N48 O86 Pd6 -","- C97.5 H165 N48 O51.5 Pd6 -","- C195 H330 N96 O103 Pd12 -","2","2","","Maitra, Pranay Kumar; Rinshad, Valiyakath Abdul; Hickey, Neal; Mukherjee, Partha Sarathi","Selective photocatalytic oxidative cleavage of terminal alkynes to carboxylic acids within a water-soluble Pd<sub>6</sub> nanocage.","Chemical science","2026","17","9","4487","4495","10.1039/d5sc08202a","","","0.7","synchrotron","","0.1573","0.0682","","","0.1584","0.185","","","","","","0.947","","","","has coordinates,has disorder","304819","2026-03-05","00:57:31",""
"1576806","11.0634","0.0004","18.5248","0.0007","16.7331","0.0007","90","","103.568","0.002","90","","3333.7","0.2","100","2","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H38 N3 Na O S Si2 -","- C30 H38 N3 Na O S Si2 -","- C120 H152 N12 Na4 O4 S4 Si8 -","4","1","","Mrózek, Ondřej; Heil, Tabea; Hanzl, Lukáš; Belyaev, Andrey; Sen, Indranil; Pilch, Patrick; Wang, Zhe; Steffen, Andreas","Sodium-based donor-acceptor assemblies featuring thermally activated delayed fluorescence enabled by highly efficient through-space charge transfer.","Chemical science","2026","17","9","4803","4813","10.1039/d5sc08432f","","","0.71073","MoKα","","0.0505","0.0453","","","0.1302","0.1353","","","","","","1.049","","","","has coordinates,has disorder","305335","2026-04-05","11:53:12",""
"1576807","14.9815","0.0003","13.403","0.0003","20.4053","0.0004","90","","92.804","0.001","90","","4092.42","0.15","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H35 N6 Na S Si2 -","- C38 H35 N6 Na S Si2 -","- C152 H140 N24 Na4 S4 Si8 -","4","1","","Mrózek, Ondřej; Heil, Tabea; Hanzl, Lukáš; Belyaev, Andrey; Sen, Indranil; Pilch, Patrick; Wang, Zhe; Steffen, Andreas","Sodium-based donor-acceptor assemblies featuring thermally activated delayed fluorescence enabled by highly efficient through-space charge transfer.","Chemical science","2026","17","9","4803","4813","10.1039/d5sc08432f","","","1.54178","CuKα","","0.1085","0.0817","","","0.2143","0.2317","","","","","","1.105","","","","has coordinates,has disorder","305335","2026-04-05","11:53:12",""
"1576808","15.4084","0.0009","7.9638","0.0005","18.8192","0.0012","90","","112.025","0.002","90","","2140.8","0.2","143","","143","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C33 H20 O2 -","- C33 H20 O2 -","- C132 H80 O8 -","4","1","","Chen, Yuanyuan; Zhang, Yue; Wu, Guoyi; Luo, Ting; Jiang, Jialiang; Wang, Tengyue; Guo, Xiaoya; Zhang, Kaka","Ultrabright and narrowband organic afterglow achieved by molecular engineering of coronene.","Chemical science","2026","17","9","4538","4547","10.1039/d5sc08966b","","","0.71073","MoKα","","0.0812","0.0698","","","0.1686","0.1789","","","","","","1.053","","","","has coordinates","304821","2026-03-05","00:58:38",""
"1576809","24.5308","0.0004","10.3508","0.0002","31.7355","0.0006","90","","111.309","0.002","90","","7507.2","0.3","169.99","0.1","169.99","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C47 H40 B N3 O2 -","- C47 H40 B N3 O2 -","- C376 H320 B8 N24 O16 -","8","1","","Qin, Yanyan; She, Pengfei; Wang, Xiaoda; Wu, Jianjun; Lian, Mingbing; Li, Feiyang; Liu, Shujuan; Gu, Qianfeng; Ma, Yun; Zhao, Qiang; Zhang, Qichun","Realizing luminescent single crystals of covalent organic polymers with color-tunable emission through isomer engineering.","Chemical science","2026","17","17","8662","8669","10.1039/d5sc09875k","","x-ray","1.54184","CuKα","","0.0717","0.0669","","","0.1907","0.1975","","","","","","1.018","","","","has coordinates,has disorder","306299","2026-06-05","18:31:32",""
"1576810","16.4184","0.0002","17.0819","0.0002","21.1989","0.0002","90","","106.929","0.001","90","","5687.75","0.11","170.06","0.1","170.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C70 H50 B2 N6 O4 -","- C69.9992 H49.999 B2 N6 O4 -","- C279.997 H199.996 B8 N24 O16 -","4","1","","Qin, Yanyan; She, Pengfei; Wang, Xiaoda; Wu, Jianjun; Lian, Mingbing; Li, Feiyang; Liu, Shujuan; Gu, Qianfeng; Ma, Yun; Zhao, Qiang; Zhang, Qichun","Realizing luminescent single crystals of covalent organic polymers with color-tunable emission through isomer engineering.","Chemical science","2026","17","17","8662","8669","10.1039/d5sc09875k","","","1.54184","CuKα","","0.0564","0.0476","","","0.13","0.1368","","","","","","1.042","","","","has coordinates,has disorder","306299","2026-06-05","18:31:32",""
"1576811","15.33347","0.00012","8.93579","0.00007","15.08676","0.00013","90","","108.379","0.0009","90","","1961.7","0.03","120.01","0.1","120.01","0.1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C11 H17 Cl6 N2 O2 Ru -","- C11 H17 Cl6 N2 O2 Ru -","- C44 H68 Cl24 N8 O8 Ru4 -","4","0.5","","Cidlinská, Dora; Chyba, Jan; Munzarová, Markéta; Yurenko, Yevgen; Novotný, Jan; Marek, Radek","Unraveling the coordination isomerism by ligand hyperfine NMR shifts.","Chemical science","2026","17","18","9042","9048","10.1039/d5sc09905f","","","1.54184","CuKα","","0.0219","0.0218","","","0.0592","0.0592","","","","","","1.125","","","","has coordinates","306344","2026-06-05","18:39:20",""
"1576812","7.70943","0.00012","8.63316","0.00011","25.6307","0.0002","86.5353","0.0009","86.7221","0.001","81.2162","0.0012","1680.82","0.04","119.98","0.1","119.98","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C10 H15 Cl4 N2 O2 Ru -","- C10 H15 Cl4 N2 O2 Ru -","- C40 H60 Cl16 N8 O8 Ru4 -","4","2","","Cidlinská, Dora; Chyba, Jan; Munzarová, Markéta; Yurenko, Yevgen; Novotný, Jan; Marek, Radek","Unraveling the coordination isomerism by ligand hyperfine NMR shifts.","Chemical science","2026","17","18","9042","9048","10.1039/d5sc09905f","","","1.54184","CuKα","","0.0369","0.0352","","","0.0965","0.0977","","","","","","1.076","","","","has coordinates","306344","2026-06-05","18:39:20",""
"1576813","10.0731","0.0004","12.6282","0.0006","12.997","0.0006","100.54","0.004","105.121","0.004","91.458","0.004","1564.45","0.13","298","","298","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H15 F N -","- C21 H15 F N -","- C84 H60 F4 N4 -","4","2","","Ye, Yuan-Ji; Wei, Xiang-Long; Yang, Xi; Chen, Yu-Dong; Weng, Ming-Cen; Chen, Hong-Ming; Lin, Mei-Jin","Color-tunable hot-exciton organic glassy supramolecular scintillators enabled by host-guest co-melting.","Chemical science","2026","17","18","9297","9310","10.1039/d6sc00159a","","x-ray","0.71073","MoKα","","0.0905","0.0472","","","0.104","0.1187","","","","","","1.028","","","","has coordinates","306338","2026-06-05","18:38:44",""
"1576814","20.506","0.003","9.89","0.0013","24.23","0.004","90","","91.1","0.004","90","","4913","1.3","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C3.71 H2.29 Br0.57 Cl0.02 O0.02 -","- C3.71429 H2.28571 Br0.571429 -","- C208 H128 Br32 -","56","14","","Ye, Yuan-Ji; Wei, Xiang-Long; Yang, Xi; Chen, Yu-Dong; Weng, Ming-Cen; Chen, Hong-Ming; Lin, Mei-Jin","Color-tunable hot-exciton organic glassy supramolecular scintillators enabled by host-guest co-melting.","Chemical science","2026","17","18","9297","9310","10.1039/d6sc00159a","","","0.71073","MoKα","","0.1297","0.0523","","","0.1317","0.1931","","","","","","1.065","","","","has coordinates","306338","2026-06-05","18:38:44",""
"1576815","13.963","0.002","8.3017","0.0012","16.541","0.003","90","","108.509","0.017","90","","1818.2","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H8.5 F N0.5 -","- C12 H8.5 F N0.5 -","- C96 H68 F8 N4 -","8","2","","Ye, Yuan-Ji; Wei, Xiang-Long; Yang, Xi; Chen, Yu-Dong; Weng, Ming-Cen; Chen, Hong-Ming; Lin, Mei-Jin","Color-tunable hot-exciton organic glassy supramolecular scintillators enabled by host-guest co-melting.","Chemical science","2026","17","18","9297","9310","10.1039/d6sc00159a","","x-ray","0.71073","MoKα","","0.1012","0.0557","","","0.1313","0.152","","","","","","1.02","","","","has coordinates,has disorder","306338","2026-06-05","18:38:44",""
"1576816","8.9366","0.0005","11.8199","0.0006","13.6415","0.0006","107.883","0.004","93.526","0.004","102.12","0.004","1328.42","0.12","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H30 N2 S -","- C36 H28 N2 S -","- C72 H56 N4 S2 -","2","1","","Ye, Yuan-Ji; Wei, Xiang-Long; Yang, Xi; Chen, Yu-Dong; Weng, Ming-Cen; Chen, Hong-Ming; Lin, Mei-Jin","Color-tunable hot-exciton organic glassy supramolecular scintillators enabled by host-guest co-melting.","Chemical science","2026","17","18","9297","9310","10.1039/d6sc00159a","","x-ray","0.71073","MoKα","","0.0901","0.0558","","","0.1347","0.1511","","","","","","0.996","","","","has coordinates","306338","2026-06-05","18:38:44",""
"1576817","17.877","0.0009","18.2248","0.0009","18.6094","0.0009","90.143","0.002","115.081","0.002","111.391","0.002","5023.6","0.5","100","2","100.04","","","","","","","","","8","P -1","-P 1","2","","","","- C95.67 H91.34 Cl7.34 F18 N10 O2 P3 Rh -","- C95.6667 H91.3332 Cl7.3332 F18 N10 O2 P3 Rh -","- C191.333 H182.666 Cl14.6664 F36 N20 O4 P6 Rh2 -","2","1","","Jiang, Katherine Gui-Min; Xu, Guang-Xi; Lee, Lawrence Cho-Cheung; Wei, Fangfang; Wu, Siye; Wong, Keith Man-Chung; Lo, Kenneth Kam-Wing","Mitochondria-targeting cyclometallated rhodium(iii) complexes appended with two rhodamine units as Type I photosensitisers for bioimaging and photocytotoxicity applications by inducing pyroptosis.","Chemical science","2026","17","16","8197","8207","10.1039/d5sc09339b","","x-ray","0.71073","MoKα","","0.0779","0.0574","","","0.1616","0.1783","","","","","","1.053","","","","has coordinates,has disorder","305767","2026-05-05","08:53:24",""
"1576818","12.5786","0.0009","12.8514","0.001","16.1604","0.0014","87.211","0.003","85.428","0.003","82.345","0.003","2578.9","0.4","143","2","143","2","","","","","","","","6","P -1","-P 1","2","","","","- C61 H45 Ag F7 P3 S -","- C61 H45 Ag F7 P3 S -","- C122 H90 Ag2 F14 P6 S2 -","2","1","","Duary, Subrata; Mondal, Samapti; Manna, Souvik; Chowdhury, Soham; Pathak, Biswarup; Pradeep, Thalappil","Unravelling the reactions between a hydride-protected Ag<sub>18</sub> nanocluster and thiol by the crystallization of intermediates.","Nanoscale","2026","18","15","8361","8367","10.1039/d5nr04872a","","","0.71073","MoKα","","0.0358","0.0318","","","0.0825","0.0862","","","","","","1.057","","","","has coordinates","306451","2026-06-05","19:23:22",""
"1576819","29.0591","0.0012","29.0591","0.0012","14.8748","0.0009","90","","90","","120","","10877.9","0.9","298","2","298","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C150 H90 Ag6 F42 P6 S6 -","- C150 H90 Ag6 F42 P6 S6 -","- C450 H270 Ag18 F126 P18 S18 -","3","0.166667","","Duary, Subrata; Mondal, Samapti; Manna, Souvik; Chowdhury, Soham; Pathak, Biswarup; Pradeep, Thalappil","Unravelling the reactions between a hydride-protected Ag<sub>18</sub> nanocluster and thiol by the crystallization of intermediates.","Nanoscale","2026","18","15","8361","8367","10.1039/d5nr04872a","","","0.71073","MoKα","","0.128","0.0979","","","0.1899","0.2079","","","","","","1.146","","","","has coordinates,has disorder","306451","2026-06-05","19:23:22",""
"1576820","11.9161","0.001","17.3545","0.001","14.1611","0.0015","90","","108.981","0.011","90","","2769.3","0.4","293","","293","","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C33.5 H22 B N2 O2 S2 -","- C33.5 H22 B N2 O2 S2 -","- C134 H88 B4 N8 O8 S8 -","4","1","","Wang, Xin; Zhang, Yuchan; Zhang, Lei; Gu, Qianfeng; Liu, Qi; Ren, Yang; Lee, Chun-Sing; Zhang, Qichun","Crystalline covalent organic polymer as an effective zincophilic protective layer to boost the performance of aqueous zinc-ion batteries.","Chemical science","2026","17","17","8692","8700","10.1039/d5sc08630b","","","1.54184","CuKα","","0.1749","0.0901","","","0.2062","0.2538","","","","","","1.004","","","","has coordinates,has disorder","306303","2026-06-05","18:32:39",""
"1576821","49.7351","0.00016","37.8024","0.00008","40.7202","0.00011","90","","125.573","0.0002","90","","62270.6","0.3","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C181.5 H328 Fe4 K16 N24 O169 S24 -","- C181.5 H159 Fe4 K6.65 N24 O168.997 S24 -","- C1452 H1272 Fe32 K53.2 N192 O1351.98 S192 -","8","1","","Adorinni, Simone; Ryan, Hugh P.; Ma, Lillian; Ronson, Tanya K.; Gaikwad, Sudhakar; Rossi, Barbara; Nasi, Lucia; Nitschke, Jonathan R.; Marchesan, Silvia","Oppositely-charged coordination cages form a type I porous ionic liquid with two pore sizes.","Materials horizons","2026","13","10","5004","5009","10.1039/d5mh02121a","","","0.6889","Synchrotron","","0.1527","0.1216","","","0.3318","0.3577","","","","","","1.221","","","","has coordinates,has disorder","306511","2026-06-05","19:37:49",""
"1576822","10.1696","0.0003","23.2022","0.0006","13.7961","0.0004","90","","100.28","0.001","90","","3203.03","0.16","174.15","","174.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H30 Au2 B10 Cl2 P2 -","- C26 H30 Au2 B10 Cl2 P2 -","- C104 H120 Au8 B40 Cl8 P8 -","4","1","","Xie, Hao-Hui; Yang, Wen-Jing; Li, Ze-Jian; Ren, Ying-Zheng; Si, Nian; Liu, Peng-Fei; Tang, Yong-Xing; Zhang, Wen-Chao; Cui, Peng-Fei","Directing structural transformation in gold(i)-carborane nanoclusters to unlock ultrafast hypergolic ignition.","Chemical science","2026","17","17","8795","8802","10.1039/d6sc01070a","","","1.54184","CuKα","","0.0378","0.0341","","","0.0869","0.0879","","","","","","1.139","","","","has coordinates","306302","2026-06-05","18:31:53",""
"1576823","17.012","0.005","18.535","0.005","19.375","0.005","101.561","0.006","109.044","0.006","104.722","0.006","5310","3","296","","296","","","","","","","","","7","P -1","-P 1","2","","","","- C156 H180 Au18 B60 Cl2 P12 S8 -","- C156 H180 Au18 B60 Cl2 P12 S8 -","- C156 H180 Au18 B60 Cl2 P12 S8 -","1","0.5","","Xie, Hao-Hui; Yang, Wen-Jing; Li, Ze-Jian; Ren, Ying-Zheng; Si, Nian; Liu, Peng-Fei; Tang, Yong-Xing; Zhang, Wen-Chao; Cui, Peng-Fei","Directing structural transformation in gold(i)-carborane nanoclusters to unlock ultrafast hypergolic ignition.","Chemical science","2026","17","17","8795","8802","10.1039/d6sc01070a","","","0.71073","MoKα","","0.1793","0.1129","","","0.2631","0.3393","","","","","","1.066","","","","has coordinates","306302","2026-06-05","18:31:53",""
"1576824","20.7101","0.0011","24.5585","0.0012","30.2178","0.0014","90","","108.257","0.003","90","","14595.4","1.3","193.15","","193.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C104 H120 Au7 B38 P8 -","- C104 H120 Au7 B38 P8 -","- C416 H480 Au28 B152 P32 -","4","0.5","","Xie, Hao-Hui; Yang, Wen-Jing; Li, Ze-Jian; Ren, Ying-Zheng; Si, Nian; Liu, Peng-Fei; Tang, Yong-Xing; Zhang, Wen-Chao; Cui, Peng-Fei","Directing structural transformation in gold(i)-carborane nanoclusters to unlock ultrafast hypergolic ignition.","Chemical science","2026","17","17","8795","8802","10.1039/d6sc01070a","","","1.54184","CuKα","","0.0521","0.0407","","","0.0997","0.1051","","","","","","1.033","","","","has coordinates,has disorder","306302","2026-06-05","18:31:53",""
"1576825","13.2101","0.0005","22.4739","0.0008","26.7665","0.0009","90","","93.683","0.002","90","","7930.1","0.5","100.15","","100.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H60 Au8 B20 P4 S4 -","- C52 H60 Au8 B20 P4 S4 -","- C208 H240 Au32 B80 P16 S16 -","4","1","","Xie, Hao-Hui; Yang, Wen-Jing; Li, Ze-Jian; Ren, Ying-Zheng; Si, Nian; Liu, Peng-Fei; Tang, Yong-Xing; Zhang, Wen-Chao; Cui, Peng-Fei","Directing structural transformation in gold(i)-carborane nanoclusters to unlock ultrafast hypergolic ignition.","Chemical science","2026","17","17","8795","8802","10.1039/d6sc01070a","","","1.54184","CuKα","","0.1144","0.076","","","0.1978","0.2121","","","","","","1.054","","","","has coordinates","306302","2026-06-05","18:31:53",""
"1576826","13.3226","0.0017","23.431","0.003","26.702","0.004","90","","93.581","0.005","90","","8319","2","100.15","","100.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C53 H62 Au8 B20 Cl2 P4 S4 -","- C53 H62 Au8 B20 Cl2 P4 S4 -","- C212 H248 Au32 B80 Cl8 P16 S16 -","4","1","","Xie, Hao-Hui; Yang, Wen-Jing; Li, Ze-Jian; Ren, Ying-Zheng; Si, Nian; Liu, Peng-Fei; Tang, Yong-Xing; Zhang, Wen-Chao; Cui, Peng-Fei","Directing structural transformation in gold(i)-carborane nanoclusters to unlock ultrafast hypergolic ignition.","Chemical science","2026","17","17","8795","8802","10.1039/d6sc01070a","","","0.71073","MoKα","","0.0925","0.065","","","0.1688","0.1901","","","","","","1.049","","","","has coordinates","306302","2026-06-05","18:31:53",""
"1576827","13.3714","0.0005","23.3899","0.0009","26.9799","0.0009","90","","93.7","0.001","90","","8420.5","0.5","100.15","","100.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H60 Au8 B20 P4 S4 -","- C52 H60 Au8 B20 P4 S4 -","- C208 H240 Au32 B80 P16 S16 -","4","1","","Xie, Hao-Hui; Yang, Wen-Jing; Li, Ze-Jian; Ren, Ying-Zheng; Si, Nian; Liu, Peng-Fei; Tang, Yong-Xing; Zhang, Wen-Chao; Cui, Peng-Fei","Directing structural transformation in gold(i)-carborane nanoclusters to unlock ultrafast hypergolic ignition.","Chemical science","2026","17","17","8795","8802","10.1039/d6sc01070a","","","1.54184","CuKα","","0.0549","0.0386","","","0.1016","0.1153","","","","","","1.099","","","","has coordinates","306302","2026-06-05","18:31:53",""
"1576828","19.8665","0.0008","21.7317","0.0009","27.7325","0.0012","94.188","0.002","98.263","0.002","105.822","0.002","11320.4","0.8","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C156 H180 Au18 B60 Cl2 P12 S8 -","- C156 H180 Au18 B60 Cl2 P12 S8 -","- C312 H360 Au36 B120 Cl4 P24 S16 -","2","1","","Xie, Hao-Hui; Yang, Wen-Jing; Li, Ze-Jian; Ren, Ying-Zheng; Si, Nian; Liu, Peng-Fei; Tang, Yong-Xing; Zhang, Wen-Chao; Cui, Peng-Fei","Directing structural transformation in gold(i)-carborane nanoclusters to unlock ultrafast hypergolic ignition.","Chemical science","2026","17","17","8795","8802","10.1039/d6sc01070a","","","1.54184","CuKα","","0.127","0.0946","","","0.2633","0.2808","","","","","","1.097","","","","has coordinates","306302","2026-06-05","18:31:53",""
"1576829","13.314","0.005","23.337","0.01","26.678","0.01","90","","93.51","0.015","90","","8274","6","100.15","","100.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H60 Au8 B20 P4 S4 -","- C52 H60 Au8 B20 P4 S4 -","- C208 H240 Au32 B80 P16 S16 -","4","1","","Xie, Hao-Hui; Yang, Wen-Jing; Li, Ze-Jian; Ren, Ying-Zheng; Si, Nian; Liu, Peng-Fei; Tang, Yong-Xing; Zhang, Wen-Chao; Cui, Peng-Fei","Directing structural transformation in gold(i)-carborane nanoclusters to unlock ultrafast hypergolic ignition.","Chemical science","2026","17","17","8795","8802","10.1039/d6sc01070a","","","0.71073","MoKα","","0.1091","0.0807","","","0.211","0.2428","","","","","","1.045","","","","has coordinates","306302","2026-06-05","18:31:53",""
"1576830","25.395","0.003","11.2877","0.0013","22.043","0.002","90","","98.439","0.004","90","","6250.2","1.2","100.15","","100.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C52 H60 Au2 B18 P4 -","- C52 H60 Au2 B18 P4 -","- C208 H240 Au8 B72 P16 -","4","0.5","","Xie, Hao-Hui; Yang, Wen-Jing; Li, Ze-Jian; Ren, Ying-Zheng; Si, Nian; Liu, Peng-Fei; Tang, Yong-Xing; Zhang, Wen-Chao; Cui, Peng-Fei","Directing structural transformation in gold(i)-carborane nanoclusters to unlock ultrafast hypergolic ignition.","Chemical science","2026","17","17","8795","8802","10.1039/d6sc01070a","","","0.71073","MoKα","","0.128","0.0747","","","0.172","0.2257","","","","","","1.058","","","","has coordinates,has disorder","306302","2026-06-05","18:31:53",""
"1576831","14.7271","0.00014","19.29125","0.00017","11.45396","0.00011","90","","109.672","0.0011","90","","3064.18","0.05","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C29 H29 N9 O S2 Zn -","- C29 H29 N9 O S2 Zn -","- C116 H116 N36 O4 S8 Zn4 -","4","0.5","","Shrivastav, Akash; Tiwari, Raman Kumar; Yadav, Mangal S.; Bhattacharya, Subrato","Cis-thiolate bridged heterobimetallic complexes as efficient catalysts for glycosyl triazole synthesis","Catalysis Science & Technology","2026","16","5","1595","1609","10.1039/D5CY01152C","","x-ray","1.54184","CuKα","","0.0264","0.0249","","","0.0718","0.0728","","","","","","1.084","","","","has coordinates,has disorder","305002","2026-03-09","22:48:50",""
"1576832","13.4767","0.0001","16.1583","0.0002","17.9322","0.0003","102.508","0.001","102.566","0.001","102.879","0.001","3568.42","0.09","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C71 H73 Ag N12 Ni O6 P2 S2 -","- C68 H66 Ag N10 Ni O2 P2 S2 -","- C136 H132 Ag2 N20 Ni2 O4 P4 S4 -","2","1","","Shrivastav, Akash; Tiwari, Raman Kumar; Yadav, Mangal S.; Bhattacharya, Subrato","Cis-thiolate bridged heterobimetallic complexes as efficient catalysts for glycosyl triazole synthesis","Catalysis Science & Technology","2026","16","5","1595","1609","10.1039/D5CY01152C","","","1.54184","CuKα","","0.0345","0.03","","","0.0806","0.0828","","","","","","1.066","","","","has coordinates,has disorder","305002","2026-03-09","22:48:52",""
"1576833","13.5061","0.0002","16.2043","0.0003","18.0194","0.0003","102.564","0.001","102.759","0.001","102.673","0.001","3603","0.11","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C71 H73 Ag N12 O6 P2 S2 Zn -","- C68 H66 Ag N10 O2 P2 S2 Zn -","- C136 H132 Ag2 N20 O4 P4 S4 Zn2 -","2","1","","Shrivastav, Akash; Tiwari, Raman Kumar; Yadav, Mangal S.; Bhattacharya, Subrato","Cis-thiolate bridged heterobimetallic complexes as efficient catalysts for glycosyl triazole synthesis","Catalysis Science & Technology","2026","16","5","1595","1609","10.1039/D5CY01152C","","x-ray","1.54184","CuKα","","0.0321","0.029","","","0.0805","0.0823","","","","","","1.063","","","","has coordinates,has disorder","305002","2026-03-09","22:48:52",""
"1576834","13.3546","0.0001","20.0062","0.0002","21.7751","0.0002","90","","90","","90","","5817.76","0.09","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C29 H29 N9 Ni O S2 -","- C29 H29 N9 Ni O S2 -","- C232 H232 N72 Ni8 O8 S16 -","8","1","","Shrivastav, Akash; Tiwari, Raman Kumar; Yadav, Mangal S.; Bhattacharya, Subrato","Cis-thiolate bridged heterobimetallic complexes as efficient catalysts for glycosyl triazole synthesis","Catalysis Science & Technology","2026","16","5","1595","1609","10.1039/D5CY01152C","","x-ray","1.54184","CuKα","","0.0478","0.0393","","","0.0852","0.089","","","","","","1.088","","","","has coordinates","305002","2026-03-09","22:48:52",""
"1576835","19.9114","0.0002","17.0586","0.0002","38.7226","0.0004","90","","96.291","0.001","90","","13073.3","0.2","293","2","293","2","","","","","","","","9","I 1 2/a 1","-I 2ya","15","","","","- C63 H53 Cl3 Cu N9 Ni O3.14 P2 S2 -","- C63 H53 Cl3 Cu N9 Ni O3.14 P2 S2 -","- C504 H424 Cl24 Cu8 N72 Ni8 O25.12 P16 S16 -","8","1","","Shrivastav, Akash; Tiwari, Raman Kumar; Yadav, Mangal S.; Bhattacharya, Subrato","Cis-thiolate bridged heterobimetallic complexes as efficient catalysts for glycosyl triazole synthesis","Catalysis Science & Technology","2026","16","5","1595","1609","10.1039/D5CY01152C","","x-ray","1.54184","CuKα","","0.058","0.0491","","","0.1341","0.1406","","","","","","1.028","","","","has coordinates,has disorder","305002","2026-03-09","22:48:52",""
"1576836","11.8657","0.0004","13.8123","0.0005","16.9216","0.0006","96.711","0.001","103.789","0.001","105.779","0.001","2542.46","0.16","90","","90","","","","","","","","","8","P -1","-P 1","2","","","","- C32.75 H40.5 Cl1.5 Cu5 F6 N2 O8 S3 -","- C32 H39 Cu5 F6 N2 O8 S3 -","- C64 H78 Cu10 F12 N4 O16 S6 -","2","1","","Irie, Tsukasa; Nakatani, Riki; K S, Sreelakshmi; Sasaki, Kohki; Nozaki, Mika; Kondo, Ayumu; Kawawaki, Tokuhisa; Das, Saikat; Negishi, Yuichi","Reticular assembly of 1D and 2D Cu<sub>10</sub> cluster-assembled materials as a recyclable luminescent probe for highly sensitive creatinine detection.","Nanoscale","2026","18","14","7789","7801","10.1039/d5nr05249a","","","0.71073","MoKα","","0.0552","0.052","","","0.1675","0.1707","","","","","","1.055","","","","has coordinates,has disorder","305836","2026-05-05","09:26:50",""
"1576837","14.162","0.0005","12.3712","0.0006","23.7398","0.0009","90","","99.157","0.004","90","","4106.2","0.3","90","","90","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30.52 H38.17 Cu5 F6 N2.13 O4.13 S4 -","- C30 H37 Cu5 F6 N2 O4 S4 -","- C120 H148 Cu20 F24 N8 O16 S16 -","4","1","","Irie, Tsukasa; Nakatani, Riki; K S, Sreelakshmi; Sasaki, Kohki; Nozaki, Mika; Kondo, Ayumu; Kawawaki, Tokuhisa; Das, Saikat; Negishi, Yuichi","Reticular assembly of 1D and 2D Cu<sub>10</sub> cluster-assembled materials as a recyclable luminescent probe for highly sensitive creatinine detection.","Nanoscale","2026","18","14","7789","7801","10.1039/d5nr05249a","","x-ray","1.54184","CuKα","","0.181","0.0955","","","0.1736","0.2199","","","","","","0.944","","","","has coordinates","305836","2026-05-05","09:26:50",""
"1576838","5.7353","0.0004","18.3597","0.0018","19.4042","0.0015","90","","90","","90","","2043.2","0.3","99.98","0.1","99.98","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H23 F3 N2 O3 -","- C21 H23 F3 N2 O3 -","- C84 H92 F12 N8 O12 -","4","1","","Popoola, Precious I. A.; Allam, Thomas L.; Lilley, Rebecca J.; Manwani, Chandni; Keers, Olivia B.; Tan, Junyang; Yang, Kylie; Long, Yifan; Clark, Ewan R.; White, Lisa J.; Hilton, Kira L. F.; Rankin, Jennifer; Baker, Jennifer; Bennett, Charlotte; Wilson, Hollie B.; Morton, Evelyn R.; Keskküla, Alvaro; Martin, Bethany; O'Connor, Christopher; Sutton, J. Mark; Hind, Charlotte K.; Garrett, Michelle D.; Haynes, Cally J. E.; Hiscock, Jennifer R.","Amino acid appended supramolecular self-associating amphiphiles demonstrate dual activity against both MRSA and ovarian cancer.","Chemical science","2026","17","17","8567","8579","10.1039/d5sc03376d","","x-ray","1.54184","CuKα","","0.0937","0.0717","","","0.1733","0.1927","","","","","","1.075","","","","has coordinates","306298","2026-06-05","18:31:23",""
"1576839","15.47","0.004","18.843","0.006","10.856","0.003","90","","90.99","0.03","90","","3164.1","1.6","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H52 F3 N3 O3 -","- C30 H52 F3 N3 O3 -","- C120 H208 F12 N12 O12 -","4","1","","Popoola, Precious I. A.; Allam, Thomas L.; Lilley, Rebecca J.; Manwani, Chandni; Keers, Olivia B.; Tan, Junyang; Yang, Kylie; Long, Yifan; Clark, Ewan R.; White, Lisa J.; Hilton, Kira L. F.; Rankin, Jennifer; Baker, Jennifer; Bennett, Charlotte; Wilson, Hollie B.; Morton, Evelyn R.; Keskküla, Alvaro; Martin, Bethany; O'Connor, Christopher; Sutton, J. Mark; Hind, Charlotte K.; Garrett, Michelle D.; Haynes, Cally J. E.; Hiscock, Jennifer R.","Amino acid appended supramolecular self-associating amphiphiles demonstrate dual activity against both MRSA and ovarian cancer.","Chemical science","2026","17","17","8567","8579","10.1039/d5sc03376d","","x-ray","1.54184","CuKα","","0.3219","0.1757","","","0.3783","0.4984","","","","","","0.978","","","","has coordinates","306298","2026-06-05","18:31:23",""
"1576840","5.5068","0.0004","18.3998","0.0017","18.8406","0.0014","90","","90","","90","","1909","0.3","99.98","0.1","99.98","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H25 F3 N2 O3 -","- C18 H25 F3 N2 O3 -","- C72 H100 F12 N8 O12 -","4","1","","Popoola, Precious I. A.; Allam, Thomas L.; Lilley, Rebecca J.; Manwani, Chandni; Keers, Olivia B.; Tan, Junyang; Yang, Kylie; Long, Yifan; Clark, Ewan R.; White, Lisa J.; Hilton, Kira L. F.; Rankin, Jennifer; Baker, Jennifer; Bennett, Charlotte; Wilson, Hollie B.; Morton, Evelyn R.; Keskküla, Alvaro; Martin, Bethany; O'Connor, Christopher; Sutton, J. Mark; Hind, Charlotte K.; Garrett, Michelle D.; Haynes, Cally J. E.; Hiscock, Jennifer R.","Amino acid appended supramolecular self-associating amphiphiles demonstrate dual activity against both MRSA and ovarian cancer.","Chemical science","2026","17","17","8567","8579","10.1039/d5sc03376d","","x-ray","1.54184","CuKα","","0.0972","0.0663","","","0.1327","0.1531","","","","","","1.075","","","","has coordinates","306298","2026-06-05","18:31:23",""
"1576841","5.7453","0.0006","18.277","0.003","19.3974","0.0016","90","","90","","90","","2036.9","0.4","99.97","0.11","99.97","0.11","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H23 F3 N2 O3 -","- C21 H23 F3 N2 O3 -","- C84 H92 F12 N8 O12 -","4","1","","Popoola, Precious I. A.; Allam, Thomas L.; Lilley, Rebecca J.; Manwani, Chandni; Keers, Olivia B.; Tan, Junyang; Yang, Kylie; Long, Yifan; Clark, Ewan R.; White, Lisa J.; Hilton, Kira L. F.; Rankin, Jennifer; Baker, Jennifer; Bennett, Charlotte; Wilson, Hollie B.; Morton, Evelyn R.; Keskküla, Alvaro; Martin, Bethany; O'Connor, Christopher; Sutton, J. Mark; Hind, Charlotte K.; Garrett, Michelle D.; Haynes, Cally J. E.; Hiscock, Jennifer R.","Amino acid appended supramolecular self-associating amphiphiles demonstrate dual activity against both MRSA and ovarian cancer.","Chemical science","2026","17","17","8567","8579","10.1039/d5sc03376d","","x-ray","1.54184","CuKα","","0.1347","0.1056","","","0.2508","0.3038","","","","","","1.037","","","","has coordinates","306298","2026-06-05","18:31:23",""
"1576842","5.5098","0.0007","18.427","0.004","18.838","0.003","90","","90","","90","","1912.6","0.6","99.98","0.11","99.98","0.11","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H25 F3 N2 O3 -","- C18 H25 F3 N2 O3 -","- C72 H100 F12 N8 O12 -","4","1","","Popoola, Precious I. A.; Allam, Thomas L.; Lilley, Rebecca J.; Manwani, Chandni; Keers, Olivia B.; Tan, Junyang; Yang, Kylie; Long, Yifan; Clark, Ewan R.; White, Lisa J.; Hilton, Kira L. F.; Rankin, Jennifer; Baker, Jennifer; Bennett, Charlotte; Wilson, Hollie B.; Morton, Evelyn R.; Keskküla, Alvaro; Martin, Bethany; O'Connor, Christopher; Sutton, J. Mark; Hind, Charlotte K.; Garrett, Michelle D.; Haynes, Cally J. E.; Hiscock, Jennifer R.","Amino acid appended supramolecular self-associating amphiphiles demonstrate dual activity against both MRSA and ovarian cancer.","Chemical science","2026","17","17","8567","8579","10.1039/d5sc03376d","","x-ray","1.54184","CuKα","","0.1012","0.0591","","","0.1147","0.1361","","","","","","0.958","","","","has coordinates","306298","2026-06-05","18:31:23",""
"1576843","9.602","0.0019","8.005","0.0016","12.364","0.003","90","","90.43","0.03","90","","950.3","0.4","100","","100","","","","101.3","","","","","5","P 1 21/n 1","-P 2yn","14","","PdOF-1(B)","","- C7 H10 O3.5 Pd S1.5 -","- C6 H7 O3 Pd S -","- C24 H28 O12 Pd4 S4 -","4","1","","Jung, Jong-Yeong; Kim, Jaewook; Gong, Jintaek; Kim, Dongwook; Lee, Hee-Seung; Song, Hyunjoon","Two-dimensional Pd-C bonded organometallic framework with dynamic packing transformations.","Chemical science","2026","17","17","8726","8732","10.1039/d5sc08775a","","x-ray","0.7","monochromaticsynchrotronradiation","","0.1439","0.0794","","","0.2024","0.2396","","","","","","0.829","","","","has coordinates","306301","2026-06-05","18:31:40",""
"1576844","20.1486","0.0008","7.9481","0.0003","15.6495","0.0006","90","","105.272","0.0013","90","","2417.66","0.16","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H13 O4 Pd S2 -","- C8 H13 O4 Pd S2 -","- C64 H104 O32 Pd8 S16 -","8","1","","Jung, Jong-Yeong; Kim, Jaewook; Gong, Jintaek; Kim, Dongwook; Lee, Hee-Seung; Song, Hyunjoon","Two-dimensional Pd-C bonded organometallic framework with dynamic packing transformations.","Chemical science","2026","17","17","8726","8732","10.1039/d5sc08775a","","","0.71073","MoKα","","0.0339","0.0284","","","0.0525","0.0544","","","","","","1.137","","","","has coordinates,has disorder","306301","2026-06-05","18:31:40",""
"1576845","9.1818","0.0004","10.1332","0.0004","11.5335","0.0005","106.943","0.001","106.269","0.002","97.756","0.001","957.6","0.07","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H21 N O S -","- C23 H21 N O S -","- C46 H42 N2 O2 S2 -","2","1","","Xu, Tiantian; Hong, Ran; Lu, Tong; Zhu, Denghua; Yu, Jiong; Wang, Min; Li, Pinhua","Photoinduced intramolecular S-α-C(sp<sup>3</sup>)-H functionalization enabled by an electron donor-acceptor complex-Mediated radical relay.","Chemical science","2026","17","17","8683","8691","10.1039/d6sc01281g","","","0.71073","MoKα","","0.0521","0.0465","","","0.1237","0.1289","","","","","","1.023","","","","has coordinates","306297","2026-06-05","18:31:19",""
"1576846","13.634","0.0007","17.5899","0.001","13.8373","0.0008","90","","90","","90","","3318.5","0.3","123.15","","123.15","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C17 H30 B11 Br6 N3 Ru -","- C17 H30 B11 Br6 N3 Ru -","- C68 H120 B44 Br24 N12 Ru4 -","4","1","","Takayama, Orie; Toriumi, Naoyuki; Hanaoka, Kenjiro; Uchiyama, Masanobu","Near-infrared (NIR)-responsive activation of Ru-benziphthalocyanine complexes <i>via</i> singlet-triplet transition.","Chemical science","2026","17","19","9600","9608","10.1039/d5sc09646d","","x-ray","1.54184","CuKα","","0.1035","0.0728","","","0.1972","0.2221","","","","","","1.028","","","","has coordinates","306309","2026-06-05","18:34:06",""
"1576847","14.5575","0.0002","37.1162","0.0005","35.7361","0.0005","90","","96.697","0.002","90","","19177.1","0.5","123.15","","123.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C180 H172 B11 Br6 N14 O13 Ru2 -","- C180 H172 B11 Br6 N14 O13 Ru2 -","- C720 H688 B44 Br24 N56 O52 Ru8 -","4","1","","Takayama, Orie; Toriumi, Naoyuki; Hanaoka, Kenjiro; Uchiyama, Masanobu","Near-infrared (NIR)-responsive activation of Ru-benziphthalocyanine complexes <i>via</i> singlet-triplet transition.","Chemical science","2026","17","19","9600","9608","10.1039/d5sc09646d","","x-ray","1.54184","CuKα","","0.1896","0.1236","","","0.3336","0.3833","","","","","","1.227","","","","has coordinates,has disorder","306309","2026-06-05","18:34:06",""
"1576848","12.2377","0.0006","8.7867","0.0004","8.6139","0.0004","90","","98.546","0.004","90","","915.96","0.08","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","SEA2_PbI4","","- C4 H16 I4 N2 Pb Se2 -","- C4 H16 I4 N2 Pb Se2 -","- C8 H32 I8 N4 Pb2 Se4 -","2","0.5","","Li, Wenxuan; Liao, Lihao; Yao, Guoying; Liu, Jialong; Zhang, Yilan; Li, Jingpeng; Qiu, Wangzhen; Zeng, Tao; Zhao, Xiaodan; Yang, Zhenyu","Selenol-containing two-dimensional perovskite promotes visible-light-driven selective reduction of unsaturated ketones.","Chemical science","2026","17","18","9168","9177","10.1039/d5sc09706a","","x-ray","0.71073","MoKα","","0.0266","0.0209","","","0.0425","0.0441","","","","","","1.075","","","","has coordinates","306343","2026-06-05","18:39:17",""
"1576849","8.87","0.006","24.954","0.017","18.197","0.013","90","","90","","90","","4028","5","295","2","295","","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C38 H34 Br4 Mn O2 P2 -","- C38 H34 Br4 Mn O2 P2 -","- C152 H136 Br16 Mn4 O8 P8 -","4","0.5","","Li, Jing; Wei, Jianwu; Luo, Qiulian; Pang, Wei; Liu, Hongming; Chen, Peican; Zhou, Liya; Zhang, Jin Zhong; Luo, Binbin; Pang, Qi","Chiral manganese halide isomers: decoding the spatial stacking effect on second-harmonic generation circular dichroism.","Chemical science","2026","17","18","9061","9071","10.1039/d5sc09866a","","","0.71073","MoKα","","0.1401","0.0647","","","0.1564","0.18","","","","","","1.03","","","","has coordinates","306350","2026-06-05","18:40:24",""
"1576850","12.3199","0.0006","11.247","0.0004","14.7379","0.0006","90","","106.67","0.002","90","","1956.29","0.14","301","","301","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C38 H34 Br4 Mn O2 P2 -","- C38 H34 Br4 Mn O2 P2 -","- C76 H68 Br8 Mn2 O4 P4 -","2","1","","Li, Jing; Wei, Jianwu; Luo, Qiulian; Pang, Wei; Liu, Hongming; Chen, Peican; Zhou, Liya; Zhang, Jin Zhong; Luo, Binbin; Pang, Qi","Chiral manganese halide isomers: decoding the spatial stacking effect on second-harmonic generation circular dichroism.","Chemical science","2026","17","18","9061","9071","10.1039/d5sc09866a","","","0.71073","MoKα","","0.0759","0.047","","","0.1016","0.118","","","","","","1.049","","","","has coordinates","306350","2026-06-05","18:40:24",""
"1576851","8.8222","0.0004","24.8809","0.001","18.1166","0.0007","90","","90","","90","","3976.7","0.3","301.44","0.12","301.44","0.12","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C38 H34 Br4 Mn O2 P2 -","- C38 H34 Br4 Mn O2 P2 -","- C152 H136 Br16 Mn4 O8 P8 -","4","0.5","","Li, Jing; Wei, Jianwu; Luo, Qiulian; Pang, Wei; Liu, Hongming; Chen, Peican; Zhou, Liya; Zhang, Jin Zhong; Luo, Binbin; Pang, Qi","Chiral manganese halide isomers: decoding the spatial stacking effect on second-harmonic generation circular dichroism.","Chemical science","2026","17","18","9061","9071","10.1039/d5sc09866a","","x-ray","0.71073","MoKα","","0.0505","0.0397","","","0.1065","0.1108","","","","","","1.028","","","","has coordinates","306350","2026-06-05","18:40:24",""
"1576852","12.3302","0.0011","11.274","0.0009","14.772","0.0014","90","","106.737","0.003","90","","1966.5","0.3","303","","303","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C38 H34 Br4 Mn O2 P2 -","- C38 H34 Br4 Mn O2 P2 -","- C76 H68 Br8 Mn2 O4 P4 -","2","1","","Li, Jing; Wei, Jianwu; Luo, Qiulian; Pang, Wei; Liu, Hongming; Chen, Peican; Zhou, Liya; Zhang, Jin Zhong; Luo, Binbin; Pang, Qi","Chiral manganese halide isomers: decoding the spatial stacking effect on second-harmonic generation circular dichroism.","Chemical science","2026","17","18","9061","9071","10.1039/d5sc09866a","","","0.71073","MoKα","","0.072","0.044","","","0.0926","0.1025","","","","","","1.02","","","","has coordinates","306350","2026-06-05","18:40:24",""
"1576853","7.2267","0.0012","11.976","0.002","14.973","0.003","90","","90","","90","","1295.9","0.4","100.4","","100.4","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H17 Br O -","- C14 H17 Br O -","- C56 H68 Br4 O4 -","4","1","","Cataffo, Andrea; García-Padilla, Eduardo; Escofet, Imma; Fincias, Nicolás; Arnanz, Anna; Zuccarello, Giuseppe; Tian, Guilong; Cai, Luyu; Khorasanidarehdor, Fereshteh; Maseras, Feliu; Echavarren, Antonio M.","Enantioselective cyclization of bromoenynes: mechanistic understanding of gold(i)-catalyzed alkoxycyclizations.","Chemical science","2026","17","10","5005","5015","10.1039/d5sc09023g","","x-ray","0.71073","MoKα","","0.0298","0.0249","","","0.0634","0.0653","","","","","","1.042","","","","has coordinates","305038","2026-03-11","23:12:14",""
"1576854","25.415","0.0005","9.4489","0.00015","21.1616","0.0003","90","","110.432","0.002","90","","4762.11","0.15","140","0.1","140","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H23 F3 N2 O5 -","- C27 H23 F3 N2 O5 -","- C216 H184 F24 N16 O40 -","8","1","","Brownsey, Duncan K.; Schoepfer, Alexandre A.; Waser, Jerome","Stereoselective palladium-catalyzed carboetherification of cyclopropenes <i>via</i> a tethering strategy.","Chemical science","2026","17","10","5072","5078","10.1039/d5sc09351a","","x-ray","1.54184","CuKα","","0.0514","0.0413","","","0.1062","0.1121","","","","","","1.05","","","","has coordinates","305039","2026-03-11","23:12:37",""
"1576855","14.77504","0.0001","24.62736","0.00017","11.15008","0.00006","90","","90.3773","0.0006","90","","4057.09","0.04","140","0.1","140","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H17 F6 N O3 -","- C21 H17 F6 N O3 -","- C168 H136 F48 N8 O24 -","8","2","","Brownsey, Duncan K.; Schoepfer, Alexandre A.; Waser, Jerome","Stereoselective palladium-catalyzed carboetherification of cyclopropenes <i>via</i> a tethering strategy.","Chemical science","2026","17","10","5072","5078","10.1039/d5sc09351a","","x-ray","1.54184","CuKα","","0.0336","0.0304","","","0.0768","0.0786","","","","","","1.013","","","","has coordinates","305039","2026-03-11","23:12:38",""
"1576856","22.76","0.02","3.955","0.004","22.51","0.02","90","","117.86","0.04","90","","1791","3","120","2","120","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","Diphenylbenzil","1,2-di([1,1'-biphenyl]-4-yl)ethane-1,2-dione","","- C13 H9 O -","- C13 H9 O -","- C104 H72 O8 -","8","1","","Dutta, Arnab; Singh, Utkarsh; Pati, Swapan K.; Maitra, Uday","""Impurity""-driven tunable organic room temperature phosphorescence <i>via</i> conformational regulation in multi host/guest systems.","Chemical science","2026","17","10","5016","5028","10.1039/d5sc08129g","","","0.71073","MoKα","","0.0566","0.051","","","0.1194","0.123","","","","","","1.118","","","","has coordinates","305040","2026-03-11","23:13:01",""
"1576857","22.8524","0.0018","4.0599","0.0003","22.5935","0.0018","90","","118.082","0.003","90","","1849.4","0.3","298","2","298","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","Diphenylbenzil","1,2-di([1,1'-biphenyl]-4-yl)ethane-1,2-dione","","- C13 H9 O -","- C13 H9 O -","- C104 H72 O8 -","8","1","","Dutta, Arnab; Singh, Utkarsh; Pati, Swapan K.; Maitra, Uday","""Impurity""-driven tunable organic room temperature phosphorescence <i>via</i> conformational regulation in multi host/guest systems.","Chemical science","2026","17","10","5016","5028","10.1039/d5sc08129g","","","0.71073","MoKα","","0.0698","0.0579","","","0.1299","0.1364","","","","","","1.133","","","","has coordinates","305040","2026-03-11","23:13:02",""
"1576858","17.3171","0.0004","9.6215","0.00015","16.477","0.0004","90","","109.052","0.002","90","","2594.96","0.1","100","0.1","100","0.1","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C68 H48 Cl4 O2 -","- C68 H48 Cl4 O2 -","- C136 H96 Cl8 O4 -","2","1","","He, Jing; Liu, Wenlong; Wu, Siwei; Xie, Qi; Lian, Zhe; Li, Xiaonan; Guo, Shengzhu; Wang, Ying; Xu, Xinjun; Jiang, Hua","Pyrene-embedded nanohoops: synthesis and dopant engineering for organic solar cells with an enhanced efficiency of 19.96.","Chemical science","2026","17","10","5192","5200","10.1039/d5sc06584d","","x-ray","1.54184","CuKα","","0.0836","0.0786","","","0.2152","0.222","","","","","","1.06","","","","has coordinates,has disorder","305041","2026-03-11","23:13:23",""
"1576859","33.5055","0.0011","10.023","0.0003","14.784","0.0004","90","","96.225","0.003","90","","4935.6","0.3","100","0.1","100","0.1","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C69 H50 Cl2 O4 -","- C69 H50 Cl2 O4 -","- C276 H200 Cl8 O16 -","4","1","","He, Jing; Liu, Wenlong; Wu, Siwei; Xie, Qi; Lian, Zhe; Li, Xiaonan; Guo, Shengzhu; Wang, Ying; Xu, Xinjun; Jiang, Hua","Pyrene-embedded nanohoops: synthesis and dopant engineering for organic solar cells with an enhanced efficiency of 19.96.","Chemical science","2026","17","10","5192","5200","10.1039/d5sc06584d","","x-ray","1.54184","CuKα","","0.0693","0.0639","","","0.1658","0.1721","","","","","","1.042","","","","has coordinates,has disorder","305041","2026-03-11","23:13:24",""
"1576860","22.0314","0.0003","20.8413","0.0003","8.4416","0.0001","90","","90","","90","","3876.07","0.09","100","0.1","100","0.1","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C20 H24 N2 Ni O2 -","- C20 H24 N2 Ni O2 -","- C160 H192 N16 Ni8 O16 -","8","0.5","","Lentelink, Niklas J.; Pânzar, Peter M F; Rowlinson, Nathalie A. V.; Morandi, Bill","Ring-opening decarbonylative C(sp<sup>3</sup>)-C(sp<sup>3</sup>) cross-electrophile coupling of cyclic imides with unactivated alkyl chlorides.","Chemical science","2026","17","17","8479","8485","10.1039/d6sc00815a","","x-ray","1.54184","CuKα","","0.0358","0.0337","","","0.0889","0.0906","","","","","","1.109","","","","has coordinates","306304","2026-06-05","18:32:42",""
"1576861","10.3948","0.0002","12.1968","0.0002","20.7449","0.0004","90","","99.606","0.002","90","","2593.23","0.08","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H37 N3 Ni O3 -","- C26 H37 N3 Ni O3 -","- C104 H148 N12 Ni4 O12 -","4","1","","Lentelink, Niklas J.; Pânzar, Peter M F; Rowlinson, Nathalie A. V.; Morandi, Bill","Ring-opening decarbonylative C(sp<sup>3</sup>)-C(sp<sup>3</sup>) cross-electrophile coupling of cyclic imides with unactivated alkyl chlorides.","Chemical science","2026","17","17","8479","8485","10.1039/d6sc00815a","","x-ray","1.54184","CuKα","","0.0614","0.0446","","","0.1139","0.1234","","","","","","1.023","","","","has coordinates","306304","2026-06-05","18:32:42",""
"1576862","10.975","0.002","13.652","0.004","14.195","0.004","98.33","0.017","105.443","0.014","109.025","0.015","1874.4","0.9","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C36 H66 Bi P3 -","- C36 H66 Bi P3 -","- C72 H132 Bi2 P6 -","2","1","","Reith, Sascha; Oberdorf, Kai; Martínez, Sebstián; Landgraf, Jann B.; Ahrens, Alena; Jakobi, Felix; Xie, Xiulan; Lichtenberg, Crispin","The bismuth phosphanides Bi(PR<sub>2</sub>)<sub>3</sub>: sources of phosphanyl radicals, P-inversion, and reversible olefin insertion.","Chemical science","2026","17","10","5183","5191","10.1039/d5sc07240a","","","0.71073","MoKα","","0.0474","0.0427","","","0.0986","0.1002","","","","","","1.154","","","","has coordinates,has disorder","305043","2026-03-11","23:14:30",""
"1576863","10.733","0.002","16.156","0.005","19.97","0.006","90","","100.112","0.013","90","","3409.1","1.6","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H57 Bi F3 P3 -","- C27 H57 Bi F3 P3 -","- C108 H228 Bi4 F12 P12 -","4","1","","Reith, Sascha; Oberdorf, Kai; Martínez, Sebstián; Landgraf, Jann B.; Ahrens, Alena; Jakobi, Felix; Xie, Xiulan; Lichtenberg, Crispin","The bismuth phosphanides Bi(PR<sub>2</sub>)<sub>3</sub>: sources of phosphanyl radicals, P-inversion, and reversible olefin insertion.","Chemical science","2026","17","10","5183","5191","10.1039/d5sc07240a","","","0.71073","MoKα","","0.0484","0.0377","","","0.0864","0.0908","","","","","","1.087","","","","has coordinates","305043","2026-03-11","23:14:31",""
"1576864","8.8768","0.0005","18.1553","0.0009","13.2912","0.0006","90","","90.053","0.002","90","","2142.02","0.19","278.15","","278.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H40 P2 -","- C20 H40 P2 -","- C80 H160 P8 -","4","1","","Reith, Sascha; Oberdorf, Kai; Martínez, Sebstián; Landgraf, Jann B.; Ahrens, Alena; Jakobi, Felix; Xie, Xiulan; Lichtenberg, Crispin","The bismuth phosphanides Bi(PR<sub>2</sub>)<sub>3</sub>: sources of phosphanyl radicals, P-inversion, and reversible olefin insertion.","Chemical science","2026","17","10","5183","5191","10.1039/d5sc07240a","","","0.71073","MoKα","","0.0547","0.0429","","","0.0999","0.105","","","","","","1.076","","","","has coordinates","305043","2026-03-11","23:14:31",""
"1576865","11.5915","0.0003","16.9444","0.0004","16.3179","0.0005","90","","108.02","0.003","90","","3047.8","0.15","99.9","0.5","99.9","0.5","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H54 Bi P3 -","- C24 H54 Bi P3 -","- C96 H216 Bi4 P12 -","4","1","","Reith, Sascha; Oberdorf, Kai; Martínez, Sebstián; Landgraf, Jann B.; Ahrens, Alena; Jakobi, Felix; Xie, Xiulan; Lichtenberg, Crispin","The bismuth phosphanides Bi(PR<sub>2</sub>)<sub>3</sub>: sources of phosphanyl radicals, P-inversion, and reversible olefin insertion.","Chemical science","2026","17","10","5183","5191","10.1039/d5sc07240a","","x-ray","0.71073","MoKα","","0.049","0.0323","","","0.0704","0.0743","","","","","","1.059","","","","has coordinates,has disorder","305043","2026-03-11","23:14:31",""
"1576866","10.6674","0.0018","11.2245","0.0018","16.111","0.003","105.555","0.01","90.969","0.01","115.023","0.009","1665.1","0.5","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C30 H60 Bi P3 -","- C30 H60 Bi P3 -","- C60 H120 Bi2 P6 -","2","1","","Reith, Sascha; Oberdorf, Kai; Martínez, Sebstián; Landgraf, Jann B.; Ahrens, Alena; Jakobi, Felix; Xie, Xiulan; Lichtenberg, Crispin","The bismuth phosphanides Bi(PR<sub>2</sub>)<sub>3</sub>: sources of phosphanyl radicals, P-inversion, and reversible olefin insertion.","Chemical science","2026","17","10","5183","5191","10.1039/d5sc07240a","","","0.71073","MoKα","","0.0175","0.0156","","","0.0312","0.0317","","","","","","1.069","","","","has coordinates","305043","2026-03-11","23:14:31",""
"1576867","8.7077","0.0004","12.9666","0.0006","14.9308","0.0007","105.127","0.002","90.987","0.002","95.913","0.002","1617.04","0.13","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C17 H36 P2 S2 -","- C17 H36 P2 S2 -","- C51 H108 P6 S6 -","3","1.5","","Reith, Sascha; Oberdorf, Kai; Martínez, Sebstián; Landgraf, Jann B.; Ahrens, Alena; Jakobi, Felix; Xie, Xiulan; Lichtenberg, Crispin","The bismuth phosphanides Bi(PR<sub>2</sub>)<sub>3</sub>: sources of phosphanyl radicals, P-inversion, and reversible olefin insertion.","Chemical science","2026","17","10","5183","5191","10.1039/d5sc07240a","","","0.71073","MoKα","","0.0553","0.0533","","","0.12","0.121","","","","","","1.19","","","","has coordinates,has disorder","305043","2026-03-11","23:14:32",""
"1576868","7.1892","0.0001","16.6927","0.0004","17.5904","0.0004","66.493","0.002","89.947","0.002","89.447","0.002","1935.69","0.08","100.01","0.1","100.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C42 H24 O6 S3 -","- C42 H24 O6 S3 -","- C84 H48 O12 S6 -","2","1","","Xu, Gaoqiang; Zhao, Ying; Xie, Sheng; Zhou, Zhibiao; Luo, Ziyu; Liu, Haohao; Zhang, Yang; Qiu, Zijie; Pan, Anlian; Zeng, Zebing; Tang, Ben Zhong","Sulfone-functionalized stereoisomeric [3]radialene displays guest induced modulation of porous frameworks and critical crystallization-induced near-infrared emission.","Chemical science","2026","17","10","5092","5102","10.1039/d5sc06925d","","x-ray","1.54184","CuKα","","0.0464","0.0419","","","0.1002","0.1018","","","","","","1.049","","","","has coordinates","305044","2026-03-11","23:15:15",""
"1576869","14.4113","0.0004","25.3415","0.0008","12.3572","0.0004","90","","109.413","0.001","90","","4256.3","0.2","213","","213","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H24 O6 S3 -","- C42 H24 O6 S3 -","- C168 H96 O24 S12 -","4","1","","Xu, Gaoqiang; Zhao, Ying; Xie, Sheng; Zhou, Zhibiao; Luo, Ziyu; Liu, Haohao; Zhang, Yang; Qiu, Zijie; Pan, Anlian; Zeng, Zebing; Tang, Ben Zhong","Sulfone-functionalized stereoisomeric [3]radialene displays guest induced modulation of porous frameworks and critical crystallization-induced near-infrared emission.","Chemical science","2026","17","10","5092","5102","10.1039/d5sc06925d","","","0.71073","MoKα","","0.0554","0.0446","","","0.1499","0.16","","","","","","1.169","","","","has coordinates","305044","2026-03-11","23:15:16",""
"1576870","14.864","0.002","25.267","0.004","12.5224","0.0018","90","","109.556","0.004","90","","4431.7","1.1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H28 O7 S3 -","- C44 H28 O7 S3 -","- C176 H112 O28 S12 -","4","1","","Xu, Gaoqiang; Zhao, Ying; Xie, Sheng; Zhou, Zhibiao; Luo, Ziyu; Liu, Haohao; Zhang, Yang; Qiu, Zijie; Pan, Anlian; Zeng, Zebing; Tang, Ben Zhong","Sulfone-functionalized stereoisomeric [3]radialene displays guest induced modulation of porous frameworks and critical crystallization-induced near-infrared emission.","Chemical science","2026","17","10","5092","5102","10.1039/d5sc06925d","","","0.71073","MoKα","","0.187","0.0901","","","0.2436","0.2939","","","","","","0.994","","","","has coordinates","305044","2026-03-11","23:15:16",""
"1576871","7.868","0.004","22.623","0.015","18.246","0.013","90","","94.783","0.014","90","","3236","4","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H2.29 O0.57 S0.29 -","- C4 H2.28571 O0.571429 S0.285714 -","- C168 H96 O24 S12 -","42","10.5","","Xu, Gaoqiang; Zhao, Ying; Xie, Sheng; Zhou, Zhibiao; Luo, Ziyu; Liu, Haohao; Zhang, Yang; Qiu, Zijie; Pan, Anlian; Zeng, Zebing; Tang, Ben Zhong","Sulfone-functionalized stereoisomeric [3]radialene displays guest induced modulation of porous frameworks and critical crystallization-induced near-infrared emission.","Chemical science","2026","17","10","5092","5102","10.1039/d5sc06925d","","","0.71073","MoKα","","0.0574","0.0439","","","0.1082","0.1186","","","","","","1.079","","","","has coordinates","305044","2026-03-11","23:15:16",""
"1576872","13.8618","0.0002","15.5465","0.0002","15.6088","0.0002","90","","109.663","0.002","90","","3167.59","0.08","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H32 Ce2 Cl10 S16 -","- C56 H32 Ce2 Cl10 S16 -","- C112 H64 Ce4 Cl20 S32 -","2","0.5","","Gupta, Himanshu; Shapera, Ethan P.; Yu, Xiaojuan; Wang, Xiaoyu; Smith, Patrick W.; Pandey, Pragati; Gau, Michael R.; Minasian, Stefan G.; Zurek, Eva; Autschbach, Jochen; Kikkawa, James M.; Schelter, Eric J.","Leveraging the redox activities of cerium and dibenzotetrathiafulvalene to discover a photo-responsive magnetic material.","Chemical science","2026","17","18","9215","9222","10.1039/d5sc08870d","","x-ray","0.71073","MoKα","","0.0889","0.0633","","","0.1579","0.1703","","","","","","1.071","","","","has coordinates","306340","2026-06-05","18:38:55",""
"1576873","12.9602","0.0006","17.7674","0.0012","23.0842","0.0011","68.881","0.004","81.564","0.003","71.711","0.004","4704.7","0.5","180","","180","","","","","","","","","7","P -1","-P 1","2","","","","- C99 H109 Cl3 F4 N8 O4 S4 -","- C99 H109 Cl3 F4 N8 O4 S4 -","- C198 H218 Cl6 F8 N16 O8 S8 -","2","1","","Wang, Jie; Chen, Xin; Huo, Jingyi; Yang, Jiong; Li, Longyu; Shi, Wendi; Bian, Ruibin; Zhao, Wenkai; Long, Guankui; Yao, Zhaoyang; Li, Chenxi; Wan, Xiangjian; Chen, Yongsheng","Synergistic Steric-Dipole Modulation via Stepwise Trifluoromethyl Substitution Enables Active-Layer Hierarchical Assembly and >20% Power Conversion Efficiency in Organic Photovoltaic Devices","Energy & Environmental Science","2026","","","","","10.1039/D5EE07321A","","","1.54178","CuKα","","0.2659","0.2114","","","0.4676","0.5053","","","","","","1.107","","","","has coordinates","305067","2026-03-13","00:33:30",""
"1576874","12.986","0.0006","17.7668","0.0011","23.1063","0.0012","68.582","0.004","81.345","0.003","71.646","0.003","4706.6","0.5","170","","170","","","","","","","","","7","P -1","-P 1","2","","","","- C199 H215 Cl3 F14 N16 O8 S8 -","- C199 H215 Cl3 F14 N16 O8 S8 -","- C199 H215 Cl3 F14 N16 O8 S8 -","1","0.5","","Wang, Jie; Chen, Xin; Huo, Jingyi; Yang, Jiong; Li, Longyu; Shi, Wendi; Bian, Ruibin; Zhao, Wenkai; Long, Guankui; Yao, Zhaoyang; Li, Chenxi; Wan, Xiangjian; Chen, Yongsheng","Synergistic Steric-Dipole Modulation via Stepwise Trifluoromethyl Substitution Enables Active-Layer Hierarchical Assembly and >20% Power Conversion Efficiency in Organic Photovoltaic Devices","Energy & Environmental Science","2026","","","","","10.1039/D5EE07321A","","","1.54178","CuKα","","0.258","0.2031","","","0.4447","0.4794","","","","","","1.032","","","","has coordinates,has disorder","305067","2026-03-13","00:33:31",""
"1576875","12.8673","0.0009","16.3829","0.0012","23.2488","0.0016","99.692","0.004","98.243","0.003","94.31","0.004","4756.2","0.6","170","","170","","","","","","","","","7","P -1","-P 1","2","","","","- C101 H107 Cl3 F10 N8 O4 S4 -","- C100 H106 F10 N8 O4 S4 -","- C200 H212 F20 N16 O8 S8 -","2","1","","Wang, Jie; Chen, Xin; Huo, Jingyi; Yang, Jiong; Li, Longyu; Shi, Wendi; Bian, Ruibin; Zhao, Wenkai; Long, Guankui; Yao, Zhaoyang; Li, Chenxi; Wan, Xiangjian; Chen, Yongsheng","Synergistic Steric-Dipole Modulation via Stepwise Trifluoromethyl Substitution Enables Active-Layer Hierarchical Assembly and >20% Power Conversion Efficiency in Organic Photovoltaic Devices","Energy & Environmental Science","2026","","","","","10.1039/D5EE07321A","","","1.54178","CuKα","","0.2113","0.1742","","","0.3995","0.4216","","","","","","1.199","","","","has coordinates","305067","2026-03-13","00:33:31",""
"1576876","11.7086","0.0015","9.5131","0.0012","31.662","0.004","90","","94.913","0.003","90","","3513.7","0.8","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H29 N3 O3 -","- C16 H29 N3 O3 -","- C128 H232 N24 O24 -","8","2","","Ratnam, Shahilan; Unone, Shreya; Alia, Nabeel; Hafeneger, Enyu Denny; Janssen-Müller, Daniel","Biginelli dihydropyrimidines: a tunable class of alkyl radical precursors.","Chemical science","2026","17","18","8998","9005","10.1039/d6sc00376a","","x-ray","1.54178","CuKα","","0.0744","0.0693","","","0.2155","0.2248","","","","","","1.091","","","","has coordinates","306345","2026-06-05","18:39:30",""
"1576877","18.295","0.0005","10.1722","0.0003","16.2289","0.0005","90","","90","","90","","3020.2","0.15","100","","100","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C16 H23 N3 O2 -","- C16 H23 N3 O2 -","- C128 H184 N24 O16 -","8","2","","Ratnam, Shahilan; Unone, Shreya; Alia, Nabeel; Hafeneger, Enyu Denny; Janssen-Müller, Daniel","Biginelli dihydropyrimidines: a tunable class of alkyl radical precursors.","Chemical science","2026","17","18","8998","9005","10.1039/d6sc00376a","","x-ray","0.71073","MoKα","","0.0586","0.0515","","","0.1313","0.1371","","","","","","1.07","","","","has coordinates","306345","2026-06-05","18:39:30",""
"1576878","13.3817","0.0007","9.0674","0.0005","12.4298","0.0008","90","","92.322","0.002","90","","1506.96","0.15","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H24 N2 O2 S -","- C15 H24 N2 O2 S -","- C60 H96 N8 O8 S4 -","4","1","","Ratnam, Shahilan; Unone, Shreya; Alia, Nabeel; Hafeneger, Enyu Denny; Janssen-Müller, Daniel","Biginelli dihydropyrimidines: a tunable class of alkyl radical precursors.","Chemical science","2026","17","18","8998","9005","10.1039/d6sc00376a","","x-ray","0.71073","MoKα","","0.0162","0.0144","","","0.0325","0.0334","","","","","","1.116","","","","has coordinates","306345","2026-06-05","18:39:30",""
"1576879","14.954","0.004","15.115","0.004","31.972","0.008","86.988","0.009","77.697","0.008","86.723","0.008","7043","3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C124 H109 B2 F50 Ga5 N2 Ni -","- C124 H109 B2 F50 Ga5 N2 Ni -","- C248 H218 B4 F100 Ga10 N4 Ni2 -","2","1","","Antsiburov, Ivan; Bühler, Raphael; Stephan, Johannes; Erdyakov, Maxim; Gemel, Christian; Kahlal, Samia; Cador, Olivier; Guizouarn, Thierry; Saillard, Jean-Yves; Meyer, Karsten; Fischer, Roland A.","Homoleptic seven-coordinate Ti(0) and Zr(0) through a new stabilization mode.","Chemical science","2026","17","18","8989","8997","10.1039/d6sc00226a","","x-ray","0.71073","MoKα","","0.0614","0.0444","","","0.1143","0.1241","","","","","","1.031","","","","has coordinates,has disorder","306347","2026-06-05","18:39:57",""
"1576880","18.5457","0.0014","24.97","0.002","24.6272","0.0019","90","","90.42","0.003","90","","11404.2","1.5","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C112 H91 B2 F50 Ga4 N Ni -","- C112 H91 B2 F50 Ga4 N Ni -","- C448 H364 B8 F200 Ga16 N4 Ni4 -","4","1","","Antsiburov, Ivan; Bühler, Raphael; Stephan, Johannes; Erdyakov, Maxim; Gemel, Christian; Kahlal, Samia; Cador, Olivier; Guizouarn, Thierry; Saillard, Jean-Yves; Meyer, Karsten; Fischer, Roland A.","Homoleptic seven-coordinate Ti(0) and Zr(0) through a new stabilization mode.","Chemical science","2026","17","18","8989","8997","10.1039/d6sc00226a","","x-ray","0.71073","MoKα","","0.0761","0.0463","","","0.1075","0.1337","","","","","","1.237","","","","has coordinates,has disorder","306347","2026-06-05","18:39:57",""
"1576881","15.5145","0.0008","16.2457","0.0007","16.922","0.0008","90","","103.637","0.002","90","","4144.8","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C76 H42 B2 F48 N6 Ni -","- C76 H42 B2 F48 N6 Ni -","- C152 H84 B4 F96 N12 Ni2 -","2","0.5","","Antsiburov, Ivan; Bühler, Raphael; Stephan, Johannes; Erdyakov, Maxim; Gemel, Christian; Kahlal, Samia; Cador, Olivier; Guizouarn, Thierry; Saillard, Jean-Yves; Meyer, Karsten; Fischer, Roland A.","Homoleptic seven-coordinate Ti(0) and Zr(0) through a new stabilization mode.","Chemical science","2026","17","18","8989","8997","10.1039/d6sc00226a","","x-ray","0.71073","MoKα","","0.0708","0.0464","","","0.0973","0.1079","","","","","","1.017","","","","has coordinates,has disorder","306347","2026-06-05","18:39:57",""
"1576882","15.5466","0.0002","17.0764","0.0002","24.2512","0.0002","75.881","0.001","87.536","0.001","69.685","0.001","5849.19","0.12","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C83 H136 In15 N7 O53 S7 -","- C77 H112 In15 N7 O47 S7 -","- C154 H224 In30 N14 O94 S14 -","2","1","","Wang, Xiuzhen; Chen, Yi-An; Yi, Xiaofeng; Chen, Shumei; Zhang, Jian","Record-large indium-oxo clusters: synthesis, hierarchical assembly, and efficient optical limiting.","Chemical science","2026","17","18","9256","9263","10.1039/d6sc00913a","","x-ray","1.54184","CuKα","","0.0463","0.0383","","","0.0967","0.1023","","","","","","1.058","","","","has coordinates,has disorder","306342","2026-06-05","18:39:12",""
"1576883","15.3165","0.0002","22.1037","0.0003","24.5398","0.0003","106.763","0.001","102.027","0.001","109.598","0.001","7052.38","0.19","99.98","0.13","99.98","0.13","","","","","","","","6","P -1","-P 1","2","","","","- C219.66 H456 Cl1.62 In30 N33.18 O144.68 -","- C134.856 H214 Cl1.62 In30 N22.38 O92.284 -","- C134.856 H214 Cl1.62 In30 N22.38 O92.284 -","1","0.5","","Wang, Xiuzhen; Chen, Yi-An; Yi, Xiaofeng; Chen, Shumei; Zhang, Jian","Record-large indium-oxo clusters: synthesis, hierarchical assembly, and efficient optical limiting.","Chemical science","2026","17","18","9256","9263","10.1039/d6sc00913a","","x-ray","1.3405","GaKα","","0.0402","0.0316","","","0.085","0.0895","","","","","","1.048","","","","has coordinates,has disorder","306342","2026-06-05","18:39:12",""
"1576884","15.3911","0.0002","17.1544","0.0002","26.9239","0.0003","105.286","0.001","96.312","0.001","103.506","0.001","6555.04","0.15","100","0.11","100","0.11","","","","","","","","6","P -1","-P 1","2","","","","- C99.95 H155 F7 In15 N7 O56.05 -","- C91.95 H123 F7 In15 N7 O48.05 -","- C183.9 H246 F14 In30 N14 O96.1 -","2","1","","Wang, Xiuzhen; Chen, Yi-An; Yi, Xiaofeng; Chen, Shumei; Zhang, Jian","Record-large indium-oxo clusters: synthesis, hierarchical assembly, and efficient optical limiting.","Chemical science","2026","17","18","9256","9263","10.1039/d6sc00913a","","x-ray","0.71073","MoKα","","0.0557","0.0368","","","0.0799","0.0886","","","","","","1.011","","","","has coordinates,has disorder","306342","2026-06-05","18:39:12",""
"1576885","15.6948","0.0003","17.2125","0.0002","24.8215","0.0004","76.065","0.001","87.654","0.001","70.495","0.001","6128.91","0.18","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C96.3 H147.58 In15 N7 O52.49 -","- C92.3 H131.58 In15 N7 O48.49 -","- C184.6 H263.16 In30 N14 O96.98 -","2","1","","Wang, Xiuzhen; Chen, Yi-An; Yi, Xiaofeng; Chen, Shumei; Zhang, Jian","Record-large indium-oxo clusters: synthesis, hierarchical assembly, and efficient optical limiting.","Chemical science","2026","17","18","9256","9263","10.1039/d6sc00913a","","x-ray","0.71073","MoKα","","0.0424","0.0284","","","0.0599","0.0637","","","","","","1.029","","","","has coordinates,has disorder","306342","2026-06-05","18:39:12",""
"1576886","19.5767","0.0004","20.3062","0.0004","22.4453","0.0005","111.33","0.002","97.119","0.002","104.915","0.002","7793.3","0.3","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C122.7 H255 In15 N18 O79.3 -","- C73.7 H113 In15 N12 O48.3 -","- C147.4 H226 In30 N24 O96.6 -","2","1","","Wang, Xiuzhen; Chen, Yi-An; Yi, Xiaofeng; Chen, Shumei; Zhang, Jian","Record-large indium-oxo clusters: synthesis, hierarchical assembly, and efficient optical limiting.","Chemical science","2026","17","18","9256","9263","10.1039/d6sc00913a","","x-ray","1.54184","CuKα","","0.0952","0.0756","","","0.2051","0.2191","","","","","","1.02","","","","has coordinates,has disorder","306342","2026-06-05","18:39:12",""
"1576887","6.8308","0.0005","12.1154","0.001","8.1913","0.0008","90","","105.093","0.004","90","","654.51","0.1","273","2","273","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C18 H13 N O2 -","- C18 H13 N O2 -","- C36 H26 N2 O4 -","2","0.5","","Yang, Guangxin; Zhu, Tianwen; Chen, Xiang; Duan, Junhao; Zhao, Zhipeng; Yuan, Wang Zhang","Site-selective bromination of anthracene-maleimide Diels-Alder crystals for tunable afterglow and white light emission.","Chemical science","2026","17","18","9072","9080","10.1039/d6sc00542j","","","1.54178","CuKα","","0.0471","0.036","","","0.0914","0.1004","","","","","","1.036","","","","has coordinates","306349","2026-06-05","18:40:20",""
"1576888","11.5007","0.0014","9.0346","0.0013","15.407","0.003","90","","109.696","0.011","90","","1507.2","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H11 Br2 N O2 -","- C18 H11 Br2 N O2 -","- C72 H44 Br8 N4 O8 -","4","1","","Yang, Guangxin; Zhu, Tianwen; Chen, Xiang; Duan, Junhao; Zhao, Zhipeng; Yuan, Wang Zhang","Site-selective bromination of anthracene-maleimide Diels-Alder crystals for tunable afterglow and white light emission.","Chemical science","2026","17","18","9072","9080","10.1039/d6sc00542j","","","1.54178","CuKα","","0.0247","0.0246","","","0.0613","0.0614","","","","","","1.039","","","","has coordinates","306349","2026-06-05","18:40:20",""
"1576889","8.011","0.003","17.559","0.004","10.817","0.004","90","","105.964","0.014","90","","1462.9","0.8","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H14 Br N O2 -","- C19 H14 Br N O2 -","- C76 H56 Br4 N4 O8 -","4","1","","Yang, Guangxin; Zhu, Tianwen; Chen, Xiang; Duan, Junhao; Zhao, Zhipeng; Yuan, Wang Zhang","Site-selective bromination of anthracene-maleimide Diels-Alder crystals for tunable afterglow and white light emission.","Chemical science","2026","17","18","9072","9080","10.1039/d6sc00542j","","","1.54178","CuKα","","0.0887","0.0821","","","0.2574","0.2634","","","","","","1.051","","","","has coordinates","306349","2026-06-05","18:40:20",""
"1576890","12.654","0.003","7.375","0.002","17.626","0.005","90","","104.48","0.02","90","","1592.7","0.7","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H11 Br2 N O2 -","- C18 H11 Br2 N O2 -","- C72 H44 Br8 N4 O8 -","4","1","","Yang, Guangxin; Zhu, Tianwen; Chen, Xiang; Duan, Junhao; Zhao, Zhipeng; Yuan, Wang Zhang","Site-selective bromination of anthracene-maleimide Diels-Alder crystals for tunable afterglow and white light emission.","Chemical science","2026","17","18","9072","9080","10.1039/d6sc00542j","","","1.54178","CuKα","","0.0469","0.0334","","","0.0843","0.0917","","","","","","1.031","","","","has coordinates","306349","2026-06-05","18:40:20",""
"1576891","10.859","0.002","15.785","0.003","22.301","0.005","90","","91.655","0.009","90","","3821","1.3","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C60 H70 Ag3 F18 N9 O12 S6 -","- C60 H70 Ag3 F18 N9 O12 S6 -","- C120 H140 Ag6 F36 N18 O24 S12 -","2","0.5","","Panja, Subir; Trinh, Tuan Anh; Warrington, Ethan M.; Hu, Derek B.; Garman, Leah C.; Guzei, Ilia A.; Schomaker, Jennifer M.","Silver-catalysed intermolecular benzylic-selective C-H amidation <i>via</i> nitrene transfer.","Chemical science","2026","17","18","9264","9269","10.1039/d5sc10184k","","x-ray","0.71073","MoKα","K-L~3~","0.0389","0.0338","","","0.0894","0.093","","","","","","1.133","","","","has coordinates,has disorder","306351","2026-06-05","18:40:28",""
"1576892","10.7205","0.0019","15.731","0.003","21.503","0.004","84.243","0.006","83.807","0.007","77.184","0.007","3504.4","1.1","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C58.5 H72.34 Ag2 Cl F12 N8 O8.67 S4 -","- C58 H71.338 Ag2 F12 N8 O8.669 S4 -","- C116 H142.676 Ag4 F24 N16 O17.338 S8 -","2","1","","Panja, Subir; Trinh, Tuan Anh; Warrington, Ethan M.; Hu, Derek B.; Garman, Leah C.; Guzei, Ilia A.; Schomaker, Jennifer M.","Silver-catalysed intermolecular benzylic-selective C-H amidation <i>via</i> nitrene transfer.","Chemical science","2026","17","18","9264","9269","10.1039/d5sc10184k","","x-ray","0.71073","MoKα","K-L~3~","0.0364","0.0316","","","0.0772","0.0809","","","","","","1.018","","","","has coordinates,has disorder","306351","2026-06-05","18:40:28",""
"1576893","9.4288","0.0005","12.6625","0.0007","13.1745","0.0007","90","","95.224","0.005","90","","1566.4","0.15","298","","298","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H23 N O3 -","- C15 H23 N O3 -","- C60 H92 N4 O12 -","4","1","","Gnavi, Riccardo; De Nardi, Federica; Meazzo, Carolina; Ghinato, Simone; Grimaldi, Ettore; Maranzana, Andrea; Prandi, Cristina; Blangetti, Marco","Solvent-controlled, chemodivergent oxidative anionic Fries rearrangement of <i>O</i>-aryl carbamates under aerobic conditions.","Chemical science","2026","17","11","5701","5711","10.1039/d5sc09227b","","x-ray","0.71073","MoKα","","0.1034","0.0617","","","0.1512","0.1721","","","","","","1.026","","","","has coordinates","305129","2026-03-18","23:19:13",""
"1576894","9.2426","0.0001","43.0831","0.0005","19.3643","0.0002","90","","93.29","0.001","90","","7698.15","0.15","100.15","","100.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C49 H33 Cl3 N2 -","- C49 H33 Cl3 N2 -","- C392 H264 Cl24 N16 -","8","2","","Li, Meng-Hao; Hui, Hui; Wang, Yan; Yang, Ying-Wei","Superstructure-induced enhancement of solid-state triphenylacrylonitrile photochromism <i>via</i> a macrocycle-mediated blocking strategy.","Chemical science","2026","17","11","5745","5757","10.1039/d5sc08539j","","","1.54184","CuKα","","0.0853","0.0756","","","0.1621","0.1655","","","","","","1.111","","","","has coordinates","305130","2026-03-18","23:20:19",""
"1576895","45.8525","0.0009","13.1186","0.0003","33.5659","0.0007","90","","132.199","0.001","90","","14957.5","0.6","173","","173","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C90 H86 Cl2 N2 O10 -","- C90 H86 Cl2 N2 O10 -","- C720 H688 Cl16 N16 O80 -","8","1","","Li, Meng-Hao; Hui, Hui; Wang, Yan; Yang, Ying-Wei","Superstructure-induced enhancement of solid-state triphenylacrylonitrile photochromism <i>via</i> a macrocycle-mediated blocking strategy.","Chemical science","2026","17","11","5745","5757","10.1039/d5sc08539j","","","1.54178","CuKα","","0.0815","0.0778","","","0.2279","0.2316","","","","","","1.034","","","","has coordinates,has disorder","305130","2026-03-18","23:20:19",""
"1576896","31.0098","0.001","24.3849","0.0008","22.9318","0.0007","90","","120.024","0.001","90","","15013.6","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C88.5 H84 Cl2 N2 O10.5 -","- C87 H78 Cl2 N2 O9 -","- C696 H624 Cl16 N16 O72 -","8","1","","Li, Meng-Hao; Hui, Hui; Wang, Yan; Yang, Ying-Wei","Superstructure-induced enhancement of solid-state triphenylacrylonitrile photochromism <i>via</i> a macrocycle-mediated blocking strategy.","Chemical science","2026","17","11","5745","5757","10.1039/d5sc08539j","","","0.68878","MoKα","","0.1315","0.124","","","0.3586","0.3737","","","","","","1.623","","","","has coordinates,has disorder","305130","2026-03-18","23:20:19",""
"1576897","45.8868","0.0017","13.115","0.0005","33.8049","0.0013","90","","132.234","0.002","90","","15062.8","1.1","193","","193","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C90 H82 Cl2 N2 O12 -","- C90 H82 Cl2 N2 O12 -","- C720 H656 Cl16 N16 O96 -","8","1","","Li, Meng-Hao; Hui, Hui; Wang, Yan; Yang, Ying-Wei","Superstructure-induced enhancement of solid-state triphenylacrylonitrile photochromism <i>via</i> a macrocycle-mediated blocking strategy.","Chemical science","2026","17","11","5745","5757","10.1039/d5sc08539j","","","1.54178","CuKα","","0.0917","0.0687","","","0.1962","0.2218","","","","","","1.031","","","","has coordinates,has disorder","305130","2026-03-18","23:20:19",""
"1576898","15.5235","0.0015","12.3965","0.001","20.4377","0.0015","90","","102.146","0.006","90","","3844.9","0.6","300.15","","300.15","","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C85 H72 N2 O8 -","- C85 H72 N2 O8 -","- C170 H144 N4 O16 -","2","0.5","","Li, Meng-Hao; Hui, Hui; Wang, Yan; Yang, Ying-Wei","Superstructure-induced enhancement of solid-state triphenylacrylonitrile photochromism <i>via</i> a macrocycle-mediated blocking strategy.","Chemical science","2026","17","11","5745","5757","10.1039/d5sc08539j","","","0.71073","MoKα","","0.1153","0.1004","","","0.195","0.2042","","","","","","1.078","","","","has coordinates","305130","2026-03-18","23:20:19",""
"1576899","17.7269","0.0008","22.0508","0.0011","20.6123","0.0011","90","","103.142","0.002","90","","7846.2","0.7","271","","271","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C93 H88 N2 O12 -","- C93 H88 N2 O12 -","- C372 H352 N8 O48 -","4","1","","Li, Meng-Hao; Hui, Hui; Wang, Yan; Yang, Ying-Wei","Superstructure-induced enhancement of solid-state triphenylacrylonitrile photochromism <i>via</i> a macrocycle-mediated blocking strategy.","Chemical science","2026","17","11","5745","5757","10.1039/d5sc08539j","","","0.71073","MoKα","","0.0862","0.0623","","","0.1503","0.1753","","","","","","1.057","","","","has coordinates","305130","2026-03-18","23:20:19",""
"1576900","41.747","0.003","7.8119","0.0007","30.271","0.003","90","","120.236","0.003","90","","8529.1","1.3","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","DGR-OPh_200K","","","- C42.75 H36.5 B Cl0.75 N6 O13 -","- C42.75 H36.5 B Cl0.75 N6 O13 -","- C342 H292 B8 Cl6 N48 O104 -","8","1","","Krishna, Swathi; Cañizares-Espada, Elena; Guzmán, David; Bo, Yifan; Clark, Timothy; Torres, Tomás; Guldi, Dirk M.; Rodríguez-Morgade, M Salomé","Subporphyrazine scaffolds as emerging electron acceptors for long-lived charge separation.","Chemical science","2026","17","11","5563","5575","10.1039/d5sc08213g","","","0.71073","MoKα","","0.2174","0.0772","","","0.1761","0.2511","","","","","","1.026","","","","has coordinates","305132","2026-03-18","23:21:08",""
"1576901","10.3333","0.0001","10.3333","0.0001","39.8477","0.0005","90","","90","","90","","4254.82","0.08","295.22","0.1","295.22","0.1","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C25 H20 N O4 P -","- C25 H20 N O4 P -","- C200 H160 N8 O32 P8 -","8","1","","Gong, Jin-Yu; Zhou, Pan-Pan; Qiao, Yu-Hao; Qi, Zhi-Chao; Zuo, Qian-Ming; Fang, Qing-Xia; Yang, Shang-Dong","Synergistic diselenide/guanidine catalyzed dehydrophosphorylation of 2-nitrobenzhydrols to access C-stereogenic phosphinates.","Chemical science","2026","17","19","9526","9534","10.1039/d5sc07228j","","x-ray","1.54184","CuKα","","0.037","0.0339","","","0.0923","0.0945","","","","","","1.047","","","","has coordinates","306312","2026-06-05","18:34:37",""
"1576902","9.7657","0.0004","10.2109","0.0004","12.7242","0.0007","90","","102.499","0.005","90","","1238.74","0.1","170","0.1","170","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H29 Br O5 -","- C28 H29 Br O5 -","- C56 H58 Br2 O10 -","2","1","","Xu, He-Huan; Qian, Duo-Duo; Fan, Yi; Zhang, Jia-Jia; Guo, Chang-Le; Xu, Hai-Chao","Electrochemically cooperative halogen-cation delivery enables modular electrophilic haloesterification of both activated and unactivated alkenes.","Chemical science","2026","17","19","9684","9694","10.1039/d6sc00279j","","x-ray","1.54184","CuKα","","0.1558","0.1362","","","0.3908","0.4017","","","","","","1.662","","","","has coordinates","306307","2026-06-05","18:33:59",""
"1576903","6.23","0.002","6.529","0.002","17.766","0.004","90","0.03","90","0.03","90","0.03","722.6","0.4","297","2","297","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 O6 -","- C6 H12 O6 -","- C24 H48 O24 -","4","1","","Chen, Siying; Yang, Junli; Liu, Shuaijie; Huo, Yehong; Cheng, Xin; Li, Lingling; Ji, Wei","Natural monosaccharide-based piezoelectric supramolecular materials for energy harvesting and information transmission.","Chemical science","2026","17","11","5416","5429","10.1039/d5sc07918g","","","1.54178","CuKα","","0.0272","0.0269","","","0.0715","0.0718","","","","","","1.081","","","","has coordinates","305135","2026-03-18","23:21:50",""
"1576904","10.6593","0.0005","15.9035","0.0006","13.8171","0.0005","90","","90.395","0.004","90","","2342.22","0.16","300","2","300","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H34 Br4 Mn N2 -","- C16 H34 Br4 Mn N2 -","- C64 H136 Br16 Mn4 N8 -","4","1","","Chen, Guo-Yang; Lin, Hao-Wei; Ablez, Abdusalam; Guo, Xin-Pin; Ren, Yu-Wei; Luo, Jia-Hua; Zou, Qing-Hua; Du, Ke-Zhao; Wang, Ze-Ping; Huang, Xiao-Ying","A dicationic ionic liquid strategy to enhance the thermal stability of manganese bromide scintillators.","Chemical science","2026","17","11","5532","5541","10.1039/d5sc07813j","","","0.71073","MoKα","","0.0754","0.0407","","","0.0935","0.105","","","","","","1.018","","","","has coordinates","305136","2026-03-18","23:22:10",""
"1576905","10.8247","0.0007","16.1344","0.0008","13.9638","0.001","90","","90.827","0.007","90","","2438.5","0.3","450","2","450","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H34 Br4 Mn N2 -","- C16 H34 Br4 Mn N2 -","- C64 H136 Br16 Mn4 N8 -","4","1","","Chen, Guo-Yang; Lin, Hao-Wei; Ablez, Abdusalam; Guo, Xin-Pin; Ren, Yu-Wei; Luo, Jia-Hua; Zou, Qing-Hua; Du, Ke-Zhao; Wang, Ze-Ping; Huang, Xiao-Ying","A dicationic ionic liquid strategy to enhance the thermal stability of manganese bromide scintillators.","Chemical science","2026","17","11","5532","5541","10.1039/d5sc07813j","","","0.71073","MoKα","","0.1974","0.0882","","","0.193","0.246","","","","","","1.041","","","","has coordinates","305136","2026-03-18","23:22:10",""
"1576906","8.7989","0.0004","14.7459","0.0005","16.2993","0.0005","90","","90","","90","","2114.8","0.14","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H30 Br4 Mn N2 -","- C14 H30 Br4 Mn N2 -","- C56 H120 Br16 Mn4 N8 -","4","1","","Chen, Guo-Yang; Lin, Hao-Wei; Ablez, Abdusalam; Guo, Xin-Pin; Ren, Yu-Wei; Luo, Jia-Hua; Zou, Qing-Hua; Du, Ke-Zhao; Wang, Ze-Ping; Huang, Xiao-Ying","A dicationic ionic liquid strategy to enhance the thermal stability of manganese bromide scintillators.","Chemical science","2026","17","11","5532","5541","10.1039/d5sc07813j","","","0.71073","MoKα","","0.0442","0.0362","","","0.0678","0.0698","","","","","","1.057","","","","has coordinates","305137","2026-03-18","23:22:46",""
"1576907","13.4876","0.0006","14.7799","0.0006","14.8775","0.0006","63.469","0.004","70.028","0.004","69.911","0.004","2428.7","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H36 Br4 Mn N2 -","- C17 H36 Br4 Mn N2 -","- C68 H144 Br16 Mn4 N8 -","4","2","","Chen, Guo-Yang; Lin, Hao-Wei; Ablez, Abdusalam; Guo, Xin-Pin; Ren, Yu-Wei; Luo, Jia-Hua; Zou, Qing-Hua; Du, Ke-Zhao; Wang, Ze-Ping; Huang, Xiao-Ying","A dicationic ionic liquid strategy to enhance the thermal stability of manganese bromide scintillators.","Chemical science","2026","17","11","5532","5541","10.1039/d5sc07813j","","","0.71073","MoKα","","0.0827","0.0644","","","0.1576","0.1766","","","","","","1.1","","","","has coordinates","305137","2026-03-18","23:22:46",""
"1576908","10.5587","0.0003","15.7778","0.0004","13.6472","0.0004","90","","91.704","0.002","90","","2272.52","0.11","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H33 Br4 Mn N2 -","- C16 H33 Br4 Mn N2 -","- C64 H132 Br16 Mn4 N8 -","4","1","","Chen, Guo-Yang; Lin, Hao-Wei; Ablez, Abdusalam; Guo, Xin-Pin; Ren, Yu-Wei; Luo, Jia-Hua; Zou, Qing-Hua; Du, Ke-Zhao; Wang, Ze-Ping; Huang, Xiao-Ying","A dicationic ionic liquid strategy to enhance the thermal stability of manganese bromide scintillators.","Chemical science","2026","17","11","5532","5541","10.1039/d5sc07813j","","","0.71073","MoKα","","0.0636","0.0439","","","0.0824","0.0887","","","","","","1.026","","","","has coordinates","305137","2026-03-18","23:22:46",""
"1576909","14.8872","0.0007","14.046","0.0005","15.5723","0.0008","90","","114.371","0.006","90","","2966.1","0.3","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C22 H48 Br4 Mn N2 -","- C22 H48 Br4 Mn N2 -","- C88 H192 Br16 Mn4 N8 -","4","1","","Chen, Guo-Yang; Lin, Hao-Wei; Ablez, Abdusalam; Guo, Xin-Pin; Ren, Yu-Wei; Luo, Jia-Hua; Zou, Qing-Hua; Du, Ke-Zhao; Wang, Ze-Ping; Huang, Xiao-Ying","A dicationic ionic liquid strategy to enhance the thermal stability of manganese bromide scintillators.","Chemical science","2026","17","11","5532","5541","10.1039/d5sc07813j","","","0.71073","MoKα","","0.0368","0.0316","","","0.0674","0.0688","","","","","","1.031","","","","has coordinates","305137","2026-03-18","23:22:46",""
"1576910","10.7096","0.0006","15.0349","0.001","15.6459","0.0009","91.198","0.002","105.249","0.002","104.29","0.002","2345.4","0.2","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C50 H72 Al O0.5 P2 Th -","- C50 H72 Al O0.5 P2 Th -","- C100 H144 Al2 O P4 Th2 -","2","1","","Mahawar, Pritam; Wang, Ganping; Ward, Robert J.; Kelley, Steven P.; Maron, Laurent; Walensky, Justin R.","Unusual bonding situations in Th(iv) and U(iv)-Al(iii) pnictogen complexes.","Chemical science","2026","17","18","9158","9167","10.1039/d5sc09143h","","","0.71073","MoKα","","0.0308","0.0266","","","0.0656","0.0672","","","","","","1.045","","","","has coordinates,has disorder","306337","2026-06-05","18:38:29",""
"1576911","10.7863","0.0016","15.317","0.002","15.579","0.002","89.331","0.003","73.603","0.003","74.673","0.003","2375.8","0.6","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C50.5 H73 Al As2 Th -","- C50.5 H73 Al As2 Th -","- C101 H146 Al2 As4 Th2 -","2","1","","Mahawar, Pritam; Wang, Ganping; Ward, Robert J.; Kelley, Steven P.; Maron, Laurent; Walensky, Justin R.","Unusual bonding situations in Th(iv) and U(iv)-Al(iii) pnictogen complexes.","Chemical science","2026","17","18","9158","9167","10.1039/d5sc09143h","","","0.71073","MoKα","","0.1085","0.0599","","","0.1316","0.1488","","","","","","0.997","","","","has coordinates,has disorder","306337","2026-06-05","18:38:29",""
"1576912","10.5718","0.0008","14.7969","0.0011","15.6151","0.0012","91.625","0.002","105.284","0.002","103.762","0.002","2277.8","0.3","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C50.5 H73 Al P2 U -","- C50.5 H73 Al P2 U -","- C101 H146 Al2 P4 U2 -","2","1","","Mahawar, Pritam; Wang, Ganping; Ward, Robert J.; Kelley, Steven P.; Maron, Laurent; Walensky, Justin R.","Unusual bonding situations in Th(iv) and U(iv)-Al(iii) pnictogen complexes.","Chemical science","2026","17","18","9158","9167","10.1039/d5sc09143h","","","0.71073","MoKα","","0.0344","0.0272","","","0.0693","0.0735","","","","","","1.132","","","","has coordinates,has disorder","306337","2026-06-05","18:38:29",""
"1576913","9.5196","0.0005","11.1473","0.0006","15.1216","0.0008","82.637","0.002","71.7644","0.0019","78.2949","0.0019","1488.78","0.14","173","0.2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H44 N2 Th -","- C33 H44 N2 Th -","- C66 H88 N4 Th2 -","2","1","","Mahawar, Pritam; Wang, Ganping; Ward, Robert J.; Kelley, Steven P.; Maron, Laurent; Walensky, Justin R.","Unusual bonding situations in Th(iv) and U(iv)-Al(iii) pnictogen complexes.","Chemical science","2026","17","18","9158","9167","10.1039/d5sc09143h","","","0.71073","MoKα","","0.0309","0.0246","","","0.0481","0.0517","","","","","","1.089","","","","has coordinates","306337","2026-06-05","18:38:29",""
"1576914","13.062","0.003","13.198","0.003","20.188","0.005","90","","90","","90","","3480.3","1.4","150","0.2","150","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C38 H51 Al N2 U -","- C38 H51 Al N2 U -","- C152 H204 Al4 N8 U4 -","4","0.5","","Mahawar, Pritam; Wang, Ganping; Ward, Robert J.; Kelley, Steven P.; Maron, Laurent; Walensky, Justin R.","Unusual bonding situations in Th(iv) and U(iv)-Al(iii) pnictogen complexes.","Chemical science","2026","17","18","9158","9167","10.1039/d5sc09143h","","","0.71073","MoKα","","0.0625","0.0377","","","0.0698","0.0771","","","","","","1.233","","","","has coordinates","306337","2026-06-05","18:38:29",""
"1576915","10.5071","0.001","19.1915","0.0019","18.1526","0.0018","90","","92.7056","0.0018","90","","3656.3","0.6","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H55 Al N2 Th -","- C42 H55 Al N2 Th -","- C168 H220 Al4 N8 Th4 -","4","1","","Mahawar, Pritam; Wang, Ganping; Ward, Robert J.; Kelley, Steven P.; Maron, Laurent; Walensky, Justin R.","Unusual bonding situations in Th(iv) and U(iv)-Al(iii) pnictogen complexes.","Chemical science","2026","17","18","9158","9167","10.1039/d5sc09143h","","","0.71073","MoKα","","0.04","0.0258","","","0.0534","0.0576","","","","","","1.089","","","","has coordinates","306337","2026-06-05","18:38:29",""
"1576916","10.7992","0.0005","18.7301","0.0009","19.859","0.001","64.432","0.002","76.131","0.002","81.67","0.002","3513.9","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H53 N2 O1.5 Th -","- C38 H53 N2 O1.5 Th -","- C152 H212 N8 O6 Th4 -","4","2","","Mahawar, Pritam; Wang, Ganping; Ward, Robert J.; Kelley, Steven P.; Maron, Laurent; Walensky, Justin R.","Unusual bonding situations in Th(iv) and U(iv)-Al(iii) pnictogen complexes.","Chemical science","2026","17","18","9158","9167","10.1039/d5sc09143h","","","0.71073","MoKα","","0.0494","0.0296","","","0.0529","0.0622","","","","","","1.077","","","","has coordinates","306337","2026-06-05","18:38:29",""
"1576917","10.5082","0.0003","19.3141","0.0006","18.1476","0.0006","90","","92.9368","0.0012","90","","3678.3","0.2","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H55 Al N2 U -","- C42 H55 Al N2 U -","- C168 H220 Al4 N8 U4 -","4","1","","Mahawar, Pritam; Wang, Ganping; Ward, Robert J.; Kelley, Steven P.; Maron, Laurent; Walensky, Justin R.","Unusual bonding situations in Th(iv) and U(iv)-Al(iii) pnictogen complexes.","Chemical science","2026","17","18","9158","9167","10.1039/d5sc09143h","","","0.71073","MoKα","","0.0387","0.0237","","","0.0429","0.0499","","","","","","1.084","","","","has coordinates","306337","2026-06-05","18:38:29",""
"1576918","18.8242","0.0008","20.1227","0.0009","22.8761","0.001","92.677","0.002","108.915","0.002","93.71","0.002","8159.2","0.6","170","","170","","","","","","","","","5","P -1","-P 1","2","","","","- C86 H77 B4 N3 O4 -","- C86 H77 B4 N3 O4 -","- C344 H308 B16 N12 O16 -","4","2","","Wu, Jian-Rong; Yang, Yue-Jian; Yuan, Hai-Tian; Ge, Shi-Jie; Qu, Yang-Kun; Jiang, Hai-Xiao; Liu, Yin; Zhou, Dong-Ying; Liao, Liang-Sheng; Jiang, Zuo-Quan","Ladder-type π-conjugated frameworks with multi-heteroatom modulation for narrowband violet-blue multiple-resonance emitters with a low CIE <sub><i>y</i></sub> of 0.03.","Chemical science","2026","17","11","5638","5647","10.1039/d5sc09014h","","","1.54178","CuKα","","0.1333","0.0962","","","0.2763","0.3066","","","","","","1.041","","","","has coordinates,has disorder","305139","2026-03-18","23:25:20",""
"1576919","13.9689","0.0006","19.0091","0.0008","14.0226","0.0006","90","","103.179","0.003","90","","3625.4","0.3","170","","170","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C87 H82 B3 Cl2 N3 O4 -","- C87 H82 B3 Cl2 N3 O4 -","- C174 H164 B6 Cl4 N6 O8 -","2","1","","Wu, Jian-Rong; Yang, Yue-Jian; Yuan, Hai-Tian; Ge, Shi-Jie; Qu, Yang-Kun; Jiang, Hai-Xiao; Liu, Yin; Zhou, Dong-Ying; Liao, Liang-Sheng; Jiang, Zuo-Quan","Ladder-type π-conjugated frameworks with multi-heteroatom modulation for narrowband violet-blue multiple-resonance emitters with a low CIE <sub><i>y</i></sub> of 0.03.","Chemical science","2026","17","11","5638","5647","10.1039/d5sc09014h","","","1.54178","CuKα","","0.0983","0.074","","","0.1843","0.2003","","","","","","1.036","","","","has coordinates","305139","2026-03-18","23:25:20",""
"1576920","21.1315","0.0008","12.567","0.0005","32.2663","0.0013","90","","91.372","0.003","90","","8566.2","0.6","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C82 H65 B4 F4 N3 O4 -","- C82 H65 B4 F4 N3 O4 -","- C328 H260 B16 F16 N12 O16 -","4","1","","Wu, Jian-Rong; Yang, Yue-Jian; Yuan, Hai-Tian; Ge, Shi-Jie; Qu, Yang-Kun; Jiang, Hai-Xiao; Liu, Yin; Zhou, Dong-Ying; Liao, Liang-Sheng; Jiang, Zuo-Quan","Ladder-type π-conjugated frameworks with multi-heteroatom modulation for narrowband violet-blue multiple-resonance emitters with a low CIE <sub><i>y</i></sub> of 0.03.","Chemical science","2026","17","11","5638","5647","10.1039/d5sc09014h","","","1.54178","CuKα","","0.1562","0.1153","","","0.312","0.3479","","","","","","1.157","","","","has coordinates","305139","2026-03-18","23:25:20",""
"1576921","7.9304","0.0008","12.1713","0.0013","18.2053","0.0019","90","","98.604","0.006","90","","1737.5","0.3","296.15","","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H21 Cl N2 Ru -","- C19 H21 Cl N2 Ru -","- C76 H84 Cl4 N8 Ru4 -","4","1","","Zhang, Xi; Zhao, Shan; Zhou, Chen; Chen, Guo; Cao, Liru; Lin, Jian; Tang, Chen; Liu, Zhi-Yan; He, Piao; Yi, Xiao-Yi","Selective NH<sub>3</sub>-to-N<sub>2</sub>H<sub>4</sub> conversion electrocatalysed by ruthenium(ii)-cymene complexes.","Chemical science","2026","17","11","5595","5603","10.1039/d5sc08826g","","","0.71073","MoKα","","0.0301","0.0237","","","0.0575","0.0607","","","","","","1.033","","","","has coordinates","305140","2026-03-18","23:26:16",""
"1576922","13.866","0.004","9.926","0.002","29.844","0.008","90","","90","","90","","4107.5","1.8","296.15","","296.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C21 H27 Cl N2 O Ru -","- C21 H27 Cl N2 O Ru -","- C168 H216 Cl8 N16 O8 Ru8 -","8","1","","Zhang, Xi; Zhao, Shan; Zhou, Chen; Chen, Guo; Cao, Liru; Lin, Jian; Tang, Chen; Liu, Zhi-Yan; He, Piao; Yi, Xiao-Yi","Selective NH<sub>3</sub>-to-N<sub>2</sub>H<sub>4</sub> conversion electrocatalysed by ruthenium(ii)-cymene complexes.","Chemical science","2026","17","11","5595","5603","10.1039/d5sc08826g","","","0.71073","MoKα","","0.075","0.0395","","","0.0837","0.0971","","","","","","1.009","","","","has coordinates","305140","2026-03-18","23:26:16",""
"1576923","14.2628","0.0001","14.3393","0.0002","42.7074","0.0004","90","","90","","90","","8734.46","0.16","99.98","0.19","99.98","0.19","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C80 H104 F24 N12 P4 Ru4 -","- C80 H104 F24 N12 P4 Ru4 -","- C320 H416 F96 N48 P16 Ru16 -","4","1","","Zhang, Xi; Zhao, Shan; Zhou, Chen; Chen, Guo; Cao, Liru; Lin, Jian; Tang, Chen; Liu, Zhi-Yan; He, Piao; Yi, Xiao-Yi","Selective NH<sub>3</sub>-to-N<sub>2</sub>H<sub>4</sub> conversion electrocatalysed by ruthenium(ii)-cymene complexes.","Chemical science","2026","17","11","5595","5603","10.1039/d5sc08826g","","x-ray","1.54184","CuKα","","0.0771","0.0699","","","0.1823","0.1873","","","","","","1.089","","","","has coordinates","305140","2026-03-18","23:26:16",""
"1576924","17.043","0.0008","7.7147","0.0004","16.6516","0.0008","90","","113.872","0.003","90","","2002.08","0.18","296.15","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H27 Cl N2 Ru -","- C22 H27 Cl N2 Ru -","- C88 H108 Cl4 N8 Ru4 -","4","1","","Zhang, Xi; Zhao, Shan; Zhou, Chen; Chen, Guo; Cao, Liru; Lin, Jian; Tang, Chen; Liu, Zhi-Yan; He, Piao; Yi, Xiao-Yi","Selective NH<sub>3</sub>-to-N<sub>2</sub>H<sub>4</sub> conversion electrocatalysed by ruthenium(ii)-cymene complexes.","Chemical science","2026","17","11","5595","5603","10.1039/d5sc08826g","","","0.71073","MoKα","","0.0491","0.0337","","","0.0733","0.0797","","","","","","1.023","","","","has coordinates","305140","2026-03-18","23:26:16",""
"1576925","16.5485","0.0006","7.7864","0.0003","14.8165","0.0006","90","","104.586","0.002","90","","1847.62","0.12","296.15","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H23 Cl N2 Ru -","- C20 H23 Cl N2 Ru -","- C80 H92 Cl4 N8 Ru4 -","4","1","","Zhang, Xi; Zhao, Shan; Zhou, Chen; Chen, Guo; Cao, Liru; Lin, Jian; Tang, Chen; Liu, Zhi-Yan; He, Piao; Yi, Xiao-Yi","Selective NH<sub>3</sub>-to-N<sub>2</sub>H<sub>4</sub> conversion electrocatalysed by ruthenium(ii)-cymene complexes.","Chemical science","2026","17","11","5595","5603","10.1039/d5sc08826g","","","0.71073","MoKα","","0.0552","0.033","","","0.0615","0.0682","","","","","","1.021","","","","has coordinates","305140","2026-03-18","23:26:16",""
"1576926","12.7332","0.0014","19.7139","0.0019","22.965","0.003","90","","98.091","0.004","90","","5707.3","1.1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","2a","","- C50 H89 Al N3 Na Si3 -","- C50 H89 Al N3 Na Si3 -","- C200 H356 Al4 N12 Na4 Si12 -","4","1","","Ludwig, Moritz; Voigtland, Johannes; Vasko, Petra; Stigler, Sebastian; Inoue, Shigeyoshi","Alumanyl silanides as multifunctional reagents for olefin cycloaddition, CO hydrosilylation, and reductive CO coupling.","Chemical science","2026","17","11","5463","5473","10.1039/d5sc09910b","","x-ray","0.71073","MoKα","","0.1485","0.0919","","","0.2419","0.3434","","","","","","1.056","","","","has coordinates,has disorder","305141","2026-03-18","23:27:19",""
"1576927","22.679","0.003","12.3747","0.0015","29.1","0.004","90","","105.38","0.004","90","","7874.3","1.8","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","6'","","- C76 H122 Al N6 Na O Si3 -","- C76 H122 Al N6 Na O Si3 -","- C304 H488 Al4 N24 Na4 O4 Si12 -","4","1","","Ludwig, Moritz; Voigtland, Johannes; Vasko, Petra; Stigler, Sebastian; Inoue, Shigeyoshi","Alumanyl silanides as multifunctional reagents for olefin cycloaddition, CO hydrosilylation, and reductive CO coupling.","Chemical science","2026","17","11","5463","5473","10.1039/d5sc09910b","","x-ray","0.71073","MoKα","","0.0646","0.0457","","","0.1151","0.1222","","","","","","0.976","","","","has coordinates,has disorder","305141","2026-03-18","23:27:19",""
"1576928","13.4662","0.0011","15.2603","0.0014","18.1791","0.0016","91.518","0.003","92.963","0.003","115.278","0.003","3368.7","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","5","","- C65 H110 Al N3 Na O3 Si3 -","- C65 H110 Al N3 Na O3 Si3 -","- C130 H220 Al2 N6 Na2 O6 Si6 -","2","1","","Ludwig, Moritz; Voigtland, Johannes; Vasko, Petra; Stigler, Sebastian; Inoue, Shigeyoshi","Alumanyl silanides as multifunctional reagents for olefin cycloaddition, CO hydrosilylation, and reductive CO coupling.","Chemical science","2026","17","11","5463","5473","10.1039/d5sc09910b","","x-ray","0.71073","MoKα","","0.0374","0.0363","","","0.0996","0.1008","","","","","","1.055","","","","has coordinates,has disorder","305141","2026-03-18","23:27:19",""
"1576929","40.718","0.002","12.233","0.0006","24.1961","0.0013","90","","104.607","0.003","90","","11662.6","1","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","6","","- C53 H95 Al N3 Na O3 Si3 -","- C53 H95 Al N3 Na O3 Si3 -","- C424 H760 Al8 N24 Na8 O24 Si24 -","8","1","","Ludwig, Moritz; Voigtland, Johannes; Vasko, Petra; Stigler, Sebastian; Inoue, Shigeyoshi","Alumanyl silanides as multifunctional reagents for olefin cycloaddition, CO hydrosilylation, and reductive CO coupling.","Chemical science","2026","17","11","5463","5473","10.1039/d5sc09910b","","x-ray","0.71073","MoKα","","0.0916","0.0791","","","0.2217","0.2373","","","","","","1.026","","","","has coordinates,has disorder","305141","2026-03-18","23:27:19",""
"1576930","14.5099","0.0007","16.7775","0.0008","21.5228","0.001","88.188","0.002","79.16","0.002","76.431","0.002","5002","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","7","","- C142 H242 Al2 N18 Na2 O4 Si6 -","- C142 H242 Al2 N18 Na2 O4 Si6 -","- C142 H242 Al2 N18 Na2 O4 Si6 -","1","0.5","","Ludwig, Moritz; Voigtland, Johannes; Vasko, Petra; Stigler, Sebastian; Inoue, Shigeyoshi","Alumanyl silanides as multifunctional reagents for olefin cycloaddition, CO hydrosilylation, and reductive CO coupling.","Chemical science","2026","17","11","5463","5473","10.1039/d5sc09910b","","x-ray","0.71073","MoKα","","0.0609","0.0503","","","0.1519","0.1631","","","","","","1.033","","","","has coordinates,has disorder","305141","2026-03-18","23:27:19",""
"1576931","16.0418","0.0008","19.154","0.001","18.3143","0.0009","90","","91.533","0.002","90","","5625.3","0.5","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","8","","- C100 H170 Al2 N6 Na2 O4 Si6 -","- C100 H170 Al2 N6 Na2 O4 Si6 -","- C200 H340 Al4 N12 Na4 O8 Si12 -","2","0.5","","Ludwig, Moritz; Voigtland, Johannes; Vasko, Petra; Stigler, Sebastian; Inoue, Shigeyoshi","Alumanyl silanides as multifunctional reagents for olefin cycloaddition, CO hydrosilylation, and reductive CO coupling.","Chemical science","2026","17","11","5463","5473","10.1039/d5sc09910b","","x-ray","0.71073","MoKα","","0.0763","0.0711","","","0.1925","0.1978","","","","","","1.049","","","","has coordinates,has disorder","305141","2026-03-18","23:27:19",""
"1576932","12.2812","0.0004","12.5497","0.0004","17.7177","0.0005","75.249","0.002","71.32","0.002","62.721","0.002","2280.26","0.13","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H64 Fe0.06 Li4 N16 Sn9 -","- C16 H64 Fe0.059 Li4 N16 Sn9 -","- C32 H128 Fe0.118 Li8 N32 Sn18 -","2","1","","Fajman, C. E.; Dankert, D. M.; Coburger, P.; Klein, W.; Fässler, T F","Endohedral anionic nine-atom Zintl clusters of the elements tin and lead with lithium counterions.","Chemical science","2026","17","11","5498","5509","10.1039/d5sc08011h","","","0.71073","MoKα","","0.0383","0.0273","","","0.0694","0.0721","","","","","","1.013","","","","has coordinates","305142","2026-03-18","23:28:40",""
"1576933","14.2677","0.0003","17.454","0.0004","18.9631","0.0005","90","","90","","90","","4722.35","0.19","150","2","150","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C16 H64 Li4 N16 Pb9 Pt0.43 -","- C16 H64 Li4 N16 Pb9 Pt0.426 -","- C64 H256 Li16 N64 Pb36 Pt1.704 -","4","0.5","","Fajman, C. E.; Dankert, D. M.; Coburger, P.; Klein, W.; Fässler, T F","Endohedral anionic nine-atom Zintl clusters of the elements tin and lead with lithium counterions.","Chemical science","2026","17","11","5498","5509","10.1039/d5sc08011h","","","0.71073","MoKα","","0.0916","0.0547","","","0.0915","0.1059","","","","","","1.134","","","","has coordinates","305142","2026-03-18","23:28:40",""
"1576934","10.4131","0.0002","25.7429","0.0007","20.7178","0.0004","90","","102.491","0.002","90","","5422.2","0.2","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C27 H60 Fe0.06 K4 N3 O12 Sn9 -","- C27 H60 Fe0.055 K4 N3 O12 Sn9 -","- C108 H240 Fe0.22 K16 N12 O48 Sn36 -","4","1","","Fajman, C. E.; Dankert, D. M.; Coburger, P.; Klein, W.; Fässler, T F","Endohedral anionic nine-atom Zintl clusters of the elements tin and lead with lithium counterions.","Chemical science","2026","17","11","5498","5509","10.1039/d5sc08011h","","","0.71073","MoKα","","0.0529","0.0368","","","0.0825","0.0893","","","","","","1.028","","","","has coordinates,has disorder","305142","2026-03-18","23:28:40",""
"1576935","14.2941","0.0006","17.4447","0.0008","19.0306","0.0011","90","","90","","90","","4745.4","0.4","150","2","150","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C16 H64 Li4 N16 Pb9 Pd0.46 -","- C16 H64 Li4 N16 Pb9 Pd0.46 -","- C64 H256 Li16 N64 Pb36 Pd1.84 -","4","0.5","","Fajman, C. E.; Dankert, D. M.; Coburger, P.; Klein, W.; Fässler, T F","Endohedral anionic nine-atom Zintl clusters of the elements tin and lead with lithium counterions.","Chemical science","2026","17","11","5498","5509","10.1039/d5sc08011h","","","0.71073","MoKα","","0.0741","0.041","","","0.0787","0.089","","","","","","1.024","","","","has coordinates","305142","2026-03-18","23:28:40",""
"1576936","14.3235","0.0004","17.347","0.0004","18.893","0.0005","90","","90","","90","","4694.3","0.2","150","2","150","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C16 H64 Li4 N16 Ni Sn9 -","- C16 H64 Li4 N16 Ni Sn9 -","- C64 H256 Li16 N64 Ni4 Sn36 -","4","0.5","","Fajman, C. E.; Dankert, D. M.; Coburger, P.; Klein, W.; Fässler, T F","Endohedral anionic nine-atom Zintl clusters of the elements tin and lead with lithium counterions.","Chemical science","2026","17","11","5498","5509","10.1039/d5sc08011h","","","0.71073","MoKα","","0.0277","0.0216","","","0.0534","0.0554","","","","","","1.038","","","","has coordinates","305142","2026-03-18","23:28:40",""
"1576937","14.261","0.0004","17.3545","0.0004","18.869","0.0004","90","","90","","90","","4669.9","0.2","150","2","150","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C16 H64 Co0.83 Li4 N16 Sn9 -","- C16 H64 Co0.827 Li4 N16 Sn9 -","- C64 H256 Co3.308 Li16 N64 Sn36 -","4","0.5","","Fajman, C. E.; Dankert, D. M.; Coburger, P.; Klein, W.; Fässler, T F","Endohedral anionic nine-atom Zintl clusters of the elements tin and lead with lithium counterions.","Chemical science","2026","17","11","5498","5509","10.1039/d5sc08011h","","","0.71073","MoKα","","0.046","0.0347","","","0.0714","0.0755","","","","","","1.036","","","","has coordinates","305142","2026-03-18","23:28:40",""
"1576938","14.3052","0.0007","17.3899","0.0007","18.9589","0.0011","90","","90","","90","","4716.3","0.4","150","2","150","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C16 H64 Li4 N16 Pd0.82 Sn9 -","- C16 H64 Li4 N16 Pd0.824 Sn9 -","- C64 H256 Li16 N64 Pd3.296 Sn36 -","4","0.5","","Fajman, C. E.; Dankert, D. M.; Coburger, P.; Klein, W.; Fässler, T F","Endohedral anionic nine-atom Zintl clusters of the elements tin and lead with lithium counterions.","Chemical science","2026","17","11","5498","5509","10.1039/d5sc08011h","","","0.71073","MoKα","","0.0994","0.0526","","","0.1093","0.1288","","","","","","1.019","","","","has coordinates","305142","2026-03-18","23:28:40",""
"1576939","11.8811","0.0007","14.3289","0.0009","22.4754","0.0014","90","","100.081","0.001","90","","3767.2","0.4","172","2","172","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C37 H48 N O Si3 V -","- C37 H48 N O Si3 V -","- C148 H192 N4 O4 Si12 V4 -","4","1","","Hernandez, Shirley; Krivovicheva, Vasilisa; Sousa-Silva, Adenilson; Solans-Monfort, Xavier; Bukhryakov, Konstantin V.","Toward vanadium-mediated alkyne metathesis.","Chemical science","2026","17","18","9132","9137","10.1039/d6sc01683a","","","0.71073","MoKα","","0.0522","0.0376","","","0.0899","0.1","","","","","","1.073","","","","has coordinates","306352","2026-06-05","18:40:33",""
"1576940","11.3327","0.0001","13.7549","0.0003","16.4917","0.0003","79.778","0.002","77.417","0.001","80.974","0.001","2450.38","0.07","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C49 H69 N2 O S Si3 V -","- C49 H69 N2 O S Si3 V -","- C98 H138 N4 O2 S2 Si6 V2 -","2","1","","Hernandez, Shirley; Krivovicheva, Vasilisa; Sousa-Silva, Adenilson; Solans-Monfort, Xavier; Bukhryakov, Konstantin V.","Toward vanadium-mediated alkyne metathesis.","Chemical science","2026","17","18","9132","9137","10.1039/d6sc01683a","","x-ray","1.54184","CuKα","","0.0398","0.036","","","0.0911","0.0932","","","","","","1.061","","","","has coordinates","306352","2026-06-05","18:40:33",""
"1576941","22.221","0.0002","10.8997","0.0001","20.6591","0.0002","90","","114.065","0.001","90","","4568.78","0.08","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H57 N2 O4 Si2 V -","- C48 H57 N2 O4 Si2 V -","- C192 H228 N8 O16 Si8 V4 -","4","1","","Hernandez, Shirley; Krivovicheva, Vasilisa; Sousa-Silva, Adenilson; Solans-Monfort, Xavier; Bukhryakov, Konstantin V.","Toward vanadium-mediated alkyne metathesis.","Chemical science","2026","17","18","9132","9137","10.1039/d6sc01683a","","x-ray","1.54184","CuKα","","0.0394","0.0344","","","0.085","0.0874","","","","","","1.029","","","","has coordinates","306352","2026-06-05","18:40:33",""
"1576942","11.1289","0.0011","30.044","0.003","13.4314","0.0014","90","","99.874","0.002","90","","4424.4","0.8","172","2","172","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C47 H55 N2 O2 S Si2 V -","- C47 H55 N2 O2 S Si2 V -","- C188 H220 N8 O8 S4 Si8 V4 -","4","1","","Hernandez, Shirley; Krivovicheva, Vasilisa; Sousa-Silva, Adenilson; Solans-Monfort, Xavier; Bukhryakov, Konstantin V.","Toward vanadium-mediated alkyne metathesis.","Chemical science","2026","17","18","9132","9137","10.1039/d6sc01683a","","","0.71073","MoKα","","0.0894","0.0481","","","0.0931","0.1111","","","","","","1.017","","","","has coordinates","306352","2026-06-05","18:40:33",""
"1576943","21.1091","0.001","10.506","0.0002","36.0901","0.0017","90","","142.997","0.01","90","","4817.1","1.2","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C47 H55 N2 O3 Si2 V -","- C47 H55 N2 O3 Si2 V -","- C188 H220 N8 O12 Si8 V4 -","4","1","","Hernandez, Shirley; Krivovicheva, Vasilisa; Sousa-Silva, Adenilson; Solans-Monfort, Xavier; Bukhryakov, Konstantin V.","Toward vanadium-mediated alkyne metathesis.","Chemical science","2026","17","18","9132","9137","10.1039/d6sc01683a","","x-ray","1.54184","CuKα","","0.0515","0.0396","","","0.1012","0.1071","","","","","","1.048","","","","has coordinates","306352","2026-06-05","18:40:33",""
"1576944","7.0138","0.0001","14.1045","0.0001","19.1791","0.0002","109.917","0.001","99.218","0.001","92.235","0.001","1751.82","0.04","100","0.1","100","0.1","","","","","","","","5","P 1","P 1","1","","","","- C37 H32 F3 N3 O12 -","- C37 H32 F3 N3 O12 -","- C74 H64 F6 N6 O24 -","2","2","","Ganzoni, Rudolf L. Z.; Kosar, Miroslav; Han, Yongqi; Vitale, Rosa Maria; Amodeo, Pietro; Li, Xiaoting; Zha, Zhonghua; Patej, Kacper J.; Kicin, Bilal; Strunden, Taddäus E N; Reichert, Lisa; Gómez-Bouzó, Uxía; Perera, Themiya P.; Atz, Kenneth; Guba, Wolfgang; Bartelmus, Christian; Bigler, Raphael; Tosatti, Paolo; Bachmann, Stephan; Hua, Tian; Sykes, David A.; Veprintsev, Dmitry B.; Grether, Uwe; Carreira, Erick M.","Single-position ligand modifications tune CB<sub>2</sub>R activity by targeting the toggle switch.","Chemical science","2026","17","18","8976","8988","10.1039/d6sc00062b","","x-ray","1.54184","CuKα","","0.0462","0.0428","","","0.1171","0.1206","","","","","","1.019","","","","has coordinates,has disorder","306341","2026-06-05","18:39:03",""
"1576945","17.536","0.002","20.071","0.002","26.605","0.003","90","","102.569","0.003","90","","9139.6","1.7","273.15","","273.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C62 H104 Ag13 F9 N8 O6 S10 -","- C62 H104 Ag13 F9 N8 O6 S10 -","- C248 H416 Ag52 F36 N32 O24 S40 -","4","0.5","","Irie, Tsukasa; Nakatani, Riki; K S, Sreelakshmi; Kondo, Ayumu; Kawawaki, Tokuhisa; Takahashi, Shuntaro; Das, Saikat; Negishi, Yuichi","Precision ladder-structured silver cluster assembly bridged by tetrazine linkers for highly sensitive and selective luminescence recognition of amino acids.","Nanoscale","2026","18","16","8789","8800","10.1039/d6nr00302h","","","0.71073","MoKα","","0.1025","0.0525","","","0.0996","0.1172","","","","","","1.005","","","","has coordinates,has disorder","305835","2026-05-05","09:26:44",""
"1576946","28.614","0.003","8.9784","0.001","11.6868","0.0013","90","","90","","90","","3002.4","0.6","173","2","173.15","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C15 H15 F5 N2 S -","- C15 H15 F5 N2 S -","- C120 H120 F40 N16 S8 -","8","1","","Bacho, Muhamad Zulfaqar; Wu, Shiwei; Muramatsu, Takuya; Nagababu, Chavakula; Harano, Daiki; Ochiai, Seishu; Shibata, Norio","Bidirectional skeletal remodelling of SF<sub>5</sub>-nitrobenzenes into azepine, bicyclic, and benzimidazole frameworks.","Chemical science","2026","17","21","10434","10440","10.1039/d6sc01441k","","","0.71075","MoKα","","0.1295","0.082","","","0.2374","0.316","","","","","","1.094","","","","has coordinates","306353","2026-06-05","18:40:37",""
"1576947","17.5969","0.0006","21.9736","0.0007","22.7357","0.0009","102.382","0.0019","93.1489","0.0018","94.7641","0.0016","8533.1","0.5","170","","170","","","","","","","","","6","P -1","-P 1","2","","","","- C141.9 H137.9 B Cl29.7 F4 N29 -","- C136.9 H132.9 B Cl14.7 F4 N29 -","- C273.8 H265.8 B2 Cl29.4 F8 N58 -","2","1","","Lu, Yuyang; Zhou, Ping; Tang, Hua; Wu, Yating; Kuang, Yueyan; Cao, Ze; Liu, Jiyong; Wu, Guangcheng; Chen, Hongliang; Li, Hao","Neutral anion-detecting organic cages based on anion-π interactions.","Chemical science","2026","17","12","5993","6004","10.1039/d5sc08157b","","x-ray","1.34139","GaKα","","0.1168","0.076","","","0.2079","0.2342","","","","","","1.053","","","","has coordinates,has disorder","305166","2026-03-25","23:27:56",""
"1576948","17.6131","0.001","22.0166","0.0014","22.7591","0.0014","102.389","0.003","93.067","0.003","94.661","0.002","8568.7","0.9","170","","170","","","","","","","","","5","P -1","-P 1","2","","","","- C141.29 H137.29 Cl28.86 N29 O4 -","- C136.788 H132.788 Cl15.364 N29 O4 -","- C273.576 H265.576 Cl30.728 N58 O8 -","2","1","","Lu, Yuyang; Zhou, Ping; Tang, Hua; Wu, Yating; Kuang, Yueyan; Cao, Ze; Liu, Jiyong; Wu, Guangcheng; Chen, Hongliang; Li, Hao","Neutral anion-detecting organic cages based on anion-π interactions.","Chemical science","2026","17","12","5993","6004","10.1039/d5sc08157b","","x-ray","1.34139","GaKα","","0.122","0.0743","","","0.1904","0.2189","","","","","","1.049","","","","has coordinates,has disorder","305166","2026-03-25","23:27:56",""
"1576949","14.2814","0.0011","13.6741","0.0009","14.316","0.0016","90","","119.883","0.002","90","","2424","0.4","293","0.1","293","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C9 H20 Br4 Mn N2 -","- C9 H20 Br4 Mn N2 -","- C54 H120 Br24 Mn6 N12 -","6","3","","Yuan, Jiayi; Xu, Yu; Zhai, Lu; Hei, Shan-Shan; Huang, Jianyi; Ning, Weihua; Cai, Hong-Ling; Ren, Xiao-Ming","Rotational symmetry dication assembling ferroelectric, thermochromic and circularly polarized luminescent multifunctional manganese(ii) bromide hybrid.","Chemical science","2026","17","12","5965","5971","10.1039/d5sc08499g","","x-ray","0.71073","MoKα","","0.1151","0.093","","","0.227","0.2419","","","","","","1.034","","","","has coordinates","305167","2026-03-25","23:28:05",""
"1576950","14.4907","0.0016","14.4907","0.0016","13.6423","0.0018","90","","90","","120","","2480.8","0.5","438","2","438","2","","","","","","","","5","P 3 c 1","P 3 -2""c","158","","","","- C9 H20 Br4 Mn N2 -","- C9 H20 Br4 Mn N2 -","- C54 H120 Br24 Mn6 N12 -","6","1","","Yuan, Jiayi; Xu, Yu; Zhai, Lu; Hei, Shan-Shan; Huang, Jianyi; Ning, Weihua; Cai, Hong-Ling; Ren, Xiao-Ming","Rotational symmetry dication assembling ferroelectric, thermochromic and circularly polarized luminescent multifunctional manganese(ii) bromide hybrid.","Chemical science","2026","17","12","5965","5971","10.1039/d5sc08499g","","x-ray","0.71073","MoKα","","0.1841","0.0954","","","0.263","0.3199","","","","","","1.069","","","","has coordinates,has disorder","305167","2026-03-25","23:28:05",""
"1576951","13.181","0.0002","16.2119","0.0004","16.3726","0.0006","94.325","0.002","92.658","0.002","90.373","0.002","3484.75","0.16","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C88 H72 F0.5 N8 O12 -","- C88 H60 F12 N8 -","- C176 H120 F24 N16 -","2","1","","Dash, Om Prakash; Singh, Anurag; Shukla, Rahul K.; Volla, Chandra M. R.","Ru(ii)-catalyzed regioselective (3 + 2)-annulation of anilines with allenes to access 2-vinylindoles.","Chemical science","2026","17","12","5944","5952","10.1039/d5sc06303e","","x-ray","0.71073","MoKα","","0.0855","0.0666","","","0.169","0.1804","","","","","","1.064","","","","has coordinates","305336","2026-04-05","11:53:20",""
"1576952","7.9808","0.0005","11.7665","0.0009","13.3819","0.001","89.34","0.006","80.584","0.006","77.853","0.006","1211.61","0.15","226","30","226","30","","","","","","","","3","P -1","-P 1","2","","","","- C30 H25 N5 -","- C30 H25 N5 -","- C60 H50 N10 -","2","1","","Dash, Om Prakash; Singh, Anurag; Shukla, Rahul K.; Volla, Chandra M. R.","Ru(ii)-catalyzed regioselective (3 + 2)-annulation of anilines with allenes to access 2-vinylindoles.","Chemical science","2026","17","12","5944","5952","10.1039/d5sc06303e","","x-ray","0.71073","MoKα","","0.1152","0.0576","","","0.1356","0.166","","","","","","0.989","","","","has coordinates","305336","2026-04-05","11:53:20",""
"1576953","8.70612","0.00015","10.77758","0.00019","26.5637","0.0004","90","","99.3234","0.0016","90","","2459.57","0.07","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H35 F3 O8 -","- C23 H35 F3 O8 -","- C92 H140 F12 O32 -","4","1","","Ghosh, Krishna Gopal; Das, Debabrata; Srinivasu, Vinjamuri; Pal, Koustav; Sureshkumar, Devarajulu","Photocatalytic remote C(sp<sup>3</sup>)-H alkylation of long-chain alkenes: A tandem multicomponent approach <i>via</i> radical translocation.","Chemical science","2026","17","12","5888","5898","10.1039/d5sc08683c","","x-ray","1.54184","CuKα","","0.0564","0.051","","","0.1378","0.1446","","","","","","1.095","","","","has coordinates","305169","2026-03-25","23:28:26",""
"1576954","12.8044","0.0003","19.2055","0.0004","13.1893","0.0003","90","","114.067","0.002","90","","2961.49","0.12","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H30 F6 N2 O4 -","- C30 H30 F6 N2 O4 -","- C120 H120 F24 N8 O16 -","4","1","","Ghosh, Krishna Gopal; Das, Debabrata; Srinivasu, Vinjamuri; Pal, Koustav; Sureshkumar, Devarajulu","Photocatalytic remote C(sp<sup>3</sup>)-H alkylation of long-chain alkenes: A tandem multicomponent approach <i>via</i> radical translocation.","Chemical science","2026","17","12","5888","5898","10.1039/d5sc08683c","","x-ray","1.54184","CuKα","","0.0803","0.0657","","","0.1494","0.1578","","","","","","1.057","","","","has coordinates","305169","2026-03-25","23:28:26",""
"1576955","10.036","0.0002","15.9655","0.0003","11.917","0.0002","90","","91.246","0.002","90","","1909.01","0.06","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H30 N4 O28 V10 -","- C24 H30 N4 O28 V10 -","- C48 H60 N8 O56 V20 -","2","0.5","","Zhang, Ze-Xun; Zhang, Xiao-Yue; Cai, Ping-Wei; Zheng, Shou-Tian; Sun, Cai","A thermochromic polyoxovanadate with a 200 000-fold conductivity gain for boosting zinc-ion battery performance.","Chemical science","2026","17","19","9711","9719","10.1039/d6sc01000h","","","0.71073","MoKα","","0.0638","0.0386","","","0.0828","0.1003","","","","","","1.144","","","","has coordinates","306313","2026-06-05","18:34:41",""
"1576956","10.024","0.0002","15.9986","0.0003","11.9042","0.0002","90","","91.101","0.002","90","","1908.72","0.06","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H30 N4 O28 V10 -","- C24 H30 N4 O28 V10 -","- C48 H60 N8 O56 V20 -","2","0.5","","Zhang, Ze-Xun; Zhang, Xiao-Yue; Cai, Ping-Wei; Zheng, Shou-Tian; Sun, Cai","A thermochromic polyoxovanadate with a 200 000-fold conductivity gain for boosting zinc-ion battery performance.","Chemical science","2026","17","19","9711","9719","10.1039/d6sc01000h","","","0.71073","MoKα","","0.1006","0.0576","","","0.1313","0.1623","","","","","","1.187","","","","has coordinates","306313","2026-06-05","18:34:41",""
"1576957","10.1405","0.0003","19.2601","0.0005","17.2094","0.0006","90","","95.185","0.001","90","","3347.36","0.18","150","","150","","","","","","","","","6","P 1 21 1","P 2yb","4","","ZnSm","","- C32 H29 N4 O12 Sm Zn -","- C32 H29 N4 O12 Sm Zn -","- C128 H116 N16 O48 Sm4 Zn4 -","4","2","","Sun, Rong; Huang, Hong; Xia, Ye; Liu, Youchao; Tao, Xingquan; Zhang, Jun-Long; Wang, Bing-Wu; Gao, Song","A molecular dual-center emitter for ratiometric optical thermometry.","Chemical science","2026","17","12","6079","6085","10.1039/d5sc09574c","","","0.71073","MoKα","","0.0589","0.051","","","0.1247","0.1307","","","","","","1.075","","","","has coordinates","305171","2026-03-25","23:28:45",""
"1576958","10.0973","0.0003","19.1846","0.0004","17.427","0.0004","90","","94.501","0.002","90","","3365.42","0.14","180","","180","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H29 Gd N4 O12 Zn -","- C32 H29 Gd N4 O12 Zn -","- C128 H116 Gd4 N16 O48 Zn4 -","4","1","","Sun, Rong; Huang, Hong; Xia, Ye; Liu, Youchao; Tao, Xingquan; Zhang, Jun-Long; Wang, Bing-Wu; Gao, Song","A molecular dual-center emitter for ratiometric optical thermometry.","Chemical science","2026","17","12","6079","6085","10.1039/d5sc09574c","","x-ray","0.71073","MoKα","","0.0465","0.0348","","","0.0683","0.0716","","","","","","1.108","","","","has coordinates,has disorder","305171","2026-03-25","23:28:45",""
"1576959","10.688","0.008","15.418","0.011","22.417","0.018","90","","103.354","0.009","90","","3594","5","150","2","149.99","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H33 F10 Ir N5 P -","- C36 H33 F10 Ir N5 P -","- C144 H132 F40 Ir4 N20 P4 -","4","1","","Phan, Son N. T.; Dang, Vinh Q.; Teets, Thomas S.","On-complex three-component cascade reactions involving phosphorescent cyclometalated Ir(iii) chloro-isocyanide complexes, nitriles, and propylamine.","Chemical science","2026","17","19","9591","9599","10.1039/d6sc00822d","","","0.71073","MoKα","","0.0446","0.0316","","","0.0709","0.0753","","","","","","1.005","","","","has coordinates","306311","2026-06-05","18:34:33",""
"1576960","13.2853","0.0005","22.0638","0.0007","13.3648","0.0004","90","","98.195","0.001","90","","3877.5","0.2","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H34 Cl4 F10 Ir N4 P -","- C32 H34 Cl4 F10 Ir N4 P -","- C128 H136 Cl16 F40 Ir4 N16 P4 -","4","1","","Phan, Son N. T.; Dang, Vinh Q.; Teets, Thomas S.","On-complex three-component cascade reactions involving phosphorescent cyclometalated Ir(iii) chloro-isocyanide complexes, nitriles, and propylamine.","Chemical science","2026","17","19","9591","9599","10.1039/d6sc00822d","","","0.71073","MoKα","","0.0585","0.0506","","","0.1353","0.1412","","","","","","1.059","","","","has coordinates,has disorder","306311","2026-06-05","18:34:33",""
"1576961","18.1935","0.0012","30.004","0.002","12.5245","0.0008","90","","90","","90","","6836.8","0.8","150","2","150","","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C33 H34 Cl3 Ir N7 -","- C33 H34 Cl3 Ir N7 -","- C264 H272 Cl24 Ir8 N56 -","8","1","","Phan, Son N. T.; Dang, Vinh Q.; Teets, Thomas S.","On-complex three-component cascade reactions involving phosphorescent cyclometalated Ir(iii) chloro-isocyanide complexes, nitriles, and propylamine.","Chemical science","2026","17","19","9591","9599","10.1039/d6sc00822d","","","0.71073","MoKα","","0.0929","0.0446","","","0.0986","0.1214","","","","","","1.044","","","","has coordinates,has disorder","306311","2026-06-05","18:34:33",""
"1576962","9.8521","0.0004","11.6556","0.0005","18.7639","0.0008","83.419","0.001","77.668","0.001","88.607","0.001","2091.11","0.15","150","2","149.99","","","","","","","","","7","P -1","-P 1","2","","","","- C42 H37 Cl2 F10 Ir N5 P -","- C42 H37 Cl2 F10 Ir N5 P -","- C84 H74 Cl4 F20 Ir2 N10 P2 -","2","1","","Phan, Son N. T.; Dang, Vinh Q.; Teets, Thomas S.","On-complex three-component cascade reactions involving phosphorescent cyclometalated Ir(iii) chloro-isocyanide complexes, nitriles, and propylamine.","Chemical science","2026","17","19","9591","9599","10.1039/d6sc00822d","","","0.71073","MoKα","","0.0268","0.0238","","","0.0565","0.0579","","","","","","1.051","","","","has coordinates","306311","2026-06-05","18:34:33",""
"1576963","12.3528","0.0017","20.663","0.003","15.486","0.002","90","","103.924","0.002","90","","3836.6","0.9","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H37 F10 Ir N5 P -","- C38 H37 F10 Ir N5 P -","- C152 H148 F40 Ir4 N20 P4 -","4","1","","Phan, Son N. T.; Dang, Vinh Q.; Teets, Thomas S.","On-complex three-component cascade reactions involving phosphorescent cyclometalated Ir(iii) chloro-isocyanide complexes, nitriles, and propylamine.","Chemical science","2026","17","19","9591","9599","10.1039/d6sc00822d","","","0.71073","MoKα","","0.0459","0.029","","","0.0535","0.0577","","","","","","0.966","","","","has coordinates","306311","2026-06-05","18:34:33",""
"1576964","9.4811","0.0005","14.0699","0.0007","25.9038","0.0014","90","","95.901","0.001","90","","3437.2","0.3","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C35 H30 F4 Ir N5 O -","- C35 H30 F4 Ir N5 O -","- C140 H120 F16 Ir4 N20 O4 -","4","1","","Phan, Son N. T.; Dang, Vinh Q.; Teets, Thomas S.","On-complex three-component cascade reactions involving phosphorescent cyclometalated Ir(iii) chloro-isocyanide complexes, nitriles, and propylamine.","Chemical science","2026","17","19","9591","9599","10.1039/d6sc00822d","","","0.71073","MoKα","","0.0396","0.0259","","","0.056","0.0601","","","","","","0.993","","","","has coordinates,has disorder","306311","2026-06-05","18:34:33",""
"1576965","10.8929","0.0008","31.96","0.002","12.6053","0.0009","90","","115.058","0.001","90","","3975.3","0.5","150.01","","150.01","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H41 F10 Ir N5 P -","- C40 H41 F10 Ir N5 P -","- C160 H164 F40 Ir4 N20 P4 -","4","1","","Phan, Son N. T.; Dang, Vinh Q.; Teets, Thomas S.","On-complex three-component cascade reactions involving phosphorescent cyclometalated Ir(iii) chloro-isocyanide complexes, nitriles, and propylamine.","Chemical science","2026","17","19","9591","9599","10.1039/d6sc00822d","","","0.71073","MoKα","","0.0341","0.0263","","","0.0505","0.0525","","","","","","1.063","","","","has coordinates","306311","2026-06-05","18:34:33",""
"1576966","6.9092","0.0002","7.4194","0.0002","16.6957","0.0005","96.226","0.002","91.986","0.002","106.077","0.002","815.66","0.04","300.1","0.7","300.1","0.7","","","","","","","","4","P -1","-P 1","2","","","","- C34 H38 S2 Si2 -","- C34 H38 S2 Si2 -","- C34 H38 S2 Si2 -","1","0.5","","Lekavičius, Justas; Radiunas, Edvinas; Kreiza, Gediminas; Jozeliūnaitė, Augustina; Orentas, Edvinas; Kazlauskas, Karolis","Aggregation favors singlet formation in TES-ADT triplet annihilator for photon upconversion.","Chemical science","2026","17","12","6230","6237","10.1039/d5sc07013a","","x-ray","1.54184","CuKα","","0.1193","0.1122","","","0.3878","0.3991","","","","","","1.865","","","","has coordinates","305173","2026-03-25","23:29:18",""
"1576967","17.0458","0.0002","17.9934","0.0002","22.7406","0.0003","90","","90","","90","","6974.81","0.15","153","2","153","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C33 H37 F9 I N3 O4 S -","- C33 H37 F9 I N3 O4 S -","- C264 H296 F72 I8 N24 O32 S8 -","8","2","","Nambu, Ryoga; Kikuchi, Jun; Matsumoto, Arimasa; Yoshikai, Naohiko","Carbon-iodine atropisomerism on triazole and triazolium frameworks: a breathing axle with divergent adaptivity.","Chemical science","2026","17","12","6109","6115","10.1039/d5sc09936f","","","0.71073","MoKα","","0.0428","0.0363","","","0.0877","0.0914","","","","","","1.053","","","","has coordinates,has disorder","305174","2026-03-25","23:29:37",""
"1576968","13.07355","0.00016","16.114","0.0002","16.95238","0.00019","63.4079","0.0012","75.5952","0.001","76.6091","0.0011","3063.18","0.07","153","","153","2","","","","","","","","7","P -1","-P 1","2","","","","- C63 H70 Cl2 F12 I2 N6 O2 -","- C63 H70 Cl2 F12 I2 N6 O2 -","- C126 H140 Cl4 F24 I4 N12 O4 -","2","1","","Nambu, Ryoga; Kikuchi, Jun; Matsumoto, Arimasa; Yoshikai, Naohiko","Carbon-iodine atropisomerism on triazole and triazolium frameworks: a breathing axle with divergent adaptivity.","Chemical science","2026","17","12","6109","6115","10.1039/d5sc09936f","","","0.71073","MoKα","","0.0444","0.0392","","","0.1055","0.1107","","","","","","1.034","","","","has coordinates,has disorder","305174","2026-03-25","23:29:37",""
"1576969","18.3772","0.0006","8.0425","0.0003","24.7367","0.0008","90","","90","","90","","3656.1","0.2","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C28 H16 S -","- C28 H16 S -","- C224 H128 S8 -","8","1","","Shi, Xiaoli; Mei, Ling; Dong, Chenxi; Zhao, Chunmei; Chen, Chen; Xu, Yimin; Xu, Wan; Li, Chunli; Wang, Guangxia; Ma, Zhiying; Wang, Hua","Photochemical skeletal editing: one-step transformation of diaryl dithiophenes into regiodefined helicenes.","Chemical science","2026","17","20","10082","10091","10.1039/d6sc01717g","","x-ray","1.54184","CuKα","","0.0669","0.0541","","","0.1518","0.1619","","","","","","1.092","","","","has coordinates","306329","2026-06-05","18:36:54",""
"1576970","10.3233","0.0007","14.2924","0.001","17.4218","0.0012","90","","95.611","0.003","90","","2558.2","0.3","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C36 H22 S2 -","- C36 H22 S2 -","- C144 H88 S8 -","4","1","","Shi, Xiaoli; Mei, Ling; Dong, Chenxi; Zhao, Chunmei; Chen, Chen; Xu, Yimin; Xu, Wan; Li, Chunli; Wang, Guangxia; Ma, Zhiying; Wang, Hua","Photochemical skeletal editing: one-step transformation of diaryl dithiophenes into regiodefined helicenes.","Chemical science","2026","17","20","10082","10091","10.1039/d6sc01717g","","","0.71073","MoKα","","0.0402","0.0352","","","0.093","0.0956","","","","","","1.05","","","","has coordinates","306329","2026-06-05","18:36:54",""
"1576971","37.2215","0.0017","16.0807","0.0007","13.1675","0.0005","90","","81.889","0.002","90","","7802.5","0.6","150","2","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C78 H66 Cl6 S6 Si4 -","- C78 H66 Cl6 S6 Si4 -","- C312 H264 Cl24 S24 Si16 -","4","1","","Shi, Xiaoli; Mei, Ling; Dong, Chenxi; Zhao, Chunmei; Chen, Chen; Xu, Yimin; Xu, Wan; Li, Chunli; Wang, Guangxia; Ma, Zhiying; Wang, Hua","Photochemical skeletal editing: one-step transformation of diaryl dithiophenes into regiodefined helicenes.","Chemical science","2026","17","20","10082","10091","10.1039/d6sc01717g","","","0.71073","MoKα","","0.1729","0.085","","","0.2002","0.2494","","","","","","1.028","","","","has coordinates,has disorder","306329","2026-06-05","18:36:54",""
"1576972","15.3336","0.0016","28.904","0.003","7.6135","0.0008","90","","90","","90","","3374.3","0.6","297","2","297.11","","","","","","","","","3","A e a 2","A 2 -2ab","41","","","","- C25 H16 S -","- C25 H16 S -","- C200 H128 S8 -","8","1","","Shi, Xiaoli; Mei, Ling; Dong, Chenxi; Zhao, Chunmei; Chen, Chen; Xu, Yimin; Xu, Wan; Li, Chunli; Wang, Guangxia; Ma, Zhiying; Wang, Hua","Photochemical skeletal editing: one-step transformation of diaryl dithiophenes into regiodefined helicenes.","Chemical science","2026","17","20","10082","10091","10.1039/d6sc01717g","","","0.71073","MoKα","","0.1178","0.0574","","","0.1059","0.1336","","","","","","1.014","","","","has coordinates","306329","2026-06-05","18:36:54",""
"1576973","13.7281","0.0002","8.2413","0.0001","16.4447","0.0002","90","","91.325","0.001","90","","1860.01","0.04","295.1","0.3","295.1","0.3","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C28 H16 S -","- C28 H16 S -","- C112 H64 S4 -","4","2","","Shi, Xiaoli; Mei, Ling; Dong, Chenxi; Zhao, Chunmei; Chen, Chen; Xu, Yimin; Xu, Wan; Li, Chunli; Wang, Guangxia; Ma, Zhiying; Wang, Hua","Photochemical skeletal editing: one-step transformation of diaryl dithiophenes into regiodefined helicenes.","Chemical science","2026","17","20","10082","10091","10.1039/d6sc01717g","","x-ray","1.54184","CuKα","","0.036","0.0348","","","0.096","0.0971","","","","","","1.072","","","","has coordinates","306329","2026-06-05","18:36:54",""
"1576974","6.5519","0.0002","11.8227","0.0006","25.9099","0.0013","90","","97.126","0.002","90","","1991.51","0.15","150","2","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H18 S -","- C30 H18 S -","- C120 H72 S4 -","4","1","","Shi, Xiaoli; Mei, Ling; Dong, Chenxi; Zhao, Chunmei; Chen, Chen; Xu, Yimin; Xu, Wan; Li, Chunli; Wang, Guangxia; Ma, Zhiying; Wang, Hua","Photochemical skeletal editing: one-step transformation of diaryl dithiophenes into regiodefined helicenes.","Chemical science","2026","17","20","10082","10091","10.1039/d6sc01717g","","","0.71073","MoKα","","0.067","0.042","","","0.0949","0.1063","","","","","","1.034","","","","has coordinates","306329","2026-06-05","18:36:54",""
"1576975","15.9945","0.001","11.1752","0.0007","21.4452","0.001","90","","90","","90","","3833.2","0.4","150","2","150","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C46 H36 S3 Si2 -","- C46 H36 S3 Si2 -","- C184 H144 S12 Si8 -","4","1","","Shi, Xiaoli; Mei, Ling; Dong, Chenxi; Zhao, Chunmei; Chen, Chen; Xu, Yimin; Xu, Wan; Li, Chunli; Wang, Guangxia; Ma, Zhiying; Wang, Hua","Photochemical skeletal editing: one-step transformation of diaryl dithiophenes into regiodefined helicenes.","Chemical science","2026","17","20","10082","10091","10.1039/d6sc01717g","","","0.71073","MoKα","","0.1223","0.0558","","","0.0869","0.1072","","","","","","1.003","","","","has coordinates","306329","2026-06-05","18:36:54",""
"1576976","5.6736","0.0001","17.756","0.0005","18.2577","0.0004","80.892","0.002","86.349","0.002","86.928","0.002","1810.64","0.07","99.98","0.15","99.98","0.15","","","","","","","","5","P -1","-P 1","2","","","","- C23 H17 N O S2 -","- C23 H17 N O S2 -","- C92 H68 N4 O4 S8 -","4","2","","Pattanayak, Pradip; Khapre, Ankur; Ahmad, Shamim; Kumar, Avulu Vinod; Ray, Bishes; Kumar, Satendra; Reddy, Chilla Malla; Chandrasekar, Rajadurai; Purkayastha, Pradipta","Resonator-based add-drop filters enabled by flexible polymorphic crystals with TADF-RTP motifs.","Chemical science","2026","17","19","9516","9525","10.1039/d5sc08545d","","x-ray","1.54184","CuKα","","0.0663","0.0633","","","0.1843","0.1895","","","","","","1.126","","","","has coordinates","306310","2026-06-05","18:34:25",""
"1576977","12.2562","0.0001","14.5123","0.0001","21.9881","0.0001","78.962","0.001","88.986","0.001","74.949","0.001","3704.78","0.05","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C23 H17 N O S2 -","- C23 H17 N O S2 -","- C184 H136 N8 O8 S16 -","8","4","","Pattanayak, Pradip; Khapre, Ankur; Ahmad, Shamim; Kumar, Avulu Vinod; Ray, Bishes; Kumar, Satendra; Reddy, Chilla Malla; Chandrasekar, Rajadurai; Purkayastha, Pradipta","Resonator-based add-drop filters enabled by flexible polymorphic crystals with TADF-RTP motifs.","Chemical science","2026","17","19","9516","9525","10.1039/d5sc08545d","","x-ray","1.54184","CuKα","","0.0462","0.0443","","","0.1274","0.1297","","","","","","1.069","","","","has coordinates","306310","2026-06-05","18:34:25",""
"1576978","8.3962","0.0007","13.2577","0.0013","18.6455","0.0018","80.895","0.003","80.312","0.003","79.112","0.003","1991.9","0.3","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C57 H50 N2 O2 -","- C52 H38 N2 O2 -","- C104 H76 N4 O4 -","2","1","","Ghosh, Chitrak; Chung, Minji; Park, Hayeong; Talreja, Aniket Jitendra; Scherf, Ullrich; Oh, Joon Hak; Samanta, Suman Kalyan","Correction: Polyterrylenes: synthesis and regioregularity effect on p-type charge transport and deep-red light photodetection in OFETs.","Chemical science","2026","17","16","8300","8304","10.1039/d6sc90068b","","","0.71073","MoKα","","0.1246","0.0563","","","0.1252","0.1706","","","","","","1.0502","","","","has coordinates","305773","2026-05-05","08:54:21",""
"1576979","12.9774","0.0002","5.8668","0.0001","21.8939","0.0003","90","","91.185","0.001","90","","1666.55","0.04","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H34 N2 O10 S2 -","- C36 H34 N2 O10 S2 -","- C72 H68 N4 O20 S4 -","2","0.5","","Britton, Hugh C.; Santa Daría, Alberto M; Lyu, Chao; Augusztin, Andras B.; Cowen, Lewis M.; Bučar, Dejan-Krešimir; Tabor, Alethea B.; Schroeder, Bob C.; Gómez, Sandra; Marin-Beloqui, Jose M","Geometric orthogonality as a recipe for efficient intramolecular charge generation in core substituted NDI derivatives.","Chemical science","2026","17","20","10133","10144","10.1039/d6sc00456c","","x-ray","1.54184","CuKα","","0.0391","0.0336","","","0.0826","0.0859","","","","","","1.063","","","","has coordinates,has disorder","306318","2026-06-05","18:35:11",""
"1576980","9.574","0.0004","10.9624","0.0004","12.4555","0.0005","65.247","0.004","75.551","0.003","89.276","0.003","1143.31","0.09","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C56 H50 N2 O10 -","- C56 H50 N2 O10 -","- C56 H50 N2 O10 -","1","0.5","","Britton, Hugh C.; Santa Daría, Alberto M; Lyu, Chao; Augusztin, Andras B.; Cowen, Lewis M.; Bučar, Dejan-Krešimir; Tabor, Alethea B.; Schroeder, Bob C.; Gómez, Sandra; Marin-Beloqui, Jose M","Geometric orthogonality as a recipe for efficient intramolecular charge generation in core substituted NDI derivatives.","Chemical science","2026","17","20","10133","10144","10.1039/d6sc00456c","","x-ray","1.54184","CuKα","","0.0974","0.0777","","","0.2255","0.2467","","","","","","1.051","","","","has coordinates,has disorder","306318","2026-06-05","18:35:11",""
"1576981","12.3074","0.0002","12.7452","0.0002","21.9715","0.0004","73.849","0.002","77.125","0.002","76.785","0.002","3175.7","0.1","150","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C53.33 H41.33 N2 O9.33 -","- C48 H30 N2 O8 -","- C144 H90 N6 O24 -","3","1.5","","Britton, Hugh C.; Santa Daría, Alberto M; Lyu, Chao; Augusztin, Andras B.; Cowen, Lewis M.; Bučar, Dejan-Krešimir; Tabor, Alethea B.; Schroeder, Bob C.; Gómez, Sandra; Marin-Beloqui, Jose M","Geometric orthogonality as a recipe for efficient intramolecular charge generation in core substituted NDI derivatives.","Chemical science","2026","17","20","10133","10144","10.1039/d6sc00456c","","x-ray","1.54184","CuKα","","0.0655","0.0473","","","0.1261","0.1345","","","","","","1.054","","","","has coordinates,has disorder","306318","2026-06-05","18:35:11",""
"1576982","12.6561","0.0001","6.0142","0.0001","22.4821","0.0002","90","","92.092","0.001","90","","1710.11","0.03","150","0.1","150","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H38 N2 O10 -","- C40 H38 N2 O10 -","- C80 H76 N4 O20 -","2","0.5","","Britton, Hugh C.; Santa Daría, Alberto M; Lyu, Chao; Augusztin, Andras B.; Cowen, Lewis M.; Bučar, Dejan-Krešimir; Tabor, Alethea B.; Schroeder, Bob C.; Gómez, Sandra; Marin-Beloqui, Jose M","Geometric orthogonality as a recipe for efficient intramolecular charge generation in core substituted NDI derivatives.","Chemical science","2026","17","20","10133","10144","10.1039/d6sc00456c","","x-ray","1.54184","CuKα","","0.0432","0.0361","","","0.0948","0.0999","","","","","","1.05","","","","has coordinates","306318","2026-06-05","18:35:11",""
"1576983","6.0357","0.0015","19.028","0.005","11.731","0.003","90","","92.745","0.012","90","","1345.7","0.6","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H15 N O3 Si -","- C12 H15 N O3 Si -","- C48 H60 N4 O12 Si4 -","4","1","","Liu, Xiao-Bo; Bilal, Muhammad; Zuo, Jiaying; Yu, Ya-Xin; Wu, Yu-Juan; Shen, Boming; Shen, Peng-Hui; Xu, Hua-Jian; Liang, Yu-Feng","Nickel-catalyzed hydroxymethylation with α-silicon <i>N</i>-methoxyphthalimides <i>via</i> radical Brook rearrangement.","Chemical science","2026","17","19","9653","9662","10.1039/d6sc00986g","","","1.54178","CuKα","","0.0648","0.0499","","","0.1396","0.1526","","","","","","1.083","","","","has coordinates","306308","2026-06-05","18:34:01",""
"1576984","18.1532","0.001","10.6741","0.0006","17.9568","0.001","90","","96.525","0.001","90","","3456.9","0.3","296","2","296.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H40 B2 Co F8 N6 -","- C34 H40 B2 Co F8 N6 -","- C136 H160 B8 Co4 F32 N24 -","4","0.5","","Ghosh, Subrata; Oyala, Paul H.; Fizer, Maksym; Dergachev, Vsevolod D.; Varganov, Sergey A.; Frank, Natia L.","Quantum coherence enhancement through control of metal-ligand covalency: modulating spin-orbit coupling in isostructural molecular qubits.","Chemical science","2026","17","20","10029","10046","10.1039/d5sc09844k","","","0.71073","MoKα","","0.0965","0.0627","","","0.173","0.1972","","","","","","1.069","","","","has coordinates","306323","2026-06-05","18:35:38",""
"1576985","18.209","0.003","10.6641","0.0015","17.517","0.003","90","","96.698","0.002","90","","3378.3","0.9","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H40 B2 Cu F8 N6 -","- C34 H40 B2 Cu F8 N6 -","- C136 H160 B8 Cu4 F32 N24 -","4","0.5","","Ghosh, Subrata; Oyala, Paul H.; Fizer, Maksym; Dergachev, Vsevolod D.; Varganov, Sergey A.; Frank, Natia L.","Quantum coherence enhancement through control of metal-ligand covalency: modulating spin-orbit coupling in isostructural molecular qubits.","Chemical science","2026","17","20","10029","10046","10.1039/d5sc09844k","","","0.71073","MoKα","","0.072","0.057","","","0.1438","0.1562","","","","","","1.032","","","","has coordinates","306323","2026-06-05","18:35:38",""
"1576986","18.1452","0.0013","10.574","0.0008","17.5799","0.0013","90","","96.729","0.001","90","","3349.8","0.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H40 B2 Co F8 N6 -","- C34 H40 B2 Co F8 N6 -","- C136 H160 B8 Co4 F32 N24 -","4","0.5","","Ghosh, Subrata; Oyala, Paul H.; Fizer, Maksym; Dergachev, Vsevolod D.; Varganov, Sergey A.; Frank, Natia L.","Quantum coherence enhancement through control of metal-ligand covalency: modulating spin-orbit coupling in isostructural molecular qubits.","Chemical science","2026","17","20","10029","10046","10.1039/d5sc09844k","","","0.71073","MoKα","","0.0604","0.0421","","","0.0967","0.106","","","","","","1.025","","","","has coordinates","306323","2026-06-05","18:35:38",""
"1576987","11.5913","0.0001","18.9089","0.0001","15.3226","0.0001","90","","98.04","0.001","90","","3325.38","0.04","105.15","","105","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C70 H94 Cs2 Fe2 N4 -","- C70 H94 Cs2 Fe2 N4 -","- C140 H188 Cs4 Fe4 N8 -","2","0.5","","Hidalgo, Nereida; Southwell, Kendal W.; Donnelly, Ryan S.; Mercado, Brandon Q.; Krajewski, Sebastian M.; Wang, Xiaoping; Holland, Patrick L.","Alkali metal cation effects for rapid C-H activation by iron(0) complexes.","Chemical science","2026","17","20","10061","10066","10.1039/d6sc01470d","","","1.54184","CuKα","","0.022","0.0212","","","0.0478","0.0483","","","","","","1.0794","","","","has coordinates","306327","2026-06-05","18:36:39",""
"1576988","11.5913","0.0001","18.9089","0.0001","15.3226","0.0001","90","","98.04","0.001","90","","3325.38","0.04","105","2","105","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C70 H94 Cs2 Fe2 N4 -","- C70 H94 Cs2 Fe2 N4 -","- C140 H188 Cs4 Fe4 N8 -","2","0.5","","Hidalgo, Nereida; Southwell, Kendal W.; Donnelly, Ryan S.; Mercado, Brandon Q.; Krajewski, Sebastian M.; Wang, Xiaoping; Holland, Patrick L.","Alkali metal cation effects for rapid C-H activation by iron(0) complexes.","Chemical science","2026","17","20","10061","10066","10.1039/d6sc01470d","","","1.54184","CuKα","","0.026","0.0252","","","0.0604","0.061","","","","","","1.056","","","","has coordinates","306327","2026-06-05","18:36:39",""
"1576989","11.5913","0.0001","18.9089","0.0001","15.3226","0.0001","90","","98.04","0.001","90","","3325.38","0.04","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C70 H94 Cs2 Fe2 N4 -","- C70 H94 Cs2 Fe2 N4 -","- C140 H188 Cs4 Fe4 N8 -","2","0.5","","Hidalgo, Nereida; Southwell, Kendal W.; Donnelly, Ryan S.; Mercado, Brandon Q.; Krajewski, Sebastian M.; Wang, Xiaoping; Holland, Patrick L.","Alkali metal cation effects for rapid C-H activation by iron(0) complexes.","Chemical science","2026","17","20","10061","10066","10.1039/d6sc01470d","","","1","neutrons","","0.125","0.097","","","0.1945","0.2081","","","","","","0.93","","","","has coordinates","306327","2026-06-05","18:36:39",""
"1576990","23.9088","0.0004","26.2643","0.0005","25.6126","0.0005","90","","90","","90","","16083.4","0.5","107.2","0.6","107.2","0.6","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C71.5 H80 Cs Fe N2 O12 -","- C57.5 H64 Cs Fe N2 O12 -","- C460 H512 Cs8 Fe8 N16 O96 -","8","1","","Hidalgo, Nereida; Southwell, Kendal W.; Donnelly, Ryan S.; Mercado, Brandon Q.; Krajewski, Sebastian M.; Wang, Xiaoping; Holland, Patrick L.","Alkali metal cation effects for rapid C-H activation by iron(0) complexes.","Chemical science","2026","17","20","10061","10066","10.1039/d6sc01470d","","x-ray","1.54184","CuKα","","0.1588","0.1408","","","0.4","0.4149","","","","","","1.68","","","","has coordinates,has disorder","306327","2026-06-05","18:36:39",""
"1576991","12.3196","0.0003","12.4076","0.0003","13.5563","0.0004","66.048","0.003","65.925","0.003","62.061","0.003","1611.03","0.09","108.7","0.3","108.7","0.3","","","","","","","","5","P -1","-P 1","2","","","","- C70 H94 Fe2 K2 N4 -","- C70 H94 Fe2 K2 N4 -","- C70 H94 Fe2 K2 N4 -","1","0.5","","Hidalgo, Nereida; Southwell, Kendal W.; Donnelly, Ryan S.; Mercado, Brandon Q.; Krajewski, Sebastian M.; Wang, Xiaoping; Holland, Patrick L.","Alkali metal cation effects for rapid C-H activation by iron(0) complexes.","Chemical science","2026","17","20","10061","10066","10.1039/d6sc01470d","","x-ray","1.54184","CuKα","","0.0893","0.0879","","","0.2368","0.2375","","","","","","1.119","","","","has coordinates","306327","2026-06-05","18:36:39",""
"1576992","12.5751","0.0003","17.5962","0.0006","21.7879","0.0005","90","","97.665","0.002","90","","4778","0.2","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C46.5 H71 Fe K N2 O6 -","- C46.5 H71 Fe K N2 O6 -","- C186 H284 Fe4 K4 N8 O24 -","4","2","","Hidalgo, Nereida; Southwell, Kendal W.; Donnelly, Ryan S.; Mercado, Brandon Q.; Krajewski, Sebastian M.; Wang, Xiaoping; Holland, Patrick L.","Alkali metal cation effects for rapid C-H activation by iron(0) complexes.","Chemical science","2026","17","20","10061","10066","10.1039/d6sc01470d","","x-ray","1.54184","CuKα","","0.1917","0.1097","","","0.2408","0.2863","","","","","","1.081","","","","has coordinates","306327","2026-06-05","18:36:39",""
"1576993","20.1945","0.0002","25.8326","0.0002","26.0611","0.0002","90","","90","","90","","13595.5","0.2","107.1","0.4","107.1","0.4","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C65.5 H105 Fe N2 O12 Rb -","- C65.5 H105 Fe N2 O12 Rb -","- C524 H840 Fe8 N16 O96 Rb8 -","8","2","","Hidalgo, Nereida; Southwell, Kendal W.; Donnelly, Ryan S.; Mercado, Brandon Q.; Krajewski, Sebastian M.; Wang, Xiaoping; Holland, Patrick L.","Alkali metal cation effects for rapid C-H activation by iron(0) complexes.","Chemical science","2026","17","20","10061","10066","10.1039/d6sc01470d","","x-ray","1.54184","CuKα","","0.1268","0.0858","","","0.1611","0.1812","","","","","","1.121","","","","has coordinates,has disorder","306327","2026-06-05","18:36:39",""
"1576994","12.31","0.0004","12.4451","0.0004","13.6698","0.0006","66.204","0.004","66.31","0.004","62.018","0.004","1632.61","0.13","99.98","0.16","99.98","0.16","","","","","","","","5","P -1","-P 1","2","","","","- C70 H94 Fe2 N4 Rb2 -","- C70 H94 Fe2 N4 Rb2 -","- C70 H94 Fe2 N4 Rb2 -","1","0.5","","Hidalgo, Nereida; Southwell, Kendal W.; Donnelly, Ryan S.; Mercado, Brandon Q.; Krajewski, Sebastian M.; Wang, Xiaoping; Holland, Patrick L.","Alkali metal cation effects for rapid C-H activation by iron(0) complexes.","Chemical science","2026","17","20","10061","10066","10.1039/d6sc01470d","","x-ray","0.71073","MoKα","","0.0935","0.0626","","","0.1535","0.161","","","","","","1.212","","","","has coordinates","306327","2026-06-05","18:36:39",""
"1576995","8.7218","0.0006","16.3416","0.0011","18.7045","0.0014","90","","90","","90","","2665.9","0.3","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C32 H32 N4 O2 -","- C32 H32 N4 O2 -","- C128 H128 N16 O8 -","4","1","","George, Malini; Knyazev, Daniil A.; Swiatek, Kamil; von Köller, Heinrich F; Werz, Daniel B.","Dimerisation of aryl-substituted bicyclobutanes (BCBs): revealing a new mode of 1,3-dipolar background reactivity.","Chemical science","2026","17","20","10159","10167","10.1039/d6sc01258b","","x-ray","1.54178","CuKα","","0.0253","0.0252","","","0.0661","0.0662","","","","","","1.03","","","","has coordinates","306326","2026-06-05","18:36:03",""
"1576996","10.793","0.01","11.439","0.01","14.225","0.013","67.52","0.019","69.114","0.015","69.485","0.012","1469","2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C42 H32 O2 -","- C42 H32 O2 -","- C84 H64 O4 -","2","1","","George, Malini; Knyazev, Daniil A.; Swiatek, Kamil; von Köller, Heinrich F; Werz, Daniel B.","Dimerisation of aryl-substituted bicyclobutanes (BCBs): revealing a new mode of 1,3-dipolar background reactivity.","Chemical science","2026","17","20","10159","10167","10.1039/d6sc01258b","","x-ray","0.71073","MoKα","","0.097","0.0584","","","0.1367","0.1625","","","","","","1.032","","","","has coordinates,has disorder","306326","2026-06-05","18:36:03",""
"1576997","6.5073","0.0013","7.6713","0.0014","18.211","0.004","99.787","0.007","92.633","0.007","99.396","0.009","881.3","0.3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H20 O4 -","- C22 H20 O4 -","- C44 H40 O8 -","2","1","","George, Malini; Knyazev, Daniil A.; Swiatek, Kamil; von Köller, Heinrich F; Werz, Daniel B.","Dimerisation of aryl-substituted bicyclobutanes (BCBs): revealing a new mode of 1,3-dipolar background reactivity.","Chemical science","2026","17","20","10159","10167","10.1039/d6sc01258b","","x-ray","0.71073","MoKα","","0.058","0.0481","","","0.1215","0.1277","","","","","","1.081","","","","has coordinates","306326","2026-06-05","18:36:03",""
"1576998","8.3477","0.0018","14.523","0.003","15.319","0.003","90","","90","","90","","1857.2","0.7","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H24 O4 -","- C24 H24 O4 -","- C96 H96 O16 -","4","1","","George, Malini; Knyazev, Daniil A.; Swiatek, Kamil; von Köller, Heinrich F; Werz, Daniel B.","Dimerisation of aryl-substituted bicyclobutanes (BCBs): revealing a new mode of 1,3-dipolar background reactivity.","Chemical science","2026","17","20","10159","10167","10.1039/d6sc01258b","","x-ray","0.71073","MoKα","","0.0496","0.0398","","","0.0957","0.1012","","","","","","1.056","","","","has coordinates","306326","2026-06-05","18:36:03",""
"1576999","20.433","0.005","9.03","0.002","11.857","0.003","90","","106.6","0.014","90","","2096.6","0.9","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 Br2 O4 -","- C23 H20 Br2 O4 -","- C92 H80 Br8 O16 -","4","1","","George, Malini; Knyazev, Daniil A.; Swiatek, Kamil; von Köller, Heinrich F; Werz, Daniel B.","Dimerisation of aryl-substituted bicyclobutanes (BCBs): revealing a new mode of 1,3-dipolar background reactivity.","Chemical science","2026","17","20","10159","10167","10.1039/d6sc01258b","","x-ray","0.71073","MoKα","","0.0475","0.0469","","","0.103","0.1033","","","","","","1.08","","","","has coordinates,has disorder","306326","2026-06-05","18:36:03",""
"1577000","7.6565","0.0002","10.3732","0.0003","14.0443","0.0004","100.852","0.001","94.3","0.001","107.078","0.001","1037.05","0.05","213","","213","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H29 N3 O2 -","- C22 H29 N3 O2 -","- C44 H58 N6 O4 -","2","1","","Ren, Zhiqiang; Feng, Tianhui; Li, Yeyao; Chu, Mengyi; Zheng, Ye; Gao, Tianli; Han, Bo; Guo, Ruili; Ma, Haojie; Wang, Ji-Jiang; Zhang, Yuqi","From alkynes to spiroindole δ-lactams <i>via</i> a copper-nitrenoid intermediate featuring unusual 1,1-addition and high <i>Z</i>-selectivity.","Chemical science","2026","17","19","9695","9702","10.1039/d5sc09742h","","","1.54178","CuKα","","0.0422","0.041","","","0.1039","0.1048","","","","","","1.029","","","","has coordinates","306306","2026-06-05","18:33:56",""
"1577001","10.1923","0.0008","12.3323","0.001","13.0563","0.0011","90","","109.121","0.003","90","","1550.6","0.2","243","","243","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H18 N2 O3 -","- C17 H18 N2 O3 -","- C68 H72 N8 O12 -","4","1","","Ren, Zhiqiang; Feng, Tianhui; Li, Yeyao; Chu, Mengyi; Zheng, Ye; Gao, Tianli; Han, Bo; Guo, Ruili; Ma, Haojie; Wang, Ji-Jiang; Zhang, Yuqi","From alkynes to spiroindole δ-lactams <i>via</i> a copper-nitrenoid intermediate featuring unusual 1,1-addition and high <i>Z</i>-selectivity.","Chemical science","2026","17","19","9695","9702","10.1039/d5sc09742h","","","1.54178","CuKα","","0.0399","0.0387","","","0.105","0.1067","","","","","","1.056","","","","has coordinates","306306","2026-06-05","18:33:56",""
"1577002","12.4903","0.0007","12.6689","0.0007","22.1306","0.0011","90","","90.773","0.002","90","","3501.6","0.3","223","","223","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H39 Cu N2 O2 -","- C31 H39 Cu N2 O2 -","- C124 H156 Cu4 N8 O8 -","4","1","","Ren, Zhiqiang; Feng, Tianhui; Li, Yeyao; Chu, Mengyi; Zheng, Ye; Gao, Tianli; Han, Bo; Guo, Ruili; Ma, Haojie; Wang, Ji-Jiang; Zhang, Yuqi","From alkynes to spiroindole δ-lactams <i>via</i> a copper-nitrenoid intermediate featuring unusual 1,1-addition and high <i>Z</i>-selectivity.","Chemical science","2026","17","19","9695","9702","10.1039/d5sc09742h","","","1.54178","CuKα","","0.1052","0.1019","","","0.372","0.3873","","","","","","1.126","","","","has coordinates","306306","2026-06-05","18:33:56",""
"1577003","10.5758","0.0009","19.7461","0.0017","6.5522","0.0007","90","","107.7","0.004","90","","1303.5","0.2","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 N2 O3 -","- C15 H14 N2 O3 -","- C60 H56 N8 O12 -","4","1","","Ren, Zhiqiang; Feng, Tianhui; Li, Yeyao; Chu, Mengyi; Zheng, Ye; Gao, Tianli; Han, Bo; Guo, Ruili; Ma, Haojie; Wang, Ji-Jiang; Zhang, Yuqi","From alkynes to spiroindole δ-lactams <i>via</i> a copper-nitrenoid intermediate featuring unusual 1,1-addition and high <i>Z</i>-selectivity.","Chemical science","2026","17","19","9695","9702","10.1039/d5sc09742h","","","1.54178","CuKα","","0.1053","0.0829","","","0.2044","0.2185","","","","","","1.048","","","","has coordinates","306306","2026-06-05","18:33:56",""
"1577004","11.4719","0.0005","4.6982","0.0002","9.1703","0.0004","90","","113.104","0.005","90","","454.61","0.04","100.15","","100.15","","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C4 H7 F4 N4 O Sb -","- C4 H7 F4 N4 O Sb -","- C8 H14 F8 N8 O2 Sb2 -","2","1","","Wang, Zhi-Xiang; Hu, Chun-Li; Sun, Chuan-Fu; Mao, Jiang-Gao; Kong, Fang","From centrosymmetric (C<sub>4</sub>H<sub>8</sub>N<sub>5</sub>)(SbF<sub>4</sub>) to polar (C<sub>4</sub>H<sub>7</sub>N<sub>4</sub>O)(SbF<sub>4</sub>): a new UV nonlinear optical material achieved by functional group modulation.","Chemical science","2026","17","13","6586","6592","10.1039/d5sc09256f","","","0.71073","MoKα","","0.0171","0.017","","","0.0395","0.0396","","","","","","1.053","","","","has coordinates","305241","2026-04-01","22:16:10",""
"1577005","5.0998","0.0003","9.4607","0.0005","10.3378","0.0006","68.33","0.005","77.847","0.005","85.276","0.005","453.13","0.05","294.21","0.1","294.21","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C4 H8 F4 N5 Sb -","- C4 H8 F4 N5 Sb -","- C8 H16 F8 N10 Sb2 -","2","1","","Wang, Zhi-Xiang; Hu, Chun-Li; Sun, Chuan-Fu; Mao, Jiang-Gao; Kong, Fang","From centrosymmetric (C<sub>4</sub>H<sub>8</sub>N<sub>5</sub>)(SbF<sub>4</sub>) to polar (C<sub>4</sub>H<sub>7</sub>N<sub>4</sub>O)(SbF<sub>4</sub>): a new UV nonlinear optical material achieved by functional group modulation.","Chemical science","2026","17","13","6586","6592","10.1039/d5sc09256f","","x-ray","0.71073","MoKα","","0.0217","0.0203","","","0.0497","0.0504","","","","","","1.065","","","","has coordinates","305241","2026-04-01","22:16:10",""
"1577006","16.998","0.004","25.266","0.006","9.438","0.002","90","","100.817","0.007","90","","3981.3","1.6","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C47 H38 Cl4 N2 Pd -","- C47 H38 Cl4 N2 Pd -","- C188 H152 Cl16 N8 Pd4 -","4","1","","Zapf, Ludwig; Rivard, Eric","Achieving (quasi)-monocoordination in metal complexes with an exceptionally bulky carbene ligand.","Chemical science","2026","17","13","6500","6506","10.1039/d5sc09514j","","x-ray","0.71073","MoKα","K-L~2,3~","0.0536","0.0388","","","0.0765","0.0924","","","","","","1.168","","","","has coordinates,has disorder","305242","2026-04-01","22:16:42",""
"1577007","9.2138","0.0012","10.642","0.0013","19.819","0.003","82.03","0.004","89.918","0.004","81.439","0.004","1902.7","0.4","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C26 H20 N2 -","- C26 H20 N2 -","- C104 H80 N8 -","4","2","","Zapf, Ludwig; Rivard, Eric","Achieving (quasi)-monocoordination in metal complexes with an exceptionally bulky carbene ligand.","Chemical science","2026","17","13","6500","6506","10.1039/d5sc09514j","","x-ray","1.54178","CuKα","K-L~2,3~","0.0432","0.0408","","","0.0901","0.094","","","","","","0.999","","","","has coordinates","305242","2026-04-01","22:16:42",""
"1577008","18.261","0.006","9.757","0.004","40.853","0.014","90","","93.968","0.017","90","","7261","5","173","2","173","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C48 H41 N2 -","- C48 H41 N2 -","- C384 H328 N16 -","8","1","","Zapf, Ludwig; Rivard, Eric","Achieving (quasi)-monocoordination in metal complexes with an exceptionally bulky carbene ligand.","Chemical science","2026","17","13","6500","6506","10.1039/d5sc09514j","","x-ray","1.54178","CuKα","K-L~2,3~","0.0646","0.054","","","0.1112","0.1218","","","","","","1.149","","","","has coordinates,has disorder","305242","2026-04-01","22:16:42",""
"1577009","10.1901","0.0004","21.5445","0.0011","35.5333","0.0018","90","","93.017","0.002","90","","7790.2","0.6","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C54 H43 Cl N2 Pd -","- C54 H43 Cl N2 Pd -","- C324 H258 Cl6 N12 Pd6 -","6","3","","Zapf, Ludwig; Rivard, Eric","Achieving (quasi)-monocoordination in metal complexes with an exceptionally bulky carbene ligand.","Chemical science","2026","17","13","6500","6506","10.1039/d5sc09514j","","x-ray","0.71073","MoKα","K-L~2,3~","0.0373","0.0317","","","0.0732","0.0785","","","","","","1.072","","","","has coordinates,has disorder","305242","2026-04-01","22:16:42",""
"1577010","10.2314","0.0003","12.158","0.0004","17.7859","0.0006","96.123","0.002","101.349","0.001","96.337","0.002","2137.14","0.12","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H38 Cl5 N2 O2 Rh -","- C49 H38 Cl5 N2 O2 Rh -","- C98 H76 Cl10 N4 O4 Rh2 -","2","1","","Zapf, Ludwig; Rivard, Eric","Achieving (quasi)-monocoordination in metal complexes with an exceptionally bulky carbene ligand.","Chemical science","2026","17","13","6500","6506","10.1039/d5sc09514j","","x-ray","0.71073","MoKα","K-L~2,3~","0.0507","0.0393","","","0.0831","0.09","","","","","","1.093","","","","has coordinates","305242","2026-04-01","22:16:42",""
"1577011","19.961","0.003","21.323","0.003","9.0723","0.0012","90","","90","","90","","3861.4","0.9","173","2","173","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C46 H34 Ag F3 N2 O3 S -","- C46 H34 Ag F3 N2 O3 S -","- C184 H136 Ag4 F12 N8 O12 S4 -","4","0.5","","Zapf, Ludwig; Rivard, Eric","Achieving (quasi)-monocoordination in metal complexes with an exceptionally bulky carbene ligand.","Chemical science","2026","17","13","6500","6506","10.1039/d5sc09514j","","x-ray","0.71073","MoKα","K-L~2,3~","0.0698","0.0481","","","0.098","0.1142","","","","","","1.105","","","","has coordinates,has disorder","305242","2026-04-01","22:16:42",""
"1577012","11.1976","0.0011","17.9673","0.0014","19.1187","0.0019","90","","104.901","0.003","90","","3717.2","0.6","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H35 F3 N2 O3 S -","- C46 H35 F3 N2 O3 S -","- C184 H140 F12 N8 O12 S4 -","4","1","","Zapf, Ludwig; Rivard, Eric","Achieving (quasi)-monocoordination in metal complexes with an exceptionally bulky carbene ligand.","Chemical science","2026","17","13","6500","6506","10.1039/d5sc09514j","","x-ray","0.71073","MoKα","K-L~2,3~","0.0529","0.0449","","","0.0948","0.1016","","","","","","1.064","","","","has coordinates,has disorder","305242","2026-04-01","22:16:42",""
"1577013","44.633","0.011","11.005","0.003","32.902","0.008","90","","100.734","0.009","90","","15878","7","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H36 Au Cl3 N2 -","- C46 H36 Au Cl3 N2 -","- C736 H576 Au16 Cl48 N32 -","16","2","","Zapf, Ludwig; Rivard, Eric","Achieving (quasi)-monocoordination in metal complexes with an exceptionally bulky carbene ligand.","Chemical science","2026","17","13","6500","6506","10.1039/d5sc09514j","","x-ray","0.71073","MoKα","K-L~2,3~","0.0471","0.0386","","","0.0903","0.0966","","","","","","1.116","","","","has coordinates,has disorder","305242","2026-04-01","22:16:42",""
"1577014","14.7137","0.0005","15.6695","0.0005","17.6042","0.0006","73.027","0.002","89.57","0.002","73.558","0.001","3710.7","0.2","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C61 H34 Al F36 Ga N2 O4 -","- C61 H34 Al F36 Ga N2 O4 -","- C122 H68 Al2 F72 Ga2 N4 O8 -","2","1","","Zapf, Ludwig; Rivard, Eric","Achieving (quasi)-monocoordination in metal complexes with an exceptionally bulky carbene ligand.","Chemical science","2026","17","13","6500","6506","10.1039/d5sc09514j","","x-ray","0.71073","MoKα","K-L~2,3~","0.1279","0.0952","","","0.2699","0.3101","","","","","","1.024","","","","has coordinates,has disorder","305242","2026-04-01","22:16:42",""
"1577015","14.738","0.0008","15.5714","0.0007","17.6595","0.0009","73.104","0.002","89.999","0.002","71.633","0.002","3661.5","0.3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C61 H34 Al F36 Li N2 O4 -","- C60.996 H34 Al F35.991 Li N2 O3.999 -","- C121.992 H68 Al2 F71.982 Li2 N4 O7.998 -","2","1","","Zapf, Ludwig; Rivard, Eric","Achieving (quasi)-monocoordination in metal complexes with an exceptionally bulky carbene ligand.","Chemical science","2026","17","13","6500","6506","10.1039/d5sc09514j","","x-ray","0.71073","MoKα","K-L~2,3~","0.122","0.0835","","","0.1666","0.1878","","","","","","1.159","","","","has coordinates,has disorder","305242","2026-04-01","22:16:42",""
"1577016","7.4599","0.0004","15.1984","0.0009","13.7746","0.0008","90","","92.8916","0.0016","90","","1559.76","0.15","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H16 Bi3 N O11 -","- C8 H16 Bi3 N O11 -","- C32 H64 Bi12 N4 O44 -","4","1","","Donohoe, Madison; Licskai, Tristan; Niknam, Ehsan; Assoud, Abdeljalil; Zou, Tianze; Kycia, Jan; Kleinke, Holger","Precursor effects and formation mechanism of polyol-synthesized thermoelectric Bi<sub>2</sub>Te<sub>3</sub>.","Nanoscale","2026","18","17","9365","9379","10.1039/d5nr05277g","","","0.71073","MoKα","","0.0432","0.0265","","","0.0471","0.0507","","","","","","1.025","","","","has coordinates","306450","2026-06-05","19:23:14",""
"1577017","5.5054","0.0004","7.0895","0.0005","13.1417","0.001","90","","94.486","0.007","90","","511.36","0.06","390","0.1","390","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C8 H11 Br Cl N -","- C8 H11 Br Cl N -","- C16 H22 Br2 Cl2 N2 -","2","1","","Lv, Hui-Peng; Liao, Zhi-Lin; Gao, Di; Jiang, Kai-Wen; Yu, Si-Qi; Lei, Yi; Liu, Jian-Chun; Geng, Yi-Zhuo; Ai, Yong; Li, Peng-Fei; Qin, Yan; Chen, Xiao-Gang","2D Chiral Organic Salts with Large Piezoelectric Response","Materials Horizons","2026","","","","","10.1039/D6MH00256K","","x-ray","1.54184","CuKα","","0.0731","0.0692","","","0.1934","0.2008","","","","","","1.074","","","","has coordinates","305247","2026-04-02","01:51:45",""
"1577018","5.4758","0.0002","7.0246","0.0002","13.0918","0.0004","90","","94.062","0.003","90","","502.32","0.03","299.81","0.17","299.81","0.17","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C8 H11 Br Cl N -","- C8 H11 Br Cl N -","- C16 H22 Br2 Cl2 N2 -","2","1","","Lv, Hui-Peng; Liao, Zhi-Lin; Gao, Di; Jiang, Kai-Wen; Yu, Si-Qi; Lei, Yi; Liu, Jian-Chun; Geng, Yi-Zhuo; Ai, Yong; Li, Peng-Fei; Qin, Yan; Chen, Xiao-Gang","2D Chiral Organic Salts with Large Piezoelectric Response","Materials Horizons","2026","","","","","10.1039/D6MH00256K","","x-ray","1.54184","CuKα","","0.0548","0.0538","","","0.1539","0.1553","","","","","","1.068","","","","has coordinates","305247","2026-04-02","01:51:45",""
"1577019","5.47653","0.0001","7.0225","0.00013","13.0992","0.0002","90","","94.0673","0.0016","90","","502.512","0.015","300","0.1","300.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C8 H11 Br Cl N -","- C8 H11 Br Cl N -","- C16 H22 Br2 Cl2 N2 -","2","1","","Lv, Hui-Peng; Liao, Zhi-Lin; Gao, Di; Jiang, Kai-Wen; Yu, Si-Qi; Lei, Yi; Liu, Jian-Chun; Geng, Yi-Zhuo; Ai, Yong; Li, Peng-Fei; Qin, Yan; Chen, Xiao-Gang","2D Chiral Organic Salts with Large Piezoelectric Response","Materials Horizons","2026","","","","","10.1039/D6MH00256K","","","1.54184","CuKα","","0.0485","0.0475","","","0.1484","0.1492","","","","","","1.199","","","","has coordinates","305247","2026-04-02","01:51:45",""
"1577020","5.4089","0.0001","6.8958","0.0002","13.0697","0.0003","90","","93.133","0.002","90","","486.75","0.02","80","0.18","80","0.18","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C8 H11 Br Cl N -","- C8 H11 Br Cl N -","- C16 H22 Br2 Cl2 N2 -","2","1","","Lv, Hui-Peng; Liao, Zhi-Lin; Gao, Di; Jiang, Kai-Wen; Yu, Si-Qi; Lei, Yi; Liu, Jian-Chun; Geng, Yi-Zhuo; Ai, Yong; Li, Peng-Fei; Qin, Yan; Chen, Xiao-Gang","2D Chiral Organic Salts with Large Piezoelectric Response","Materials Horizons","2026","","","","","10.1039/D6MH00256K","","x-ray","1.54184","CuKα","","0.0555","0.0554","","","0.1606","0.1608","","","","","","1.088","","","","has coordinates","305247","2026-04-02","01:51:45",""
"1577021","5.4123","0.0002","6.8976","0.0002","13.0668","0.0004","90","","93.236","0.003","90","","487.03","0.03","80","0.4","80","0.4","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C8 H11 Br Cl N -","- C8 H11 Br Cl N -","- C16 H22 Br2 Cl2 N2 -","2","1","","Lv, Hui-Peng; Liao, Zhi-Lin; Gao, Di; Jiang, Kai-Wen; Yu, Si-Qi; Lei, Yi; Liu, Jian-Chun; Geng, Yi-Zhuo; Ai, Yong; Li, Peng-Fei; Qin, Yan; Chen, Xiao-Gang","2D Chiral Organic Salts with Large Piezoelectric Response","Materials Horizons","2026","","","","","10.1039/D6MH00256K","","x-ray","1.54184","CuKα","","0.0451","0.0449","","","0.1276","0.1279","","","","","","1.051","","","","has coordinates","305247","2026-04-02","01:51:45",""
"1577022","5.5085","0.0003","7.0767","0.0004","13.1384","0.0007","90","","94.465","0.005","90","","510.61","0.05","390.03","0.1","390.03","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C8 H11 Br Cl N -","- C8 H11 Br Cl N -","- C16 H22 Br2 Cl2 N2 -","2","1","","Lv, Hui-Peng; Liao, Zhi-Lin; Gao, Di; Jiang, Kai-Wen; Yu, Si-Qi; Lei, Yi; Liu, Jian-Chun; Geng, Yi-Zhuo; Ai, Yong; Li, Peng-Fei; Qin, Yan; Chen, Xiao-Gang","2D Chiral Organic Salts with Large Piezoelectric Response","Materials Horizons","2026","","","","","10.1039/D6MH00256K","","x-ray","1.54184","CuKα","","0.055","0.0517","","","0.1546","0.1585","","","","","","1.078","","","","has coordinates","305247","2026-04-02","01:51:45",""
"1577023","19.4511","0.0012","14.2516","0.0011","7.4067","0.0006","90","","90","","90","","2053.2","0.3","300","0.1","300","0.1","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C8 H11 Br Cl N -","- C8 H11 Br Cl N -","- C64 H88 Br8 Cl8 N8 -","8","1","","Lv, Hui-Peng; Liao, Zhi-Lin; Gao, Di; Jiang, Kai-Wen; Yu, Si-Qi; Lei, Yi; Liu, Jian-Chun; Geng, Yi-Zhuo; Ai, Yong; Li, Peng-Fei; Qin, Yan; Chen, Xiao-Gang","2D Chiral Organic Salts with Large Piezoelectric Response","Materials Horizons","2026","","","","","10.1039/D6MH00256K","","x-ray","1.54184","CuKα","","0.1103","0.0508","","","0.1248","0.1537","","","","","","1.023","","","","has coordinates","305247","2026-04-02","01:51:45",""
"1577024","15.473","0.0004","15.8524","0.0005","44.6035","0.0011","83.851","0.002","85.045","0.002","73.865","0.003","10430.7","0.5","150.01","0.18","150.15","","","","","","","","","7","P -1","-P 1","2","","","","- C100 H102 Cl I2 N12 Na O21 -","- C100 H102 Cl I2 N12 Na O21 -","- C400 H408 Cl4 I8 N48 Na4 O84 -","4","2","","Tay, Hui Min; Docker, Andrew; Martínez-Martínez, Antonio J; Beer, Paul D.","Orthogonal cation and anion template-directed synthesis of a heteroditopic [3]catenane for ion-pair recognition.","Chemical science","2026","17","21","10581","10588","10.1039/d5sc05942a","","","1.54184","CuKα","","0.1722","0.1464","","","0.4201","0.4436","","","","","","1.782","","","","has coordinates","306355","2026-06-05","18:40:54",""
"1577025","23.8937","0.0019","23.9314","0.0018","36.662","0.003","86.198","0.004","72.187","0.004","60.289","0.003","17242","2","100.15","","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C254 H314 Cl8 N32 O12 Zn6 -","- C254 H314 Cl8 N32 O12 Zn6 -","- C508 H628 Cl16 N64 O24 Zn12 -","2","1","","Donaggio, Leonardo; Schweimer, Kristian; Heinemann, Frank W.; Hennig, Janosch; Kurz, Hannah","The bis-salphen Zn(II) unit: a versatile building block for self-assembled heteroleptic coordination cages.","Nanoscale","2026","18","13","7002","7009","10.1039/d5nr04564a","","","0.71073","MoKα","","0.2107","0.1644","","","0.4436","0.4655","","","","","","1.729","","","","has coordinates","305270","2026-04-05","01:22:21",""
"1577026","23.37","0.002","23.517","0.002","34.986","0.003","81.695","0.004","80.215","0.004","60.768","0.003","16493","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C295.8 H370.97 Cl9.08 N43.63 O12 Zn6 -","- C295.795 H370.96 Cl9.07 N43.63 O12 Zn6 -","- C591.59 H741.92 Cl18.14 N87.26 O24 Zn12 -","2","1","","Donaggio, Leonardo; Schweimer, Kristian; Heinemann, Frank W.; Hennig, Janosch; Kurz, Hannah","The bis-salphen Zn(II) unit: a versatile building block for self-assembled heteroleptic coordination cages.","Nanoscale","2026","18","13","7002","7009","10.1039/d5nr04564a","","","0.71073","MoKα","","0.1388","0.0981","","","0.2743","0.3022","","","","","","1.035","","","","has coordinates,has disorder","305270","2026-04-05","01:22:21",""
"1577027","25.0771","0.0019","7.6507","0.0004","12.2423","0.0005","90","","93.709","0.005","90","","2343.9","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H23 B O2 S2 -","- C28 H23 B O2 S2 -","- C112 H92 B4 O8 S8 -","4","1","","Takimiya, Kazuo; Usui, Sayaka; Hanaki, Ryota; Bulgarevich, Kirill; Kawabata, Kohsuke; Nakano, Kyohei; Tajima, Keisuke","Significant decrease in the ionization energy of dinaphtho[2,3-<i>b</i>:2',3'-<i>f</i>]thieno[3,2-<i>b</i>]thiophene (DNTT) solid induced by a pinacolborane group.","Materials horizons","2026","13","6","3117","3126","10.1039/d5mh01969a","","x-ray","1.54184","CuKα","","0.099","0.0762","","","0.2166","0.2493","","","","","","1.056","","","","has coordinates,has disorder","305276","2026-04-05","11:13:41",""
"1577028","22.4468","0.0004","8.26896","0.00013","11.32561","0.00016","90","","93.2348","0.0014","90","","2098.82","0.06","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bpin-BNTT","","- C24 H21 B O2 S2 -","- C24 H21 B O2 S2 -","- C96 H84 B4 O8 S8 -","4","1","","Takimiya, Kazuo; Usui, Sayaka; Hanaki, Ryota; Bulgarevich, Kirill; Kawabata, Kohsuke; Nakano, Kyohei; Tajima, Keisuke","Significant decrease in the ionization energy of dinaphtho[2,3-<i>b</i>:2',3'-<i>f</i>]thieno[3,2-<i>b</i>]thiophene (DNTT) solid induced by a pinacolborane group.","Materials horizons","2026","13","6","3117","3126","10.1039/d5mh01969a","","x-ray","1.54184","CuKα","","0.0365","0.0337","","","0.0976","0.0998","","","","","","1.073","","","","has coordinates","305276","2026-04-05","11:13:41",""
"1577029","16.924","0.01","4.099","0.002","5.572","0.003","90","","90","","90","","386.5","0.4","293","2","293","2","","","","","","","La Piana quarry, Carrara, Italy","5","P m m n :2","-P 2ab 2a","59","","","delchiaroite","- C2 H6 Cu3 I S2 -","- C2 H6 Cu3 I S2 -","- C4 H12 Cu6 I2 S4 -","2","0.25","","C. Biagioni J. Sejkora Y. Moelo A. Criscuolo Z. Dolnicek","When mineralogy meets the organic chemistry: delchiaroite, Cu3I(CH3S)2, the first copper iodide-methanethiolate from the Carrara marble quarries, Apuan Alps, Tuscany, Italy","European Journal of Mineralogy","2026","38","","157","163","10.5194/ejm-38-153-2026","","","0.71073","MoKα","","0.112","0.0962","","","0.2389","0.2557","","","","","","1.156","","","","has coordinates","305453","2026-04-05","17:47:32",""
"1577030","16.657","0.004","16.657","0.004","47.635","0.016","90","","90","","120","","11446","5","298","2","298","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C66 H96 Cd2 N4 O26 -","- C66 H60 Cd2 N4 O8 -","- C396 H360 Cd12 N24 O48 -","6","1","","Fan, You; Zhu, Zhikai; Zhou, Shuo; Gorelli, Federico; Ye, Yuchen; Hu, Huixin; Zhang, Shenghan; Dong, Hongliang; Liao, Changzhong; Zhang, Ziyou; Chen, Zhiqiang","Deciphering the stimuli-responsive behavior of TPPE-incorporated flexible metal-organic frameworks.","Chemical science","2026","17","20","10281","10289","10.1039/d5sc09651k","","x-ray","0.71073","MoKα","","0.0782","0.0598","","","0.1397","0.1492","","","","","","1.059","","","","has coordinates,has disorder","306322","2026-06-05","18:35:35",""
"1577031","11.3302","0.0003","11.9721","0.0002","28.1532","0.0006","91.08","0.002","91.634","0.002","101.979","0.002","3733","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H57 B11 N2 Si2 -","- C27 H57 B11 N2 Si2 -","- C108 H228 B44 N8 Si8 -","4","2","","Xiang, Libo; Kwan, Ka Ho; Jing, Yi; Wang, Junyi; Matler, Alexander; Chen, Xuenian; Lin, Zhenyang; Ye, Qing","Stepwise B[triple bond, length as m-dash]N bond cleavage by isocyanides: access to the 3-azaborole structural motif.","Chemical science","2026","17","20","10053","10060","10.1039/d6sc01836j","","x-ray","1.54184","CuKα","K-L~2,3~","0.0454","0.0406","","","0.1035","0.1066","","","","","","1.029","","","","has coordinates","306328","2026-06-05","18:36:48",""
"1577032","13.7127","0.0002","25.3195","0.0003","13.1787","0.0001","90","","103.614","0.001","90","","4447.07","0.09","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H61 B11 N4 Si2 -","- C38 H61 B11 N4 Si2 -","- C152 H244 B44 N16 Si8 -","4","1","","Xiang, Libo; Kwan, Ka Ho; Jing, Yi; Wang, Junyi; Matler, Alexander; Chen, Xuenian; Lin, Zhenyang; Ye, Qing","Stepwise B[triple bond, length as m-dash]N bond cleavage by isocyanides: access to the 3-azaborole structural motif.","Chemical science","2026","17","20","10053","10060","10.1039/d6sc01836j","","x-ray","1.54184","CuKα","K-L~2,3~","0.0457","0.0396","","","0.1054","0.1089","","","","","","1.049","","","","has coordinates","306328","2026-06-05","18:36:48",""
"1577033","11.2865","0.0002","13.2089","0.0002","22.3633","0.0002","91.624","0.001","90.635","0.001","108.444","0.001","3160.74","0.08","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C48.55 H79.37 B11 Ca N6.73 O1.27 Si2 -","- C48.548 H79.37 B11 Ca N6.726 O1.274 Si2 -","- C97.096 H158.74 B22 Ca2 N13.452 O2.548 Si4 -","2","1","","Xiang, Libo; Kwan, Ka Ho; Jing, Yi; Wang, Junyi; Matler, Alexander; Chen, Xuenian; Lin, Zhenyang; Ye, Qing","Stepwise B[triple bond, length as m-dash]N bond cleavage by isocyanides: access to the 3-azaborole structural motif.","Chemical science","2026","17","20","10053","10060","10.1039/d6sc01836j","","x-ray","1.54184","CuKα","K-L~2,3~","0.0709","0.053","","","0.1432","0.1529","","","","","","1.038","","","","has coordinates,has disorder","306328","2026-06-05","18:36:48",""
"1577034","16.1104","0.0002","12.0324","0.0001","27.5466","0.0003","90","","94.311","0.001","90","","5324.71","0.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C47 H79 B11 N4 Si2 -","- C47 H79 B11 N4 Si2 -","- C188 H316 B44 N16 Si8 -","4","1","","Xiang, Libo; Kwan, Ka Ho; Jing, Yi; Wang, Junyi; Matler, Alexander; Chen, Xuenian; Lin, Zhenyang; Ye, Qing","Stepwise B[triple bond, length as m-dash]N bond cleavage by isocyanides: access to the 3-azaborole structural motif.","Chemical science","2026","17","20","10053","10060","10.1039/d6sc01836j","","x-ray","1.54184","CuKα","K-L~2,3~","0.0572","0.0435","","","0.1029","0.1095","","","","","","1.015","","","","has coordinates","306328","2026-06-05","18:36:48",""
"1577035","10.6536","0.0002","12.6438","0.0003","22.2211","0.0006","89.441","0.002","78.944","0.002","71.061","0.002","2774.2","0.12","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H78 B11 Mg N7 O Si2 -","- C48 H78 B11 Mg N7 O Si2 -","- C96 H156 B22 Mg2 N14 O2 Si4 -","2","1","","Xiang, Libo; Kwan, Ka Ho; Jing, Yi; Wang, Junyi; Matler, Alexander; Chen, Xuenian; Lin, Zhenyang; Ye, Qing","Stepwise B[triple bond, length as m-dash]N bond cleavage by isocyanides: access to the 3-azaborole structural motif.","Chemical science","2026","17","20","10053","10060","10.1039/d6sc01836j","","x-ray","1.54184","CuKα","K-L~2,3~","0.0488","0.0409","","","0.1102","0.1148","","","","","","1.056","","","","has coordinates","306328","2026-06-05","18:36:48",""
"1577036","18.76217","0.00005","20.24982","0.00007","21.68721","0.00006","90","","90.2799","0.0003","90","","8239.54","0.04","123","0.1","123","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","DippBDIMgFp*","","- C85.5 H116 Fe2 Mg2 N4 O4 -","- C85.5 H116 Fe2 Mg2 N4 O4 -","- C342 H464 Fe8 Mg8 N16 O16 -","4","1","","Gilch, Franziska; Brossette, Jan; Westermair, Franz F.; Silva, Wagner; Balázs, Gábor; Gschwind, Ruth M.; Zipse, Hendrik; Wolf, Robert","Selective White Phosphorus Activation and Functionalization with Inorganic Grignard Reagents","Chemical Science","2026","","","","","10.1039/D6SC01229A","","x-ray","1.54184","CuKα","","0.0306","0.0295","","","0.0816","0.0823","","","","","","1.04","","","","has coordinates,has disorder","305471","2026-04-07","22:15:28",""
"1577037","8.9949","0.0001","14.0741","0.0002","20.5803","0.0003","92.756","0.001","93.993","0.001","94.027","0.001","2588.95","0.06","123","0.1","123","0.1","","","","","","","","7","P -1","-P 1","2","","DippBDIMg(iPrN2C)Fp*P4","","- C48 H70 Fe Mg N4 O2 P4 -","- C48 H70 Fe Mg N4 O2 P4 -","- C96 H140 Fe2 Mg2 N8 O4 P8 -","2","1","","Gilch, Franziska; Brossette, Jan; Westermair, Franz F.; Silva, Wagner; Balázs, Gábor; Gschwind, Ruth M.; Zipse, Hendrik; Wolf, Robert","Selective White Phosphorus Activation and Functionalization with Inorganic Grignard Reagents","Chemical Science","2026","","","","","10.1039/D6SC01229A","","x-ray","1.54184","CuKα","","0.0413","0.0374","","","0.1035","0.1055","","","","","","1.102","","","","has coordinates,has disorder","305471","2026-04-07","22:15:28",""
"1577038","18.278","0.0002","13.0705","0.0001","38.5592","0.0004","90","","91.837","0.001","90","","9207.16","0.16","123","0.1","123","0.1","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","DippBDIMg(THF)FpP4","","- C44 H62 Fe Mg N2 O4 P4 -","- C44 H62 Fe Mg N2 O4 P4 -","- C352 H496 Fe8 Mg8 N16 O32 P32 -","8","1","","Gilch, Franziska; Brossette, Jan; Westermair, Franz F.; Silva, Wagner; Balázs, Gábor; Gschwind, Ruth M.; Zipse, Hendrik; Wolf, Robert","Selective White Phosphorus Activation and Functionalization with Inorganic Grignard Reagents","Chemical Science","2026","","","","","10.1039/D6SC01229A","","x-ray","1.54184","CuKα","","0.0445","0.0422","","","0.1214","0.1227","","","","","","1.06","","","","has coordinates,has disorder","305471","2026-04-07","22:15:28",""
"1577039","14.9165","0.0002","16.5219","0.0003","27.4951","0.0005","90","","90","","90","","6776.1","0.2","123","0.1","123","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","[Fp*{P4Si(SiMe3)3}]","","- C21 H42 Fe O2 P4 Si4 -","- C21 H42 Fe O2 P4 Si4 -","- C168 H336 Fe8 O16 P32 Si32 -","8","1","","Gilch, Franziska; Brossette, Jan; Westermair, Franz F.; Silva, Wagner; Balázs, Gábor; Gschwind, Ruth M.; Zipse, Hendrik; Wolf, Robert","Selective White Phosphorus Activation and Functionalization with Inorganic Grignard Reagents","Chemical Science","2026","","","","","10.1039/D6SC01229A","","x-ray","1.54184","CuKα","","0.0627","0.0563","","","0.1472","0.1505","","","","","","1.074","","","","has coordinates","305471","2026-04-07","22:15:28",""
"1577040","8.7769","0.0001","10.5371","0.0002","17.7916","0.0002","106.334","0.001","92.784","0.001","99.671","0.001","1548.57","0.04","123","0.1","123","0.1","","","","","","","","6","P -1","-P 1","2","","MesBDIMg(THF)Fp","","- C34 H42 Fe Mg N2 O3 -","- C34 H42 Fe Mg N2 O3 -","- C68 H84 Fe2 Mg2 N4 O6 -","2","1","","Gilch, Franziska; Brossette, Jan; Westermair, Franz F.; Silva, Wagner; Balázs, Gábor; Gschwind, Ruth M.; Zipse, Hendrik; Wolf, Robert","Selective White Phosphorus Activation and Functionalization with Inorganic Grignard Reagents","Chemical Science","2026","","","","","10.1039/D6SC01229A","","x-ray","1.54184","CuKα","","0.0341","0.0316","","","0.0845","0.0858","","","","","","1.059","","","","has coordinates","305471","2026-04-07","22:15:28",""
"1577041","9.0011","0.0002","11.2017","0.0003","14.1141","0.0003","69.526","0.002","78.765","0.002","71.192","0.002","1256.59","0.06","123","0.1","123","0.1","","","","","","","","6","P -1","-P 1","2","","Fp*P4Ph2B","","- C24 H25 B Fe O2 P4 -","- C24 H25 B Fe O2 P4 -","- C48 H50 B2 Fe2 O4 P8 -","2","1","","Gilch, Franziska; Brossette, Jan; Westermair, Franz F.; Silva, Wagner; Balázs, Gábor; Gschwind, Ruth M.; Zipse, Hendrik; Wolf, Robert","Selective White Phosphorus Activation and Functionalization with Inorganic Grignard Reagents","Chemical Science","2026","","","","","10.1039/D6SC01229A","","x-ray","1.54184","CuKα","","0.0318","0.0303","","","0.0815","0.0821","","","","","","1.051","","","","has coordinates","305471","2026-04-07","22:15:28",""
"1577042","9.0732","0.0001","12.951","0.0002","19.3861","0.0002","97.221","0.001","91.171","0.001","107.411","0.001","2152.33","0.05","123","0.1","123","0.1","","","","","","","","6","P -1","-P 1","2","","DippBDIMg(DME)Fp*","","- C45 H66 Fe Mg N2 O4 -","- C45 H66 Fe Mg N2 O4 -","- C90 H132 Fe2 Mg2 N4 O8 -","2","1","","Gilch, Franziska; Brossette, Jan; Westermair, Franz F.; Silva, Wagner; Balázs, Gábor; Gschwind, Ruth M.; Zipse, Hendrik; Wolf, Robert","Selective White Phosphorus Activation and Functionalization with Inorganic Grignard Reagents","Chemical Science","2026","","","","","10.1039/D6SC01229A","","x-ray","1.54184","CuKα","","0.0363","0.0333","","","0.0877","0.0891","","","","","","1.111","","","","has coordinates,has disorder","305471","2026-04-07","22:15:28",""
"1577043","42.1585","0.0005","11.9444","0.0001","16.1669","0.0001","90","","92.896","0.001","90","","8130.57","0.13","123","0.1","123","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","DippBDIMgFpP4","","- C39.5 H50 Fe Mg N2 O2 P4 -","- C36 H46 Fe Mg N2 O2 P4 -","- C288 H368 Fe8 Mg8 N16 O16 P32 -","8","1","","Gilch, Franziska; Brossette, Jan; Westermair, Franz F.; Silva, Wagner; Balázs, Gábor; Gschwind, Ruth M.; Zipse, Hendrik; Wolf, Robert","Selective White Phosphorus Activation and Functionalization with Inorganic Grignard Reagents","Chemical Science","2026","","","","","10.1039/D6SC01229A","","x-ray","1.54184","CuKα","","0.043","0.0376","","","0.1058","0.1086","","","","","","1.105","","","","has coordinates","305471","2026-04-07","22:15:28",""
"1577044","12.5796","0.0001","15.1791","0.0001","23.6402","0.0002","90","","104.065","0.001","90","","4378.7","0.06","123","0.1","123","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","DippBDIMgFp*P4","","- C41 H56 Fe Mg N2 O2 P4 -","- C41 H56 Fe Mg N2 O2 P4 -","- C164 H224 Fe4 Mg4 N8 O8 P16 -","4","1","","Gilch, Franziska; Brossette, Jan; Westermair, Franz F.; Silva, Wagner; Balázs, Gábor; Gschwind, Ruth M.; Zipse, Hendrik; Wolf, Robert","Selective White Phosphorus Activation and Functionalization with Inorganic Grignard Reagents","Chemical Science","2026","","","","","10.1039/D6SC01229A","","x-ray","1.54184","CuKα","","0.0485","0.0448","","","0.1263","0.1289","","","","","","1.062","","","","has coordinates","305471","2026-04-07","22:15:28",""
"1577045","9.0503","0.0002","11.8365","0.0002","16.4701","0.0003","89.313","0.002","78.234","0.002","71.325","0.002","1633.62","0.06","123","0.1","123","0.1","","","","","","","","6","P -1","-P 1","2","","DepBDIMg(THF)Fp","","- C36 H46 Fe Mg N2 O3 -","- C36 H46 Fe Mg N2 O3 -","- C72 H92 Fe2 Mg2 N4 O6 -","2","1","","Gilch, Franziska; Brossette, Jan; Westermair, Franz F.; Silva, Wagner; Balázs, Gábor; Gschwind, Ruth M.; Zipse, Hendrik; Wolf, Robert","Selective White Phosphorus Activation and Functionalization with Inorganic Grignard Reagents","Chemical Science","2026","","","","","10.1039/D6SC01229A","","x-ray","1.54184","CuKα","","0.0327","0.0298","","","0.0758","0.0771","","","","","","1.0238","","","","has coordinates","305471","2026-04-07","22:15:28",""
"1577046","19.9332","0.0002","9.5124","0.0001","28.1357","0.0003","90","","102.72","0.001","90","","5203.95","0.1","123","0.1","123","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H69 Fe Mg N6 O2.5 -","- C52 H69 Fe Mg N6 O2.5 -","- C208 H276 Fe4 Mg4 N24 O10 -","4","1","","Gilch, Franziska; Brossette, Jan; Westermair, Franz F.; Silva, Wagner; Balázs, Gábor; Gschwind, Ruth M.; Zipse, Hendrik; Wolf, Robert","Selective White Phosphorus Activation and Functionalization with Inorganic Grignard Reagents","Chemical Science","2026","","","","","10.1039/D6SC01229A","","x-ray","1.54184","CuKα","","0.0736","0.0651","","","0.2052","0.2152","","","","","","1.077","","","","has coordinates,has disorder","305471","2026-04-07","22:15:28",""
"1577047","55.0043","0.0004","24.1155","0.0002","13.4748","0.0001","90","","90","","90","","17873.7","0.2","123","0.1","123","0.1","","","","","","","","7","F d d 2","F 2 -2d","43","","[(DippBDI)Mg][Cp*Fe(η5-P4CO)]","","- C40 H56 Fe Mg N2 O P4 -","- C40 H56 Fe Mg N2 O P4 -","- C640 H896 Fe16 Mg16 N32 O16 P64 -","16","1","","Gilch, Franziska; Brossette, Jan; Westermair, Franz F.; Silva, Wagner; Balázs, Gábor; Gschwind, Ruth M.; Zipse, Hendrik; Wolf, Robert","Selective White Phosphorus Activation and Functionalization with Inorganic Grignard Reagents","Chemical Science","2026","","","","","10.1039/D6SC01229A","","x-ray","1.54184","CuKα","","0.0475","0.0426","","","0.1124","0.1155","","","","","","1.053","","","","has coordinates","305471","2026-04-07","22:15:28",""
"1577048","14.0281","0.0001","42.0245","0.0001","15.3508","0.0001","90","","113.64","0.001","90","","8290.24","0.1","123","0.1","123","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[{Cp*Fe(CO)2}2(Ar2Sn2P8)]","","- C84 H104 Fe2 O4 P8 Sn2 -","- C84 H104 Fe2 O4 P8 Sn2 -","- C336 H416 Fe8 O16 P32 Sn8 -","4","1","","Gilch, Franziska; Brossette, Jan; Westermair, Franz F.; Silva, Wagner; Balázs, Gábor; Gschwind, Ruth M.; Zipse, Hendrik; Wolf, Robert","Selective White Phosphorus Activation and Functionalization with Inorganic Grignard Reagents","Chemical Science","2026","","","","","10.1039/D6SC01229A","","x-ray","1.54184","CuKα","","0.0222","0.0211","","","0.0563","0.0568","","","","","","1.047","","","","has coordinates","305471","2026-04-07","22:15:28",""
"1577049","18.6638","0.0001","14.167","0.0001","16.4587","0.0001","90","","97.034","0.001","90","","4319.09","0.05","123","0.1","123","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[(DippBDI)Mg(THF)][CpFe(η5-P4CO)]","","- C42.5 H58 Fe Mg N2 O2 P4 -","- C39 H54 Fe Mg N2 O2 P4 -","- C156 H216 Fe4 Mg4 N8 O8 P16 -","4","1","","Gilch, Franziska; Brossette, Jan; Westermair, Franz F.; Silva, Wagner; Balázs, Gábor; Gschwind, Ruth M.; Zipse, Hendrik; Wolf, Robert","Selective White Phosphorus Activation and Functionalization with Inorganic Grignard Reagents","Chemical Science","2026","","","","","10.1039/D6SC01229A","","x-ray","1.54184","CuKα","","0.0402","0.0356","","","0.098","0.1009","","","","","","1.063","","","","has coordinates,has disorder","305471","2026-04-07","22:15:28",""
"1577050","9.2348","0.0001","16.5913","0.0001","20.4964","0.0002","90.513","0.001","99.059","0.001","93.513","0.001","3094.85","0.05","123","0.1","123","0.1","","","","","","","","6","P -1","-P 1","2","","[Cp*Fe(CO)2(P4SnPh3)]","","- C60 H60 Fe2 O4 P8 Sn2 -","- C60 H60 Fe2 O4 P8 Sn2 -","- C120 H120 Fe4 O8 P16 Sn4 -","2","1","","Gilch, Franziska; Brossette, Jan; Westermair, Franz F.; Silva, Wagner; Balázs, Gábor; Gschwind, Ruth M.; Zipse, Hendrik; Wolf, Robert","Selective White Phosphorus Activation and Functionalization with Inorganic Grignard Reagents","Chemical Science","2026","","","","","10.1039/D6SC01229A","","x-ray","1.54184","CuKα","","0.0302","0.0287","","","0.0795","0.0803","","","","","","1.06","","","","has coordinates","305471","2026-04-07","22:15:28",""
"1577051","24.1557","0.0002","24.7875","0.0002","23.3672","0.0001","90","","90","","90","","13991.3","0.17","123","0.1","123","0.1","","","","","","","","6","P c a 21","P 2c -2ac","29","","DepBDIMgFp*","","- C147.72 H190.66 Fe4 Mg4 N8 O8 -","- C147.734 H190.684 Fe4 Mg4 N8 O8 -","- C590.936 H762.736 Fe16 Mg16 N32 O32 -","4","1","","Gilch, Franziska; Brossette, Jan; Westermair, Franz F.; Silva, Wagner; Balázs, Gábor; Gschwind, Ruth M.; Zipse, Hendrik; Wolf, Robert","Selective White Phosphorus Activation and Functionalization with Inorganic Grignard Reagents","Chemical Science","2026","","","","","10.1039/D6SC01229A","","x-ray","1.54184","CuKα","","0.0511","0.0374","","","0.0835","0.0882","","","","","","1.009","","","","has coordinates,has disorder","305471","2026-04-07","22:15:28",""
"1577052","18.329","0.007","18.329","0.007","8.653","0.003","90","","90","","120","","2517.5","1.6","273.15","","273.15","","","","","","","","","5","R 3 m :H","R 3 -2""","160","","","","- C12 H13.5 F9 N3 P1.5 -","- C12 H13.5 F9 N3 P1.5 -","- C72 H81 F54 N18 P9 -","6","0.333333","","Das, Rajorshi; Seethapathy, Logeshwari; M, Rohith; Hazra, Chinmoy Kumar; Samanta, Jayanta; Pramanik, Susnata","One System, Three Functions: An Electroactive Reconfigurable Organic Receptor for Adaptive Binding, Information Encoding, and Metal-Free Oxidation","Materials Horizons","2026","","","","","10.1039/D5MH02406D","","","0.71073","MoKα","","0.0489","0.0479","","","0.1292","0.1307","","","","","","1.085","","","","has coordinates,has disorder","305480","2026-04-08","01:50:56",""
"1577053","6.53","0.002","13.125","0.005","26.157","0.01","89.813","0.013","89.925","0.011","85.934","0.012","2236.2","1.4","273","2","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H37 F18 N6 P3 -","- C40 H37 F18 N6 P3 -","- C80 H74 F36 N12 P6 -","2","1","","Das, Rajorshi; Seethapathy, Logeshwari; M, Rohith; Hazra, Chinmoy Kumar; Samanta, Jayanta; Pramanik, Susnata","One System, Three Functions: An Electroactive Reconfigurable Organic Receptor for Adaptive Binding, Information Encoding, and Metal-Free Oxidation","Materials Horizons","2026","","","","","10.1039/D5MH02406D","","","0.71073","MoKα","","0.1898","0.1382","","","0.3491","0.3834","","","","","","1.104","","","","has coordinates,has disorder","305480","2026-04-08","01:50:56",""
"1577054","14.341","0.002","8.9089","0.0012","9.1627","0.0015","90","","112.327","0.005","90","","1082.9","0.3","273","2","273.15","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C20 H30 F6 Fe P -","- C20 H30 F6 Fe P -","- C40 H60 F12 Fe2 P2 -","2","0.25","","Das, Rajorshi; Seethapathy, Logeshwari; M, Rohith; Hazra, Chinmoy Kumar; Samanta, Jayanta; Pramanik, Susnata","One System, Three Functions: An Electroactive Reconfigurable Organic Receptor for Adaptive Binding, Information Encoding, and Metal-Free Oxidation","Materials Horizons","2026","","","","","10.1039/D5MH02406D","","","0.71073","MoKα","","0.037","0.0355","","","0.0985","0.0993","","","","","","1.176","","","","has coordinates,has disorder","305480","2026-04-08","01:50:56",""
"1577055","14.65","0.006","24.299","0.009","13.101","0.004","90","","110.995","0.011","90","","4354","3","273.15","","273.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H37 F18 N6 P3 -","- C38 H37 F18 N6 P3 -","- C152 H148 F72 N24 P12 -","4","1","","Das, Rajorshi; Seethapathy, Logeshwari; M, Rohith; Hazra, Chinmoy Kumar; Samanta, Jayanta; Pramanik, Susnata","One System, Three Functions: An Electroactive Reconfigurable Organic Receptor for Adaptive Binding, Information Encoding, and Metal-Free Oxidation","Materials Horizons","2026","","","","","10.1039/D5MH02406D","","x-ray","0.71073","MoKα","","0.1334","0.0854","","","0.2053","0.2363","","","","","","1.038","","","","has coordinates,has disorder","305480","2026-04-08","01:50:56",""
"1577056","6.5813","0.0004","26.6373","0.0016","24.8163","0.0016","90","","91.357","0.002","90","","4349.3","0.5","273.15","","273.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H37 F18 N6 P3 -","- C38 H37 F18 N6 P3 -","- C152 H148 F72 N24 P12 -","4","1","","Das, Rajorshi; Seethapathy, Logeshwari; M, Rohith; Hazra, Chinmoy Kumar; Samanta, Jayanta; Pramanik, Susnata","One System, Three Functions: An Electroactive Reconfigurable Organic Receptor for Adaptive Binding, Information Encoding, and Metal-Free Oxidation","Materials Horizons","2026","","","","","10.1039/D5MH02406D","","","0.71073","MoKα","","0.1771","0.1289","","","0.2935","0.3254","","","","","","1.079","","","","has coordinates,has disorder","305480","2026-04-08","01:50:56",""
"1577057","7.1055","0.0004","7.4332","0.0004","24.1047","0.0013","90","","91.787","0.002","90","","1272.51","0.12","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","1,6-hexanediammonium tetrachlorocuprate","catena-(hexane-1,6-diammonium bis(μ-chloro)-dichloro-manganese)","","- C6 H18 Cl4 Mn N2 -","- C6 H18 Cl4 Mn N2 -","- C24 H72 Cl16 Mn4 N8 -","4","1","","El Mustafa Ouaaka; Mustapha Aazza; Thierry Maris; El Mostafa Khechoubi","Structural phase transition, electronic and optical properties of the 2D hybrid organic-inorganic perovskite-type 2C6MnCl4","Physics Letters A","2026","575","","131409","","10.1016/j.physleta.2026.131409","","x-ray","1.34139","GaKα","","0.066","0.0647","","","0.1736","0.1748","","","","","","1.218","","","","has coordinates,has Fobs","305490","2026-04-09","13:12:28",""
"1577058","7.1207","0.0005","7.4159","0.0006","24.1538","0.0019","90","","91.946","0.004","90","","1274.74","0.17","160","","160","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","1,6-hexanediammonium tetrachlorocuprate","catena-(hexane-1,6-diammonium bis(μ-chloro)-dichloro-manganese)","","- C6 H18 Cl4 Mn N2 -","- C6 H18 Cl4 Mn N2 -","- C24 H72 Cl16 Mn4 N8 -","4","1","","El Mustafa Ouaaka; Mustapha Aazza; Thierry Maris; El Mostafa Khechoubi","Structural phase transition, electronic and optical properties of the 2D hybrid organic-inorganic perovskite-type 2C6MnCl4","Physics Letters A","2026","575","","131409","","10.1016/j.physleta.2026.131409","","x-ray","1.34139","GaKα","","0.0729","0.0691","","","0.1972","0.2018","","","","","","1.04","","","","has coordinates,has Fobs","305491","2026-04-09","13:12:32",""
"1577059","7.1327","0.0005","7.4265","0.0006","24.1423","0.0019","90","","91.952","0.004","90","","1278.1","0.17","200","","200","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","1,6-hexanediammonium tetrachlorocuprate","catena-(hexane-1,6-diammonium bis(μ-chloro)-dichloro-manganese)","","- C6 H18 Cl4 Mn N2 -","- C6 H18 Cl4 Mn N2 -","- C24 H72 Cl16 Mn4 N8 -","4","1","","El Mustafa Ouaaka; Mustapha Aazza; Thierry Maris; El Mostafa Khechoubi","Structural phase transition, electronic and optical properties of the 2D hybrid organic-inorganic perovskite-type 2C6MnCl4","Physics Letters A","2026","575","","131409","","10.1016/j.physleta.2026.131409","","x-ray","1.34139","GaKα","","0.0784","0.073","","","0.2157","0.2226","","","","","","1.08","","","","has coordinates,has Fobs","305492","2026-04-09","13:12:35",""
"1577060","13.346","0.0003","7.2874","0.0002","7.1629","0.0002","90","","93.604","0.001","90","","695.27","0.03","250","","250","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1,6-hexanediammonium tetrachlorocuprate","catena-(hexane-1,6-diammonium bis(μ-chloro)-dichloro-manganese)","","- C6 H18 Cl4 Mn N2 -","- C6 H18 Cl4 Mn N2 -","- C12 H36 Cl8 Mn2 N4 -","2","0.5","","El Mustafa Ouaaka; Mustapha Aazza; Thierry Maris; El Mostafa Khechoubi","Structural phase transition, electronic and optical properties of the 2D hybrid organic-inorganic perovskite-type 2C6MnCl4","Physics Letters A","2026","575","","131409","","10.1016/j.physleta.2026.131409","","x-ray","1.34139","GaKα","","0.0329","0.0328","","","0.0881","0.0883","","","","","","1.191","","","","has coordinates,has Fobs","305493","2026-04-09","13:12:38",""
"1577061","13.3204","0.0005","7.3021","0.0003","7.1745","0.0002","90","","93.7109","0.0016","90","","696.38","0.04","290","","290","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1,6-hexanediammonium tetrachlorocuprate","catena-(hexane-1,6-diammonium bis(μ-chloro)-dichloro-manganese)","","- C6 H18 Cl4 Mn N2 -","- C6 H18 Cl4 Mn N2 -","- C12 H36 Cl8 Mn2 N4 -","2","0.5","","El Mustafa Ouaaka; Mustapha Aazza; Thierry Maris; El Mostafa Khechoubi","Structural phase transition, electronic and optical properties of the 2D hybrid organic-inorganic perovskite-type 2C6MnCl4","Physics Letters A","2026","575","","131409","","10.1016/j.physleta.2026.131409","","x-ray","1.34139","GaKα","","0.0303","0.0301","","","0.0923","0.0928","","","","","","1.118","","","","has coordinates,has Fobs","305494","2026-04-09","13:12:50",""
"1577062","4.46","0.0006","24.572","0.004","13.444","0.002","90","","96.81","0.006","90","","1462.9","0.4","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Hydroxy-4-((2-(2-hydroxyethoxy)ethyl)amino)anthracene-9,10-dione","","- C18 H17 N O5 -","- C18 H17 N O5 -","- C72 H68 N4 O20 -","4","1","","Ilies Seddiki; Thierry Maris; William G. Skene","Violet Anthraquinone for Expanding the Color Palette of Electrochromes with Three Discrete Colors and Full Color Bleaching","molecules","2026","31","","879","","10.3390/molecules31050879","","x-ray","1.34139","GaKα","","0.0367","0.0335","","","0.0948","0.0982","","","","","","1.058","","","","has coordinates,has Fobs","305495","2026-04-09","13:25:47",""
"1577063","8.6777","0.0002","11.3747","0.0002","10.359","0.0003","90","","108.099","0.002","90","","971.91","0.04","100","0.6","100","0.6","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H22 B N O -","- C26 H22 B N O -","- C52 H44 B2 N2 O2 -","2","1","","Prindl, Martha I.; McKay, Aidan P.; Cordes, David Bradford; Smith, Andrew D.","The Acylative Kinetic Resolution of 1,2-Azaborine Naphthols","Chemical Science","2026","","","","","10.1039/D6SC02046A","","x-ray","1.54184","CuKα","","0.0303","0.0292","","","0.0764","0.0771","","","","","","1.071","","","","has coordinates","305499","2026-04-09","22:09:05",""
"1577064","10.1296","0.0002","19.0519","0.0003","22.3359","0.0005","90","","101.44","0.002","90","","4224.93","0.15","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27.5 H20 Cl N O -","- C27.5 H20 Cl N O -","- C220 H160 Cl8 N8 O8 -","8","2","","Liu, Luyao; Lou, Jingli; Wan, Jiaxing; Li, Yin; Xiong, Hao; Huang, Yu; Yang, Dezhi; Zhang, Han; Tang, Ben Zhong; Wang, Zhiming","A novel lactam-based AIE building block for high-performance deep-blue electroluminescent materials.","Chemical science","2026","17","20","9921","9929","10.1039/d6sc00940a","","x-ray","1.54184","CuKα","","0.1133","0.1053","","","0.2639","0.268","","","","","","1.168","","","","has coordinates","306324","2026-06-05","18:35:45",""
"1577065","9.805","0.0006","18.3387","0.0011","20.2686","0.0011","63.146","0.006","80.571","0.005","83.606","0.006","3204.7","0.4","102","3","102","3","","","","","","","","4","P -1","-P 1","2","","","","- C45 H30 N2 O -","- C45 H30 N2 O -","- C180 H120 N8 O4 -","4","2","","Liu, Luyao; Lou, Jingli; Wan, Jiaxing; Li, Yin; Xiong, Hao; Huang, Yu; Yang, Dezhi; Zhang, Han; Tang, Ben Zhong; Wang, Zhiming","A novel lactam-based AIE building block for high-performance deep-blue electroluminescent materials.","Chemical science","2026","17","20","9921","9929","10.1039/d6sc00940a","","x-ray","1.54184","CuKα","","0.2111","0.1796","","","0.3447","0.3608","","","","","","1.303","","","","has coordinates","306324","2026-06-05","18:35:45",""
"1577066","11.9187","0.0001","19.0723","0.0002","29.5542","0.0003","90","","91.654","0.001","90","","6715.37","0.11","120","0.1","120","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C45 H30 N2 O -","- C45 H30 N2 O -","- C360 H240 N16 O8 -","8","1","","Liu, Luyao; Lou, Jingli; Wan, Jiaxing; Li, Yin; Xiong, Hao; Huang, Yu; Yang, Dezhi; Zhang, Han; Tang, Ben Zhong; Wang, Zhiming","A novel lactam-based AIE building block for high-performance deep-blue electroluminescent materials.","Chemical science","2026","17","20","9921","9929","10.1039/d6sc00940a","","x-ray","1.54184","CuKα","","0.041","0.0391","","","0.1078","0.1097","","","","","","1.014","","","","has coordinates","306324","2026-06-05","18:35:45",""
"1577067","6.8546","0.0019","10.786","0.003","17.373","0.005","90","","90","","90","","1284.5","0.6","100","2","100","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C10 H26 B20 Cl2 Sb2 -","- C10 H26 B20 Cl2 Sb2 -","- C20 H52 B40 Cl4 Sb4 -","2","0.25","","Rubio, Victoria P.; Durham, Mckinley H.; Scurria, Matthew; Kerr, Tyler A.; Gutierrez, Osvaldo; Spokoyny, Alex","Bridging Lewis Acidic Antimony Centers with Electron-Withdrawing Carborane Cages","Chemical Science","2026","","","","","10.1039/D6SC00316H","","x-ray","0.71073","MoKα","","0.0903","0.0542","","","0.1445","0.1596","","","","","","1.087","","","","has coordinates,has disorder","305501","2026-04-09","22:09:55",""
"1577068","12.465","0.003","15.988","0.003","15.958","0.003","90","","101.726","0.005","90","","3113.9","1.1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H30 B10 Cl2 O Sb2 -","- C26 H30 B10 Cl2 O Sb2 -","- C104 H120 B40 Cl8 O4 Sb8 -","4","1","","Rubio, Victoria P.; Durham, Mckinley H.; Scurria, Matthew; Kerr, Tyler A.; Gutierrez, Osvaldo; Spokoyny, Alex","Bridging Lewis Acidic Antimony Centers with Electron-Withdrawing Carborane Cages","Chemical Science","2026","","","","","10.1039/D6SC00316H","","x-ray","0.71073","MoKα","","0.1623","0.073","","","0.1135","0.1404","","","","","","1","","","","has coordinates","305501","2026-04-09","22:09:55",""
"1577069","14.6303","0.0017","15.9306","0.0018","16.1327","0.0018","68.646","0.002","72.498","0.002","68.897","0.002","3204.2","0.6","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C57 H69 B10 Cl8 F N O4 Sb2 -","- C57 H69 B10 Cl8 F N O4 Sb2 -","- C114 H138 B20 Cl16 F2 N2 O8 Sb4 -","2","1","","Rubio, Victoria P.; Durham, Mckinley H.; Scurria, Matthew; Kerr, Tyler A.; Gutierrez, Osvaldo; Spokoyny, Alex","Bridging Lewis Acidic Antimony Centers with Electron-Withdrawing Carborane Cages","Chemical Science","2026","","","","","10.1039/D6SC00316H","","x-ray","0.71073","MoKα","","0.061","0.0386","","","0.0627","0.0685","","","","","","1.028","","","","has coordinates","305501","2026-04-09","22:09:55",""
"1577070","14.4191","0.0014","19.0361","0.0018","16.3885","0.0016","90","","100.573","0.002","90","","4422","0.7","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H45 B10 Cl4 O3 P Sb2 -","- C38 H45 B10 Cl4 O3 P Sb2 -","- C152 H180 B40 Cl16 O12 P4 Sb8 -","4","1","","Rubio, Victoria P.; Durham, Mckinley H.; Scurria, Matthew; Kerr, Tyler A.; Gutierrez, Osvaldo; Spokoyny, Alex","Bridging Lewis Acidic Antimony Centers with Electron-Withdrawing Carborane Cages","Chemical Science","2026","","","","","10.1039/D6SC00316H","","x-ray","0.71073","MoKα","","0.0441","0.0296","","","0.0608","0.0653","","","","","","1.06","","","","has coordinates,has disorder","305501","2026-04-09","22:09:55",""
"1577071","13.1762","0.0014","13.5391","0.0014","18.6724","0.0019","71.828","0.002","74.388","0.002","82.052","0.002","3042.8","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H47 B10 Cl14 O5 P Sb2 -","- C46.0006 H47.0006 B10 Cl14.0018 O5 P Sb2 -","- C92.0012 H94.0012 B20 Cl28.0036 O10 P2 Sb4 -","2","1","","Rubio, Victoria P.; Durham, Mckinley H.; Scurria, Matthew; Kerr, Tyler A.; Gutierrez, Osvaldo; Spokoyny, Alex","Bridging Lewis Acidic Antimony Centers with Electron-Withdrawing Carborane Cages","Chemical Science","2026","","","","","10.1039/D6SC00316H","","x-ray","0.71073","MoKα","","0.0682","0.0442","","","0.0851","0.0922","","","","","","1.07","","","","has coordinates,has disorder","305501","2026-04-09","22:09:55",""
"1577072","28.04","0.002","9.8956","0.0008","19.6271","0.0015","90","","133.375","0.0015","90","","3958.5","0.5","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C40 H46 B10 Sb2 -","- C40 H46 B10 Sb2 -","- C160 H184 B40 Sb8 -","4","0.5","","Rubio, Victoria P.; Durham, Mckinley H.; Scurria, Matthew; Kerr, Tyler A.; Gutierrez, Osvaldo; Spokoyny, Alex","Bridging Lewis Acidic Antimony Centers with Electron-Withdrawing Carborane Cages","Chemical Science","2026","","","","","10.1039/D6SC00316H","","x-ray","0.71073","MoKα","","0.052","0.0455","","","0.1042","0.1085","","","","","","1.206","","","","has coordinates","305501","2026-04-09","22:09:55",""
"1577073","14.641","0.003","19.23","0.004","9.781","0.0019","90","","90","","90","","2753.8","1","100","2","100","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C16 H30 B20 Sb2 -","- C16 H30 B20 Sb2 -","- C64 H120 B80 Sb8 -","4","0.5","","Rubio, Victoria P.; Durham, Mckinley H.; Scurria, Matthew; Kerr, Tyler A.; Gutierrez, Osvaldo; Spokoyny, Alex","Bridging Lewis Acidic Antimony Centers with Electron-Withdrawing Carborane Cages","Chemical Science","2026","","","","","10.1039/D6SC00316H","","x-ray","0.71073","MoKα","","0.0244","0.0196","","","0.0436","0.0449","","","","","","1.067","","","","has coordinates","305501","2026-04-09","22:09:55",""
"1577074","9.5441","0.0012","14.821","0.002","11.1946","0.0015","90","","111.271","0.004","90","","1475.6","0.3","100","2","100","","","","","","","","synthetic","4","P 1 21 1","P 2yb","4","","","","- C16 H21 N O -","- C16 H21 N O -","- C64 H84 N4 O4 -","4","2","","Chung, Duy T. M.; Nguyen, Khiem Chau; Liu, Yizhou; Lindsey, Jonathan S.","Synthesis of bacteriochlorophyll <i>a</i>.","Chemical science","2026","17","15","7454","7465","10.1039/d5sc10233b","","","1.54178","CuKα","","0.0361","0.0354","","","0.092","0.0933","","","","","","1.045","","","","has coordinates","305782","2026-05-05","08:57:20",""
"1577075","12.0469","0.0013","7.654","0.001","17.8313","0.0019","90","","103.462","0.006","90","","1599","0.3","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H21 N O4 S -","- C15 H21 N O4 S -","- C60 H84 N4 O16 S4 -","4","2","","Chung, Duy T. M.; Nguyen, Khiem Chau; Liu, Yizhou; Lindsey, Jonathan S.","Synthesis of bacteriochlorophyll <i>a</i>.","Chemical science","2026","17","15","7454","7465","10.1039/d5sc10233b","","","1.54178","CuKα","","0.0627","0.0504","","","0.117","0.1287","","","","","","1.093","","","","has coordinates","305782","2026-05-05","08:57:20",""
"1577076","4.913","0.0006","11.0001","0.0014","13.3169","0.0017","90","","93.04","0.005","90","","718.68","0.16","100","2","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H15 Br2 N O -","- C14 H15 Br2 N O -","- C28 H30 Br4 N2 O2 -","2","1","","Chung, Duy T. M.; Nguyen, Khiem Chau; Liu, Yizhou; Lindsey, Jonathan S.","Synthesis of bacteriochlorophyll <i>a</i>.","Chemical science","2026","17","15","7454","7465","10.1039/d5sc10233b","","","1.54178","CuKα","","0.0345","0.0331","","","0.0859","0.087","","","","","","1.056","","","","has coordinates","305782","2026-05-05","08:57:20",""
"1577077","7.65975","0.0001","13.30111","0.00012","27.3888","0.0003","90","","90","","90","","2790.46","0.05","104","6","104","6","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C27 H29 Au Cl F3 N O3 P S -","- C27 H29 Au Cl F3 N O3 P S -","- C108 H116 Au4 Cl4 F12 N4 O12 P4 S4 -","4","1","","Bedajna, Shantabh; Reynolds, Kristopher G.; Karimi, Mohammadjavad; Litle, Elishua; Nocera, Daniel G.; Gabbaï, François P.","Visible-Light-Induced Chlorine Photoelimination from Acridinium-Phosphine Gold(III) Complexes","Chemical Science","2026","","","","","10.1039/D6SC01586G","","x-ray","1.54184","CuKα","","0.0448","0.0433","","","0.0859","0.0865","","","","","","1.19","","","","has coordinates","305511","2026-04-10","22:28:34",""
"1577078","42.1046","0.0006","9.75864","0.00016","15.4366","0.0003","90","","95.2951","0.0016","90","","6315.58","0.18","99.99","0.1","99.99","0.1","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C32 H27 Au B Cl3 F4 N O P -","- C32 H27 Au B Cl3 F4 N O P -","- C256 H216 Au8 B8 Cl24 F32 N8 O8 P8 -","8","1","","Bedajna, Shantabh; Reynolds, Kristopher G.; Karimi, Mohammadjavad; Litle, Elishua; Nocera, Daniel G.; Gabbaï, François P.","Visible-Light-Induced Chlorine Photoelimination from Acridinium-Phosphine Gold(III) Complexes","Chemical Science","2026","","","","","10.1039/D6SC01586G","","x-ray","1.54184","CuKα","","0.0465","0.0329","","","0.0797","0.0907","","","","","","1.059","","","","has coordinates","305511","2026-04-10","22:28:34",""
"1577079","8.39628","0.0001","13.4781","0.00019","26.5206","0.0003","90","","93.8449","0.001","90","","2994.47","0.06","100","0.1","100","0.1","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C27 H29 Au Cl3 F3 N O3 P S -","- C27 H29 Au Cl3 F3 N O3 P S -","- C108 H116 Au4 Cl12 F12 N4 O12 P4 S4 -","4","1","","Bedajna, Shantabh; Reynolds, Kristopher G.; Karimi, Mohammadjavad; Litle, Elishua; Nocera, Daniel G.; Gabbaï, François P.","Visible-Light-Induced Chlorine Photoelimination from Acridinium-Phosphine Gold(III) Complexes","Chemical Science","2026","","","","","10.1039/D6SC01586G","","x-ray","1.54184","CuKα","","0.0315","0.029","","","0.0816","0.0831","","","","","","1.111","","","","has coordinates","305511","2026-04-10","22:28:34",""
"1577080","16.1908","0.0002","16.1908","0.0002","16.1908","0.0002","90","","90","","90","","4244.29","0.09","293","2","293","2","","","","","","","","6","P m -3 n","-P 4n 2 3","223","","","","- C20 H12 Cu F6 N8 Si -","- C20 H12 Cu F6 N8 Si -","- C120 H72 Cu6 F36 N48 Si6 -","6","0.125","","Wu, Jun-Jie; Zhang, Peng-Dan; Wu, Xue-Qian; Huang, Shuai-Hao; Dong, Wen-Wen; Wu, Ya-Pan; Li, Dong-Sheng","Linker desymmetrisation directs low-polar cages in an anion-pillared MOF for acetylene and ethylene purification from ternary mixtures.","Chemical science","2026","17","20","10271","10280","10.1039/d6sc00819d","","x-ray","1.54184","CuKα","","0.0959","0.0915","","","0.2778","0.2831","","","","","","1.125","","","","has coordinates","306325","2026-06-05","18:35:49",""
"1577081","8.6205","0.0005","9.5989","0.0007","10.4231","0.0006","90","","90","","90","","862.48","0.09","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C2 K N7 O6 -","- C2 K N7 O6 -","- C8 K4 N28 O24 -","4","1","","Lal, Sohan; Staples, Richard J.; Shreeve, Jean'ne M.","Potassium Trinitromethyl Tetrazole (TNMT-K): A New Member of the Primary Explosive Family","Materials Horizons","2026","","","","","10.1039/D6MH00019C","","x-ray","1.54184","CuKα","","0.0516","0.0414","","","0.0956","0.0991","","","","","","1.083","","","","has coordinates","305517","2026-04-11","02:12:58",""
"1577082","16.1442","0.0009","16.3268","0.001","22.4903","0.0015","90","","96.065","0.004","90","","5894.9","0.6","110","","110","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C56.03 H96.07 Al4 N2 Si2 -","- C56.036 H96.084 Al4 N2 Si2 -","- C224.144 H384.336 Al16 N8 Si8 -","4","0.5","","Reuel, Paris C.; Shandilya, Yogesh; Wattoo, M. Talha; Altman, Alison B.","Aluminylation: a generalizable route towards low-valent aluminum under moderate conditions with controlled product nuclearity through precursor design.","Chemical science","2026","17","20","10251","10259","10.1039/d6sc02187e","","","1.54178","CuKα","","0.1142","0.0803","","","0.1915","0.2232","","","","","","1.081","","","","has coordinates,has disorder","306319","2026-06-05","18:35:18",""
"1577083","10.8117","0.0006","14.0773","0.0008","19.9743","0.0011","74.173","0.003","86.035","0.003","86.57","0.004","2915.2","0.3","110","","110","","","","","","","","","5","P -1","-P 1","2","","","","- C62 H94 Li2 N4 O -","- C62 H94 Li2 N4 O -","- C124 H188 Li4 N8 O2 -","2","1","","Reuel, Paris C.; Shandilya, Yogesh; Wattoo, M. Talha; Altman, Alison B.","Aluminylation: a generalizable route towards low-valent aluminum under moderate conditions with controlled product nuclearity through precursor design.","Chemical science","2026","17","20","10251","10259","10.1039/d6sc02187e","","","1.54178","CuKα","","0.1368","0.0938","","","0.2276","0.2717","","","","","","1.039","","","","has coordinates,has disorder","306319","2026-06-05","18:35:18",""
"1577084","10.9764","0.0009","13.9661","0.0012","21.8278","0.0019","103.5","0.005","93.255","0.005","111.999","0.004","2977.9","0.5","130","","130","","","","","","","","","4","P -1","-P 1","2","","","","- C60 H88 Al5 N2 -","- C60 H88 Al5 N2 -","- C120 H176 Al10 N4 -","2","1","","Reuel, Paris C.; Shandilya, Yogesh; Wattoo, M. Talha; Altman, Alison B.","Aluminylation: a generalizable route towards low-valent aluminum under moderate conditions with controlled product nuclearity through precursor design.","Chemical science","2026","17","20","10251","10259","10.1039/d6sc02187e","","","1.54178","CuKα","","0.1277","0.0941","","","0.1861","0.2101","","","","","","1.072","","","","has coordinates","306319","2026-06-05","18:35:18",""
"1577085","12.395","0.0007","10.6767","0.0007","24.4982","0.0014","90","","98.873","0.003","90","","3203.2","0.3","110","","110","","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C70 H100 Al2 D6 N4 -","- C64 H86 Al2 D6 N4 -","- C128 H172 Al4 D12 N8 -","2","1","","Reuel, Paris C.; Shandilya, Yogesh; Wattoo, M. Talha; Altman, Alison B.","Aluminylation: a generalizable route towards low-valent aluminum under moderate conditions with controlled product nuclearity through precursor design.","Chemical science","2026","17","20","10251","10259","10.1039/d6sc02187e","","","1.54178","CuKα","","0.1148","0.0773","","","0.1811","0.2085","","","","","","1.066","","","","has coordinates","306319","2026-06-05","18:35:18",""
"1577086","12.402","0.0005","10.7732","0.0004","24.5107","0.001","90","","99.104","0.002","90","","3233.6","0.2","110","","110","","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C71.99 H101.98 Al2 N4 -","- C64.99 H93.98 Al2 N4 -","- C129.98 H187.96 Al4 N8 -","2","1","","Reuel, Paris C.; Shandilya, Yogesh; Wattoo, M. Talha; Altman, Alison B.","Aluminylation: a generalizable route towards low-valent aluminum under moderate conditions with controlled product nuclearity through precursor design.","Chemical science","2026","17","20","10251","10259","10.1039/d6sc02187e","","","1.54178","CuKα","","0.105","0.0834","","","0.216","0.2485","","","","","","1.051","","","","has coordinates,has disorder","306319","2026-06-05","18:35:18",""
"1577087","20.903","0.003","8.2203","0.001","17.5505","0.0019","90","","105.955","0.008","90","","2899.5","0.6","100.04","","100.04","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C48.866 H72.693 La2 N8 O30 -","- C48.866 H72.694 La2 N8 O30 -","- C97.732 H145.388 La4 N16 O60 -","2","0.5","","Gao, Yangyang; Medin, Sean; Schmitz, Alexa M.; Wilson, Justin J.","Picolinate-based acyclic ligand for rare earth element extraction and separation.","Chemical science","2026","17","20","10237","10250","10.1039/d6sc00975a","","","0.71073","MoKα","","0.0625","0.0409","","","0.0723","0.0795","","","","","","1.0195","","","","has coordinates,has disorder","306321","2026-06-05","18:35:31",""
"1577088","12.6507","0.0008","17.9247","0.0011","25.9006","0.0019","79.65","0.004","79.495","0.004","73.761","0.004","5492.6","0.6","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C71 H53 N O2 -","- C71 H53 N O2 -","- C284 H212 N4 O8 -","4","2","","Ming, Jiao; Zhang, Jin; Hu, Yan; Lan, Kai; Zhang, Dongmei; Li, Ping; Miao, Jiarong; Jiang, Jiyong; Zhang, Xiaobo; Zhong, Hanchi; Yu, Peiyuan; Cheng, Chuyang","A dual-responsive cationic acridinium nanohoop: redox activity and acid/base-controlled reversible guest capture and release.","Chemical science","2026","17","21","10744","10754","10.1039/d6sc01132b","","","1.34139","GaKα","","0.2425","0.1515","","","0.2959","0.3501","","","","","","0.831","","","","has coordinates","306356","2026-06-05","18:41:00",""
"1577089","10.5922","0.0009","17.7237","0.0015","19.0853","0.0017","113.419","0.006","92.807","0.007","104.671","0.006","3135.1","0.5","213","","213","","","","","","","","","5","P -1","-P 1","2","","","","- C73.5 H59 Cl N O -","- C73.5 H59 Cl N O -","- C147 H118 Cl2 N2 O2 -","2","1","","Ming, Jiao; Zhang, Jin; Hu, Yan; Lan, Kai; Zhang, Dongmei; Li, Ping; Miao, Jiarong; Jiang, Jiyong; Zhang, Xiaobo; Zhong, Hanchi; Yu, Peiyuan; Cheng, Chuyang","A dual-responsive cationic acridinium nanohoop: redox activity and acid/base-controlled reversible guest capture and release.","Chemical science","2026","17","21","10744","10754","10.1039/d6sc01132b","","","1.34139","GaKα","","0.2127","0.1185","","","0.2652","0.3195","","","","","","0.828","","","","has coordinates","306356","2026-06-05","18:41:00",""
"1577090","9.8726","0.0018","17.269","0.003","31.681","0.005","78.618","0.008","89.112","0.008","78.742","0.008","5191.7","1.6","100","","100","","","","","","","","","5","P 1","P 1","1","","","","- C322 H156 F18 N2 O12 -","- C322 H156 F18 N2 O12 -","- C322 H156 F18 N2 O12 -","1","1","","Ming, Jiao; Zhang, Jin; Hu, Yan; Lan, Kai; Zhang, Dongmei; Li, Ping; Miao, Jiarong; Jiang, Jiyong; Zhang, Xiaobo; Zhong, Hanchi; Yu, Peiyuan; Cheng, Chuyang","A dual-responsive cationic acridinium nanohoop: redox activity and acid/base-controlled reversible guest capture and release.","Chemical science","2026","17","21","10744","10754","10.1039/d6sc01132b","","","1.34139","GaKα","","0.2184","0.1476","","","0.3683","0.4298","","","","","","1.53","","","","has coordinates,has disorder","306356","2026-06-05","18:41:00",""
"1577091","14.1524","0.0008","8.1924","0.0004","8.6986","0.0005","90","","107.039","0.006","90","","964.27","0.1","300.5","0.7","300.5","0.7","","","","","","","","5","C 1 c 1","C -2yc","9","(C6H9N2SO2)(NO3)","","","- C6 H9 N3 O5 S -","- C6 H9 N3 O5 S -","- C24 H36 N12 O20 S4 -","4","1","","Zhang, Mingshu; Zhao, Shuya; Wu, Zhen-Cheng; Yin, Yue; Zhang, Zheyu; Chen, Jiafeng; Guo, Sheng-Ping; Zhou, Yan","Regulating KBBF-like structures <i>via</i> a charge-assisted hydrogen-bonded framework to enable easily grown ultraviolet nonlinear optical crystals.","Chemical science","2026","17","20","9930","9937","10.1039/d5sc09306f","","x-ray","0.71073","MoKα","","0.0244","0.0237","","","0.0625","0.0629","","","","","","1.07","","","","has coordinates","306320","2026-06-05","18:35:22",""
"1577092","13.162","0.003","14.991","0.004","16.491","0.004","79.736","0.012","78.645","0.009","66.662","0.01","2911","1.3","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C71 H77 Cl0.5 N5 O0.5 -","- C72 H78 Cl N5 -","- C144 H156 Cl2 N10 -","2","1","","Pal, Manisha; Karak, Pirudhan; Hati, Debranjan; Giri, Mrityunjay; George, Subi J.; Choudhury, Joyanta","Inducing configurational stability in inherently flexible expanded heterohelicenes and unlocking stimuli-responsive chiroptical switching","Chemical Science","2026","","","","","10.1039/D6SC02610A","","","0.71073","MoKα","","0.1342","0.112","","","0.3035","0.3218","","","","","","1.082","","","","has coordinates","305530","2026-04-13","22:13:44",""
"1577093","18.5767","0.0003","16.6595","0.0003","22.1764","0.0003","90","","90","","90","","6863.12","0.19","295","2","295","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C37 H42 O10 -","- C37 H42 O10 -","- C296 H336 O80 -","8","1","","Zhang, Ruike; Liu, Wenqian; Zhou, Jiong","Reversible iodine capture by nonporous adaptive hybrid[3]arene crystals.","Chemical science","2026","17","21","10653","10657","10.1039/d6sc00236f","","","1.54178","CuKα","","0.0493","0.0441","","","0.1278","0.1341","","","","","","1.004","","","","has coordinates","306687","2026-07-05","06:43:10",""
"1577094","20.5399","0.0003","17.969","0.0003","24.9689","0.0003","90","","90","","90","","9215.6","0.2","100.15","","100.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C37 H42 I2 O10 -","- C37 H42 I2 O10 -","- C296 H336 I16 O80 -","8","1","","Zhang, Ruike; Liu, Wenqian; Zhou, Jiong","Reversible iodine capture by nonporous adaptive hybrid[3]arene crystals.","Chemical science","2026","17","21","10653","10657","10.1039/d6sc00236f","","","1.54178","CuKα","","0.2631","0.1998","","","0.3749","0.3804","","","","","","1.603","","","","has coordinates","306687","2026-07-05","06:43:10",""
"1577095","23.9011","0.0015","15.7772","0.001","9.6867","0.0005","90","","90","","90","","3652.8","0.4","295","0.1","295","0.1","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C6 H9 Br6 N3 Pb2 -","- C6 H9 Br6 N3 Pb2 -","- C48 H72 Br48 N24 Pb16 -","8","1","","Dai, Hongliang; Zhu, Zeng-Kui; You, Shihai; Luo, Junhua","Centimeter-Sized Single Crystals of 3D Perovskitiod (4-AP)Pb2X6 (X = Br, I) for Efficient and Stable X-ray Detection","Chemical Science","2026","","","","","10.1039/D6SC00616G","","x-ray","0.71073","MoKα","","0.0615","0.0352","","","0.0731","0.0867","","","","","","1.0612","","","","has coordinates","305555","2026-04-16","22:23:04",""
"1577096","25.505","0.0012","16.5271","0.0009","10.0933","0.0006","90","","90","","90","","4254.6","0.4","295","0.1","295","0.1","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C6 H8 I6 N3 Pb2 -","- C6 H9 I6 N3 Pb2 -","- C48 H72 I48 N24 Pb16 -","8","1","","Dai, Hongliang; Zhu, Zeng-Kui; You, Shihai; Luo, Junhua","Centimeter-Sized Single Crystals of 3D Perovskitiod (4-AP)Pb2X6 (X = Br, I) for Efficient and Stable X-ray Detection","Chemical Science","2026","","","","","10.1039/D6SC00616G","","x-ray","0.71073","MoKα","","0.064","0.0419","","","0.0917","0.1038","","","","","","1.054","","","","has coordinates","305555","2026-04-16","22:23:04",""
"1577097","8.5176","0.0004","7.522","0.0004","20.2681","0.0011","90","","101.123","0.003","90","","1274.17","0.11","220","","220","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C38 H24 F N -","- C38 H24 F N -","- C76 H48 F2 N2 -","2","1","","Li, Junwei; Wang, Fen; He, Xian; Huang, Genping; Rong, Zi-Qiang; Li, Xingwei","Rhodium-Catalyzed Atroposelective C-H Fluoroallylation of Heteroarenes with gem-Difluocyclopropanes","Chemical Science","2026","","","","","10.1039/D5SC08914J","","","1.54178","CuKα","","0.0361","0.0319","","","0.0785","0.0817","","","","","","1.077","","","","has coordinates","305556","2026-04-16","22:23:11",""
"1577098","6.5571","0.0019","12.974","0.002","12.042","0.002","90","","97.096","0.011","90","","1016.6","0.4","100","2","100","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C11 H30 Cl2 P4 Pt2 -","- C11 H30 Cl2 P4 Pt2 -","- C22 H60 Cl4 P8 Pt4 -","2","1","","Passargus, Max; Nieuwland, Celine; Arrowsmith, Merle; Bickelhaupt, F. Matthias; Braunschweig, Holger","Cooperative reactivity of halomethanes and -silanes at an A-frame complex: transannular addition <i>versus</i> bridging tetrylenes.","Chemical science","2026","17","21","10547","10558","10.1039/d6sc00337k","","x-ray","0.71073","MoKα","K-L~2,3~","0.0174","0.0166","","","0.0367","0.0371","","","","","","1.051","","","","has coordinates","306688","2026-07-05","06:43:36",""
"1577099","18.672","0.004","10.955","0.004","13.051","0.005","90","","117.21","0.03","90","","2374.2","1.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H32 Br4 P4 Pt2 -","- C12 H32 Br4 P4 Pt2 -","- C48 H128 Br16 P16 Pt8 -","4","0.5","","Passargus, Max; Nieuwland, Celine; Arrowsmith, Merle; Bickelhaupt, F. Matthias; Braunschweig, Holger","Cooperative reactivity of halomethanes and -silanes at an A-frame complex: transannular addition <i>versus</i> bridging tetrylenes.","Chemical science","2026","17","21","10547","10558","10.1039/d6sc00337k","","x-ray","0.71073","MoKα","K-L~2,3~","0.071","0.0414","","","0.0706","0.0801","","","","","","1.014","","","","has coordinates","306688","2026-07-05","06:43:36",""
"1577100","13.9003","0.0012","16.8782","0.0015","12.3088","0.001","90","","109.79","0.003","90","","2717.2","0.4","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C17 H36 I2 P4 Pt2 -","- C17 H36 I2 P4 Pt2 -","- C68 H144 I8 P16 Pt8 -","4","1","","Passargus, Max; Nieuwland, Celine; Arrowsmith, Merle; Bickelhaupt, F. Matthias; Braunschweig, Holger","Cooperative reactivity of halomethanes and -silanes at an A-frame complex: transannular addition <i>versus</i> bridging tetrylenes.","Chemical science","2026","17","21","10547","10558","10.1039/d6sc00337k","","x-ray","0.71073","MoKα","K-L~2,3~","0.024","0.0224","","","0.0429","0.0436","","","","","","0.971","","","","has coordinates,has disorder","306688","2026-07-05","06:43:36",""
"1577101","9.639","0.004","29.672","0.011","9.783","0.004","90","","94.077","0.013","90","","2790.9","1.9","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H40 Cl2 P4 Pt2 Si -","- C18 H40 Cl2 P4 Pt2 Si -","- C72 H160 Cl8 P16 Pt8 Si4 -","4","1","","Passargus, Max; Nieuwland, Celine; Arrowsmith, Merle; Bickelhaupt, F. Matthias; Braunschweig, Holger","Cooperative reactivity of halomethanes and -silanes at an A-frame complex: transannular addition <i>versus</i> bridging tetrylenes.","Chemical science","2026","17","21","10547","10558","10.1039/d6sc00337k","","x-ray","0.71073","MoKα","K-L~2,3~","0.0416","0.0329","","","0.0697","0.074","","","","","","1.046","","","","has coordinates,has disorder","306688","2026-07-05","06:43:36",""
"1577102","16.205","0.003","12.4401","0.0017","12.88","0.003","90","","103.351","0.009","90","","2526.3","0.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H31 Cl4 P4 Pt2 Si -","- C13 H31 Cl4 P4 Pt2 Si -","- C52 H124 Cl16 P16 Pt8 Si4 -","4","1","","Passargus, Max; Nieuwland, Celine; Arrowsmith, Merle; Bickelhaupt, F. Matthias; Braunschweig, Holger","Cooperative reactivity of halomethanes and -silanes at an A-frame complex: transannular addition <i>versus</i> bridging tetrylenes.","Chemical science","2026","17","21","10547","10558","10.1039/d6sc00337k","","x-ray","0.71073","MoKα","K-L~2,3~","0.0318","0.0294","","","0.0736","0.0752","","","","","","1.077","","","","has coordinates","306688","2026-07-05","06:43:36",""
"1577103","36.193","0.0009","36.193","0.0009","11.8809","0.0005","90","","90","","120","","13478.1","0.7","100","2","100","2","","","","","","","","18","R -3 :H","-R 3","148","","","","- C13.5 H35 Br3 Cl3 P4 Pt2 Si a an e ed ez ha lf nt pe sq ue -","- C8.25 H22.5 Br2.25 Cl2.25 P3 Pt1.5 Si0.75 -","- C198 H540 Br54 Cl54 P72 Pt36 Si18 -","24","1.33333","","Passargus, Max; Nieuwland, Celine; Arrowsmith, Merle; Bickelhaupt, F. Matthias; Braunschweig, Holger","Cooperative reactivity of halomethanes and -silanes at an A-frame complex: transannular addition <i>versus</i> bridging tetrylenes.","Chemical science","2026","17","21","10547","10558","10.1039/d6sc00337k","","x-ray","0.71073","MoKα","K-L~2,3~","0.0458","0.0331","","","0.067","0.0709","","","","","","1.03","","","","has coordinates","306688","2026-07-05","06:43:36",""
"1577104","8.8989","0.0015","14.2185","0.0017","24.703","0.005","90","","90","","90","","3125.6","0.9","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H42 Br2 P4 Pt2 -","- C23 H42 Br2 P4 Pt2 -","- C92 H168 Br8 P16 Pt8 -","4","1","","Passargus, Max; Nieuwland, Celine; Arrowsmith, Merle; Bickelhaupt, F. Matthias; Braunschweig, Holger","Cooperative reactivity of halomethanes and -silanes at an A-frame complex: transannular addition <i>versus</i> bridging tetrylenes.","Chemical science","2026","17","21","10547","10558","10.1039/d6sc00337k","","x-ray","0.71073","MoKα","K-L~2,3~","0.0309","0.0253","","","0.0422","0.0437","","","","","","1.105","","","","has coordinates,has disorder","306688","2026-07-05","06:43:36",""
"1577105","16.867","0.004","9.601","0.003","16.707","0.004","90","","116.809","0.008","90","","2414.7","1.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H29 Cl5 P4 Pt2 Si -","- C10 H29 Cl5 P4 Pt2 Si -","- C40 H116 Cl20 P16 Pt8 Si4 -","4","1","","Passargus, Max; Nieuwland, Celine; Arrowsmith, Merle; Bickelhaupt, F. Matthias; Braunschweig, Holger","Cooperative reactivity of halomethanes and -silanes at an A-frame complex: transannular addition <i>versus</i> bridging tetrylenes.","Chemical science","2026","17","21","10547","10558","10.1039/d6sc00337k","","x-ray","0.71073","MoKα","K-L~2,3~","0.0526","0.0442","","","0.0913","0.0944","","","","","","1.103","","","","has coordinates","306688","2026-07-05","06:43:36",""
"1577106","32.531","0.002","16.2293","0.0015","12.3818","0.0011","90","","94.934","0.003","90","","6512.8","0.9","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21.5 H46 I P4 Pt2 Si -","- C19 H43 I P4 Pt2 Si -","- C152 H344 I8 P32 Pt16 Si8 -","8","1","","Passargus, Max; Nieuwland, Celine; Arrowsmith, Merle; Bickelhaupt, F. Matthias; Braunschweig, Holger","Cooperative reactivity of halomethanes and -silanes at an A-frame complex: transannular addition <i>versus</i> bridging tetrylenes.","Chemical science","2026","17","21","10547","10558","10.1039/d6sc00337k","","x-ray","0.71073","MoKα","K-L~2,3~","0.0513","0.0362","","","0.0734","0.079","","","","","","1.026","","","","has coordinates,has disorder","306688","2026-07-05","06:43:36",""
"1577107","10.199","0.003","9.446","0.002","29.217","0.008","90","","90.426","0.01","90","","2814.7","1.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C17 H35 Cl3 F2 P4 Pt2 Si -","- C17 H35 Cl3 F2 P4 Pt2 Si -","- C68 H140 Cl12 F8 P16 Pt8 Si4 -","4","1","","Passargus, Max; Nieuwland, Celine; Arrowsmith, Merle; Bickelhaupt, F. Matthias; Braunschweig, Holger","Cooperative reactivity of halomethanes and -silanes at an A-frame complex: transannular addition <i>versus</i> bridging tetrylenes.","Chemical science","2026","17","21","10547","10558","10.1039/d6sc00337k","","x-ray","0.71073","MoKα","K-L~2,3~","0.037","0.0325","","","0.0697","0.0712","","","","","","1.175","","","","has coordinates,has disorder","306688","2026-07-05","06:43:36",""
"1577108","9.5871","0.0001","29.4441","0.0002","9.7383","0.0001","90","","94.366","0.001","90","","2740.98","0.04","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H34 Cl4 P4 Pt2 Si -","- C16 H34 Cl4 P4 Pt2 Si -","- C64 H136 Cl16 P16 Pt8 Si4 -","4","1","","Passargus, Max; Nieuwland, Celine; Arrowsmith, Merle; Bickelhaupt, F. Matthias; Braunschweig, Holger","Cooperative reactivity of halomethanes and -silanes at an A-frame complex: transannular addition <i>versus</i> bridging tetrylenes.","Chemical science","2026","17","21","10547","10558","10.1039/d6sc00337k","","x-ray","1.54184","CuKα","K-L~2,3~","0.0188","0.0182","","","0.0437","0.044","","","","","","1.124","","","","has coordinates,has disorder","306688","2026-07-05","06:43:36",""
"1577109","6.8052","0.0006","6.9176","0.0005","14.193","0.0012","90","","98.816","0.003","90","","660.25","0.09","296.15","","296.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C4 H13 Cl4 N5 Zn -","- C4 H13 Cl4 N5 Zn -","- C8 H26 Cl8 N10 Zn2 -","2","1","","Wu, Jiajing; Li, Ruo-Nan; Yao, Wen-Dong; Fu, Yi-Fan; Guo, Sheng-Ping","Point-to-Volume Engineering Enables Enhanced Birefringence and Wide Bandgap in Hybrid Halide Ultraviolet Nonlinear Optical Crystals","Chemical Science","2026","","","","","10.1039/D6SC00466K","","","0.71073","MoKα","","0.0268","0.0231","","","0.0475","0.0484","","","","","","1.03","","","","has coordinates","305559","2026-04-16","22:24:00",""
"1577110","7.1245","0.0005","5.7932","0.0004","12.5446","0.0008","90","","105.077","0.002","90","","499.94","0.06","296.15","","296.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C4 H13 Cl2 N5 -","- C4 H13 Cl2 N5 -","- C8 H26 Cl4 N10 -","2","1","","Wu, Jiajing; Li, Ruo-Nan; Yao, Wen-Dong; Fu, Yi-Fan; Guo, Sheng-Ping","Point-to-Volume Engineering Enables Enhanced Birefringence and Wide Bandgap in Hybrid Halide Ultraviolet Nonlinear Optical Crystals","Chemical Science","2026","","","","","10.1039/D6SC00466K","","","0.71073","MoKα","","0.0439","0.033","","","0.068","0.0714","","","","","","1.05","","","","has coordinates","305559","2026-04-16","22:24:00",""
"1577111","16.1923","0.0008","17.8281","0.001","18.1066","0.001","64.902","0.002","64.499","0.002","81.122","0.002","4269.8","0.4","213","","213","","","","","","","","","4","P -1","-P 1","2","","","","- C158 H178 Au25 S18 -","- C158 H178 Au25 S18 -","- C158 H178 Au25 S18 -","1","0.5","","Chen, Zhipeng; Xu, Xinran; Guan, Yajie; Xia, Nan","Modulating the crystalline assembly of paramagnetic Au<sub>25</sub> nanoclusters using an external magnetic field.","Nanoscale","2026","18","21","11292","11297","10.1039/d6nr01067a","","","0.71073","MoKα","","0.0485","0.0359","","","0.0843","0.0911","","","","","","0.971","","","","has coordinates,has disorder","306452","2026-06-05","19:23:28",""
"1577112","17.3927","0.0006","27.6592","0.0009","18.4466","0.0007","90","","111.47","0.001","90","","8258.3","0.5","213","","213","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C144 H162 Au25 S18 -","- C144 H162 Au25 S18 -","- C288 H324 Au50 S36 -","2","0.5","","Chen, Zhipeng; Xu, Xinran; Guan, Yajie; Xia, Nan","Modulating the crystalline assembly of paramagnetic Au<sub>25</sub> nanoclusters using an external magnetic field.","Nanoscale","2026","18","21","11292","11297","10.1039/d6nr01067a","","","0.71073","MoKα","","0.0531","0.0345","","","0.0697","0.0767","","","","","","1.035","","","","has coordinates,has disorder","306452","2026-06-05","19:23:28",""
"1577113","27.1121","0.0012","31.5764","0.0012","18.6459","0.0008","90","","90","","90","","15962.8","1.2","213","","213","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C144.25 H162.5 Au25 Cl0.5 S18 -","- C144.25 H162.5 Au25 Cl0.5 S18 -","- C577 H650 Au100 Cl2 S72 -","4","0.5","","Chen, Zhipeng; Xu, Xinran; Guan, Yajie; Xia, Nan","Modulating the crystalline assembly of paramagnetic Au<sub>25</sub> nanoclusters using an external magnetic field.","Nanoscale","2026","18","21","11292","11297","10.1039/d6nr01067a","","","1.54184","CuKα","","0.0415","0.0363","","","0.0889","0.0917","","","","","","1.068","","","","has coordinates,has disorder","306452","2026-06-05","19:23:28",""
"1577114","14.9928","0.0005","10.7897","0.0004","14.3627","0.0005","90","","117.026","0.001","90","","2069.71","0.13","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H23 N O2 -","- C29 H23 N O2 -","- C116 H92 N4 O8 -","4","1","","Zhu, Yanren; Pu, Enfan; Yang, Shaoxiong; Zhao, Dongbo; Xu, Qi; Jiang, Piaopiao; Li, Xiong; Zhang, Hongbin; Chen, Jingbo","Electrochemically Driven Strain-Release Dearomative (3+2) Cyclization for the Synthesis of Bicyclo[2.1.1]hexane-Fused Polycyclic Spiroindolines","Chemical Science","2026","","","","","10.1039/D6SC01271J","","x-ray","0.71073","MoKα","","0.0659","0.0528","","","0.1167","0.126","","","","","","1.063","","","","has coordinates","305589","2026-04-21","22:09:07",""
"1577115","9.6936","0.0004","14.0626","0.0005","16.2","0.0006","86.652","0.002","82.679","0.001","77.887","0.001","2140.43","0.14","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C28 H25 N O2 -","- C28 H25 N O2 -","- C112 H100 N4 O8 -","4","2","","Zhu, Yanren; Pu, Enfan; Yang, Shaoxiong; Zhao, Dongbo; Xu, Qi; Jiang, Piaopiao; Li, Xiong; Zhang, Hongbin; Chen, Jingbo","Electrochemically Driven Strain-Release Dearomative (3+2) Cyclization for the Synthesis of Bicyclo[2.1.1]hexane-Fused Polycyclic Spiroindolines","Chemical Science","2026","","","","","10.1039/D6SC01271J","","x-ray","0.71073","MoKα","","0.0839","0.0591","","","0.1229","0.1391","","","","","","1.059","","","","has coordinates","305589","2026-04-21","22:09:07",""
"1577116","8.4475","0.0002","12.6614","0.0005","16.7944","0.0005","90","","91.358","0.002","90","","1795.78","0.1","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C46 H36 B Cl2 N O -","- C46 H36 B Cl2 N O -","- C92 H72 B2 Cl4 N2 O2 -","2","1","","Olguin, Catherine; Tabacaru, Christian; Besse, Lennart; Simon, Martin; Golz, Christopher; Humanes, Marcos; Fernandez-Rodriguez, Manuel A.; García-García, Patricia; Mücke, Maike; Mata, Ricardo A.; Alcarazo, Manuel","Enantioselective Synthesis of Configurationally Stable [5]helicenes Containing 1,2-Azaborine Units","Chemical Science","2026","","","","","10.1039/D6SC02344D","","x-ray","1.54178","CuKα","","0.0343","0.0337","","","0.0875","0.0882","","","","","","1.03","","","","has coordinates,has disorder","305608","2026-04-23","23:05:48",""
"1577117","8.3302","0.0006","12.212","0.0009","31.85","0.002","90","","90","","90","","3240","0.4","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C42 H35 B N2 -","- C42 H35 B N2 -","- C168 H140 B4 N8 -","4","1","","Olguin, Catherine; Tabacaru, Christian; Besse, Lennart; Simon, Martin; Golz, Christopher; Humanes, Marcos; Fernandez-Rodriguez, Manuel A.; García-García, Patricia; Mücke, Maike; Mata, Ricardo A.; Alcarazo, Manuel","Enantioselective Synthesis of Configurationally Stable [5]helicenes Containing 1,2-Azaborine Units","Chemical Science","2026","","","","","10.1039/D6SC02344D","","x-ray","1.54178","CuKα","","0.0315","0.0312","","","0.0831","0.0833","","","","","","1.033","","","","has coordinates","305608","2026-04-23","23:05:48",""
"1577118","8.2406","0.0009","13.1465","0.0019","31.983","0.004","90","","90","","90","","3464.9","0.8","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C42 H38 B N Si -","- C42 H38 B N Si -","- C168 H152 B4 N4 Si4 -","4","1","","Olguin, Catherine; Tabacaru, Christian; Besse, Lennart; Simon, Martin; Golz, Christopher; Humanes, Marcos; Fernandez-Rodriguez, Manuel A.; García-García, Patricia; Mücke, Maike; Mata, Ricardo A.; Alcarazo, Manuel","Enantioselective Synthesis of Configurationally Stable [5]helicenes Containing 1,2-Azaborine Units","Chemical Science","2026","","","","","10.1039/D6SC02344D","","x-ray","0.71073","MoKα","","0.0402","0.036","","","0.0951","0.0995","","","","","","1.057","","","","has coordinates,has disorder","305608","2026-04-23","23:05:48",""
"1577119","13.0664","0.0005","27.9409","0.0012","18.5017","0.0008","90","","90","","90","","6754.7","0.5","100","","100","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C41 H33 B Cl3 N O -","- C41 H33 B Cl3 N O -","- C328 H264 B8 Cl24 N8 O8 -","8","2","","Olguin, Catherine; Tabacaru, Christian; Besse, Lennart; Simon, Martin; Golz, Christopher; Humanes, Marcos; Fernandez-Rodriguez, Manuel A.; García-García, Patricia; Mücke, Maike; Mata, Ricardo A.; Alcarazo, Manuel","Enantioselective Synthesis of Configurationally Stable [5]helicenes Containing 1,2-Azaborine Units","Chemical Science","2026","","","","","10.1039/D6SC02344D","","x-ray","0.71073","MoKα","","0.065","0.0466","","","0.1092","0.1189","","","","","","1.074","","","","has coordinates","305608","2026-04-23","23:05:48",""
"1577120","20.0698","0.0009","20.0698","0.0009","9.2934","0.0005","90","","90","","120","","3241.8","0.3","100","","100","","","","","","","","","4","P 62","P 62","171","","","","- C31 H22 B N -","- C31 H22 B N -","- C186 H132 B6 N6 -","6","1","","Olguin, Catherine; Tabacaru, Christian; Besse, Lennart; Simon, Martin; Golz, Christopher; Humanes, Marcos; Fernandez-Rodriguez, Manuel A.; García-García, Patricia; Mücke, Maike; Mata, Ricardo A.; Alcarazo, Manuel","Enantioselective Synthesis of Configurationally Stable [5]helicenes Containing 1,2-Azaborine Units","Chemical Science","2026","","","","","10.1039/D6SC02344D","","x-ray","0.71073","MoKα","","0.0373","0.0364","","","0.1022","0.1033","","","","","","1.023","","","","has coordinates","305608","2026-04-23","23:05:48",""
"1577121","21.3134","0.001","14.1947","0.0006","7.4674","0.0003","90","","94.591","0.002","90","","2251.92","0.17","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H19 B F3 N -","- C31 H19 B F3 N -","- C124 H76 B4 F12 N4 -","4","1","","Olguin, Catherine; Tabacaru, Christian; Besse, Lennart; Simon, Martin; Golz, Christopher; Humanes, Marcos; Fernandez-Rodriguez, Manuel A.; García-García, Patricia; Mücke, Maike; Mata, Ricardo A.; Alcarazo, Manuel","Enantioselective Synthesis of Configurationally Stable [5]helicenes Containing 1,2-Azaborine Units","Chemical Science","2026","","","","","10.1039/D6SC02344D","","x-ray","0.71073","MoKα","","0.0505","0.04","","","0.1005","0.1087","","","","","","1.042","","","","has coordinates","305608","2026-04-23","23:05:48",""
"1577122","20.1693","0.0007","12.1225","0.0004","25.9034","0.0008","90","","91.878","0.001","90","","6330","0.4","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C83 H70 B2 Cl2 N2 -","- C83 H70 B2 Cl2 N2 -","- C332 H280 B8 Cl8 N8 -","4","1","","Olguin, Catherine; Tabacaru, Christian; Besse, Lennart; Simon, Martin; Golz, Christopher; Humanes, Marcos; Fernandez-Rodriguez, Manuel A.; García-García, Patricia; Mücke, Maike; Mata, Ricardo A.; Alcarazo, Manuel","Enantioselective Synthesis of Configurationally Stable [5]helicenes Containing 1,2-Azaborine Units","Chemical Science","2026","","","","","10.1039/D6SC02344D","","x-ray","0.71073","MoKα","","0.0492","0.0419","","","0.0974","0.1023","","","","","","1.029","","","","has coordinates","305608","2026-04-23","23:05:48",""
"1577123","16.22","0.007","13.047","0.005","31.385","0.013","90","","90.805","0.008","90","","6641","5","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41.5 H33.5 B Br Cl N1.5 -","- C40 H31 B Br N -","- C320 H248 B8 Br8 N8 -","8","2","","Olguin, Catherine; Tabacaru, Christian; Besse, Lennart; Simon, Martin; Golz, Christopher; Humanes, Marcos; Fernandez-Rodriguez, Manuel A.; García-García, Patricia; Mücke, Maike; Mata, Ricardo A.; Alcarazo, Manuel","Enantioselective Synthesis of Configurationally Stable [5]helicenes Containing 1,2-Azaborine Units","Chemical Science","2026","","","","","10.1039/D6SC02344D","","x-ray","0.71073","MoKα","","0.0693","0.0499","","","0.1287","0.1415","","","","","","1.028","","","","has coordinates,has disorder","305608","2026-04-23","23:05:48",""
"1577124","8.3058","0.001","12.2298","0.001","31.682","0.003","90","","90","","90","","3218.2","0.6","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C41 H32 B Cl N2 -","- C41 H32 B Cl N2 -","- C164 H128 B4 Cl4 N8 -","4","1","","Olguin, Catherine; Tabacaru, Christian; Besse, Lennart; Simon, Martin; Golz, Christopher; Humanes, Marcos; Fernandez-Rodriguez, Manuel A.; García-García, Patricia; Mücke, Maike; Mata, Ricardo A.; Alcarazo, Manuel","Enantioselective Synthesis of Configurationally Stable [5]helicenes Containing 1,2-Azaborine Units","Chemical Science","2026","","","","","10.1039/D6SC02344D","","x-ray","0.71073","MoKα","","0.044","0.0384","","","0.0901","0.0938","","","","","","1.02","","","","has coordinates","305608","2026-04-23","23:05:48",""
"1577125","8.4889","0.0005","13.7216","0.0008","14.3661","0.0009","116.387","0.002","94.687","0.002","97.658","0.002","1466.83","0.16","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H31 B Br N -","- C40 H31 B Br N -","- C80 H62 B2 Br2 N2 -","2","1","","Olguin, Catherine; Tabacaru, Christian; Besse, Lennart; Simon, Martin; Golz, Christopher; Humanes, Marcos; Fernandez-Rodriguez, Manuel A.; García-García, Patricia; Mücke, Maike; Mata, Ricardo A.; Alcarazo, Manuel","Enantioselective Synthesis of Configurationally Stable [5]helicenes Containing 1,2-Azaborine Units","Chemical Science","2026","","","","","10.1039/D6SC02344D","","x-ray","0.71073","MoKα","","0.038","0.0302","","","0.0774","0.0804","","","","","","1.0477","","","","has coordinates","305608","2026-04-23","23:05:48",""
"1577126","8.2943","0.0011","12.2566","0.0007","31.139","0.002","90","","90","","90","","3165.6","0.5","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C80 H61 B2 F2 N3 -","- C80 H61 B2 F2 N3 -","- C160 H122 B4 F4 N6 -","2","0.5","","Olguin, Catherine; Tabacaru, Christian; Besse, Lennart; Simon, Martin; Golz, Christopher; Humanes, Marcos; Fernandez-Rodriguez, Manuel A.; García-García, Patricia; Mücke, Maike; Mata, Ricardo A.; Alcarazo, Manuel","Enantioselective Synthesis of Configurationally Stable [5]helicenes Containing 1,2-Azaborine Units","Chemical Science","2026","","","","","10.1039/D6SC02344D","","x-ray","1.54178","CuKα","","0.0716","0.0688","","","0.2099","0.2123","","","","","","1.117","","","","has coordinates","305608","2026-04-23","23:05:48",""
"1577127","11.7361","0.0003","20.0189","0.0005","28.7963","0.0008","90","","90","","90","","6765.5","0.3","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C41.08 H34.08 Cl3.26 N -","- C41.085 H34.085 Cl3.255 N -","- C328.68 H272.68 Cl26.04 N8 -","8","2","","Olguin, Catherine; Tabacaru, Christian; Besse, Lennart; Simon, Martin; Golz, Christopher; Humanes, Marcos; Fernandez-Rodriguez, Manuel A.; García-García, Patricia; Mücke, Maike; Mata, Ricardo A.; Alcarazo, Manuel","Enantioselective Synthesis of Configurationally Stable [5]helicenes Containing 1,2-Azaborine Units","Chemical Science","2026","","","","","10.1039/D6SC02344D","","x-ray","1.54178","CuKα","","0.0606","0.0576","","","0.1456","0.1488","","","","","","1.03","","","","has coordinates,has disorder","305608","2026-04-23","23:05:48",""
"1577128","11.2579","0.0011","7.1245","0.0006","21.2105","0.0018","90","","100.818","0.004","90","","1671","0.3","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H15 B Br N -","- C22 H15 B Br N -","- C88 H60 B4 Br4 N4 -","4","1","","Olguin, Catherine; Tabacaru, Christian; Besse, Lennart; Simon, Martin; Golz, Christopher; Humanes, Marcos; Fernandez-Rodriguez, Manuel A.; García-García, Patricia; Mücke, Maike; Mata, Ricardo A.; Alcarazo, Manuel","Enantioselective Synthesis of Configurationally Stable [5]helicenes Containing 1,2-Azaborine Units","Chemical Science","2026","","","","","10.1039/D6SC02344D","","x-ray","0.71073","MoKα","","0.0564","0.0398","","","0.0926","0.1013","","","","","","1.104","","","","has coordinates,has disorder","305608","2026-04-23","23:05:48",""
"1577129","10.2945","0.0004","10.2945","0.0004","18.5686","0.0012","90","","90","","90","","1967.84","0.17","100","","100","","","","","","","","","5","P 43","P 4cw","78","","","","- C25 H21 B Br N -","- C25 H21 B Br N -","- C100 H84 B4 Br4 N4 -","4","1","","Olguin, Catherine; Tabacaru, Christian; Besse, Lennart; Simon, Martin; Golz, Christopher; Humanes, Marcos; Fernandez-Rodriguez, Manuel A.; García-García, Patricia; Mücke, Maike; Mata, Ricardo A.; Alcarazo, Manuel","Enantioselective Synthesis of Configurationally Stable [5]helicenes Containing 1,2-Azaborine Units","Chemical Science","2026","","","","","10.1039/D6SC02344D","","x-ray","0.71073","MoKα","","0.0421","0.0375","","","0.087","0.0888","","","","","","1.043","","","","has coordinates,has disorder","305608","2026-04-23","23:05:48",""
"1577130","8.2373","0.0005","12.62","0.0008","31.678","0.002","90","","90","","90","","3293.1","0.4","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H29 B F3 N -","- C40 H29 B F3 N -","- C160 H116 B4 F12 N4 -","4","1","","Olguin, Catherine; Tabacaru, Christian; Besse, Lennart; Simon, Martin; Golz, Christopher; Humanes, Marcos; Fernandez-Rodriguez, Manuel A.; García-García, Patricia; Mücke, Maike; Mata, Ricardo A.; Alcarazo, Manuel","Enantioselective Synthesis of Configurationally Stable [5]helicenes Containing 1,2-Azaborine Units","Chemical Science","2026","","","","","10.1039/D6SC02344D","","x-ray","1.54178","CuKα","","0.033","0.0314","","","0.0828","0.0843","","","","","","1.033","","","","has coordinates","305608","2026-04-23","23:05:48",""
"1577131","37.971","0.002","37.971","0.002","10.0812","0.0007","90","","90","","120","","12587.7","1.3","100","","100","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C39 H30 B N -","- C39 H30 B N -","- C702 H540 B18 N18 -","18","1","","Olguin, Catherine; Tabacaru, Christian; Besse, Lennart; Simon, Martin; Golz, Christopher; Humanes, Marcos; Fernandez-Rodriguez, Manuel A.; García-García, Patricia; Mücke, Maike; Mata, Ricardo A.; Alcarazo, Manuel","Enantioselective Synthesis of Configurationally Stable [5]helicenes Containing 1,2-Azaborine Units","Chemical Science","2026","","","","","10.1039/D6SC02344D","","x-ray","0.71073","MoKα","","0.0493","0.0424","","","0.1099","0.1158","","","","","","1.023","","","","has coordinates","305608","2026-04-23","23:05:48",""
"1577132","16.0992","0.0019","15.892","0.003","16.165","0.003","90","","92.065","0.005","90","","4133.1","1.2","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H23 B Br N -","- C26 H23 B Br N -","- C208 H184 B8 Br8 N8 -","8","2","","Olguin, Catherine; Tabacaru, Christian; Besse, Lennart; Simon, Martin; Golz, Christopher; Humanes, Marcos; Fernandez-Rodriguez, Manuel A.; García-García, Patricia; Mücke, Maike; Mata, Ricardo A.; Alcarazo, Manuel","Enantioselective Synthesis of Configurationally Stable [5]helicenes Containing 1,2-Azaborine Units","Chemical Science","2026","","","","","10.1039/D6SC02344D","","x-ray","0.71073","MoKα","","0.0601","0.0439","","","0.0935","0.1007","","","","","","1.113","","","","has coordinates,has disorder","305608","2026-04-23","23:05:48",""
"1577133","12.7517","0.0004","6.1426","0.0002","13.2572","0.0004","90","","116.76","0.001","90","","927.2","0.05","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H23 N O2 -","- C24 H23 N O2 -","- C48 H46 N2 O4 -","2","1","","Song, Yanji; Wang, Ruifeng; Lu, Xi; Zhou, Yuqiao; Feng, Xiaoming; Cao, Weidi; Liu, Xiaohua","Enantioselective organocatalytic radical alkylation enabled by photoexcitation","Chemical Science","2026","","","","","10.1039/D6SC00272B","","","1.54178","CuKα","","0.028","0.0274","","","0.0657","0.0661","","","","","","1.08","","","","has coordinates","305609","2026-04-23","23:06:20",""
"1577134","33.0613","0.0018","7.2094","0.0004","15.6708","0.0008","90","","91.011","0.002","90","","3734.6","0.3","193","","193","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C23 H19 Cl F N O2 -","- C23 H19 Cl F N O2 -","- C184 H152 Cl8 F8 N8 O16 -","8","1","","Zhou, Kun; Chen, Xin; Wang, Yue; Mao, Yang-Jie; Yang, Xin; Liu, Kai; Pan, Qi; Pan, Dong-Liang; Xu, Dan-Qian; Lou, Shao-Jie","A Unified Strategy for Remote C-H Fluorination of Phenylacetic Acids and Their Homologues at meta-Position","Chemical Science","2026","","","","","10.1039/D6SC01331G","","x-ray","1.34139","GaKα","","0.045","0.0378","","","0.0957","0.1003","","","","","","1.045","","","","has coordinates","305620","2026-04-24","22:57:07",""
"1577135","22.0393","0.0003","12.9627","0.0001","23.7552","0.0003","90","","112.901","0.002","90","","6251.67","0.16","110","0.1","110.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C59 H68 B F24 P2 Rh -","- C59 H67 B F24 P2 Rh -","- C236 H268 B4 F96 P8 Rh4 -","4","1","","Goodall, Joe; Sajjad, M. Arif; Furfari, Samantha Kathleen; Hatcher, Theo S.; Weller, Andrew S.; Macgregor, Stuart Alan; Lynam, Jason Martin; Warren, Mark R.; Page, Samuel J.; Tizzard, Graham J.; Altus, Kris Mark","The Characterisation and Reactivity of a Rh III η1 -σ-Alkane Complex and the Role of a Structurally Responsive Phosphine Ligand in Solid-State Molecular Organometallic Chemistry","Chemical Science","2026","","","","","10.1039/D6SC02133F","","","1.54184","CuKα","","0.0752","0.056","","","0.1451","0.1569","","","","","","1.053","","","","has coordinates,has disorder","305621","2026-04-24","22:58:00",""
"1577136","21.3978","0.0001","12.9297","0.0001","23.2193","0.0001","90","","112.044","0.001","90","","5954.4","0.07","110","0.1","110.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C59 H64 B F24 P2 Rh -","- C59 H64 B F24 P2 Rh -","- C236 H256 B4 F96 P8 Rh4 -","4","1","","Goodall, Joe; Sajjad, M. Arif; Furfari, Samantha Kathleen; Hatcher, Theo S.; Weller, Andrew S.; Macgregor, Stuart Alan; Lynam, Jason Martin; Warren, Mark R.; Page, Samuel J.; Tizzard, Graham J.; Altus, Kris Mark","The Characterisation and Reactivity of a Rh III η1 -σ-Alkane Complex and the Role of a Structurally Responsive Phosphine Ligand in Solid-State Molecular Organometallic Chemistry","Chemical Science","2026","","","","","10.1039/D6SC02133F","","","1.54184","CuKα","","0.0328","0.0315","","","0.0779","0.0788","","","","","","1.052","","","","has coordinates","305621","2026-04-24","22:58:00",""
"1577137","22.2182","0.0011","12.5068","0.0006","23.2112","0.001","90","","113.97","0.006","90","","5893.6","0.6","109.9","0.2","110.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C55 H61 B F24 P2 Rh -","- C55 H61 B F24 P2 Rh -","- C220 H244 B4 F96 P8 Rh4 -","4","0.5","","Goodall, Joe; Sajjad, M. Arif; Furfari, Samantha Kathleen; Hatcher, Theo S.; Weller, Andrew S.; Macgregor, Stuart Alan; Lynam, Jason Martin; Warren, Mark R.; Page, Samuel J.; Tizzard, Graham J.; Altus, Kris Mark","The Characterisation and Reactivity of a Rh III η1 -σ-Alkane Complex and the Role of a Structurally Responsive Phosphine Ligand in Solid-State Molecular Organometallic Chemistry","Chemical Science","2026","","","","","10.1039/D6SC02133F","","","1.54184","CuKα","","0.1225","0.0938","","","0.2705","0.2981","","","","","","1.0991","","","","has coordinates,has disorder","305621","2026-04-24","22:58:00",""
"1577138","22.2413","0.0005","13.0869","0.0002","24.0201","0.0005","90","","112.889","0.002","90","","6441","0.2","214.95","0.1","215.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C59 H68 B F24 P2 Rh -","- C59 H67 B F24 P2 Rh -","- C236 H268 B4 F96 P8 Rh4 -","4","1","","Goodall, Joe; Sajjad, M. Arif; Furfari, Samantha Kathleen; Hatcher, Theo S.; Weller, Andrew S.; Macgregor, Stuart Alan; Lynam, Jason Martin; Warren, Mark R.; Page, Samuel J.; Tizzard, Graham J.; Altus, Kris Mark","The Characterisation and Reactivity of a Rh III η1 -σ-Alkane Complex and the Role of a Structurally Responsive Phosphine Ligand in Solid-State Molecular Organometallic Chemistry","Chemical Science","2026","","","","","10.1039/D6SC02133F","","","1.54184","CuKα","","0.1246","0.0759","","","0.2001","0.2437","","","","","","1.021","","","","has coordinates,has disorder","305621","2026-04-24","22:58:00",""
"1577139","22.4113","0.0008","13.1931","0.0005","24.205","0.0006","90","","112.732","0.003","90","","6600.9","0.4","298","0.14","298.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C59 H68 B F24 P2 Rh -","- C59 H67 B F24 P2 Rh -","- C236 H268 B4 F96 P8 Rh4 -","4","1","","Goodall, Joe; Sajjad, M. Arif; Furfari, Samantha Kathleen; Hatcher, Theo S.; Weller, Andrew S.; Macgregor, Stuart Alan; Lynam, Jason Martin; Warren, Mark R.; Page, Samuel J.; Tizzard, Graham J.; Altus, Kris Mark","The Characterisation and Reactivity of a Rh III η1 -σ-Alkane Complex and the Role of a Structurally Responsive Phosphine Ligand in Solid-State Molecular Organometallic Chemistry","Chemical Science","2026","","","","","10.1039/D6SC02133F","","","1.54184","CuKα","","0.1476","0.0855","","","0.2517","0.3097","","","","","","1.042","","","","has coordinates,has disorder","305621","2026-04-24","22:58:00",""
"1577140","21.8071","0.0002","12.7675","0.0001","23.4341","0.0003","90","","112.008","0.001","90","","6049.14","0.11","110.05","0.1","110.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C59 H66 B F24 P2 Rh -","- C59 H66 B F24 P2 Rh -","- C236 H264 B4 F96 P8 Rh4 -","4","1","","Goodall, Joe; Sajjad, M. Arif; Furfari, Samantha Kathleen; Hatcher, Theo S.; Weller, Andrew S.; Macgregor, Stuart Alan; Lynam, Jason Martin; Warren, Mark R.; Page, Samuel J.; Tizzard, Graham J.; Altus, Kris Mark","The Characterisation and Reactivity of a Rh III η1 -σ-Alkane Complex and the Role of a Structurally Responsive Phosphine Ligand in Solid-State Molecular Organometallic Chemistry","Chemical Science","2026","","","","","10.1039/D6SC02133F","","","1.54184","CuKα","","0.0729","0.067","","","0.1693","0.1736","","","","","","1.025","","","","has coordinates,has disorder","305621","2026-04-24","22:58:00",""
"1577141","21.7026","0.0001","27.8126","0.0001","21.4855","0.0001","90","","103.089","0.001","90","","12631.8","0.11","110.05","0.1","110.05","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C56.75 H66.75 B Cl2 F24 P2 Rh -","- C53 H58 B Cl2 F24 P2 Rh -","- C424 H464 B8 Cl16 F192 P16 Rh8 -","8","2","","Goodall, Joe; Sajjad, M. Arif; Furfari, Samantha Kathleen; Hatcher, Theo S.; Weller, Andrew S.; Macgregor, Stuart Alan; Lynam, Jason Martin; Warren, Mark R.; Page, Samuel J.; Tizzard, Graham J.; Altus, Kris Mark","The Characterisation and Reactivity of a Rh III η1 -σ-Alkane Complex and the Role of a Structurally Responsive Phosphine Ligand in Solid-State Molecular Organometallic Chemistry","Chemical Science","2026","","","","","10.1039/D6SC02133F","","x-ray","1.54184","CuKα","","0.0643","0.0595","","","0.1636","0.1678","","","","","","1.0383","","","","has coordinates,has disorder","305621","2026-04-24","22:58:00",""
"1577142","16.2972","0.0007","23.6542","0.0012","14.4505","0.0007","90","","90","","90","","5570.6","0.5","200","","200","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C21 H13 Cu O7 P -","- C21 H13 Cu O7 P -","- C168 H104 Cu8 O56 P8 -","8","1","","Wang, Zijian; Zhou, Mu-Yang; Mao, Shanshan; Wu, Yi-Lu; Li, Shenfang; Zhou, Xin; Guo, Fu-An; Yu, Liang; Gao, Manglai; Wang, Hao","High-Capacity Sieving of C3F6 and C3F8 by a Copper-Based MOF with Interconnected Gourd-Shaped Channels","Chemical Science","2026","","","","","10.1039/D6SC01756H","","","1.54178","CuKα","","0.1097","0.0976","","","0.2869","0.3073","","","","","","1.263","","","","has coordinates","305622","2026-04-24","22:58:17",""
"1577143","11.1282","0.0005","12.1439","0.0006","25.4255","0.0012","90","","90","","90","","3436","0.3","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C42 H40 N4 O -","- C42 H40 N4 O -","- C168 H160 N16 O4 -","4","1","","Wu, Ruixue; Chen, Lan; Chen, Yihan; Wu, Qimin; Chen, Qirui; Lin, Aijun; Yao, Hequan; Li, Qiuyu; Gao, Shang","Copper-Catalyzed Enantioselective Interrupted Azide-Alkyne Cycloaddition to Access Axially Chiral Diaryl Ethers","Chemical Science","2026","","","","","10.1039/D5SC09566B","","","1.54178","Cukα","","0.0405","0.0351","","","0.0894","0.0937","","","","","","1.036","","","","has coordinates","305623","2026-04-24","22:58:24",""
"1577144","10.6197","0.0002","6.7073","0.0001","36.6481","0.0008","90","","97.015","0.001","90","","2590.89","0.08","102","","102","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","LPL-Ligand","","- C32 H28 N8 -","- C32 H28 N8 -","- C128 H112 N32 -","4","1","","Pruñonosa Lara, Lidón; Bädorf, Benedikt; Notheis, Maximilian J.; Schnakenburg, Gregor; Grimme, Stefan; von Krbek, Larissa K. S.","White-light powered autonomous molecular ratchet drives Pd<sup>II</sup> capsules out of equilibrium.","Chemical science","2026","17","18","8959","8967","10.1039/d5sc09472k","","x-ray","1.54178","CuKα","","0.0415","0.0337","","","0.0881","0.0927","","","","","","1.025","","","","has coordinates","306348","2026-06-05","18:40:07",""
"1577145","14.5427","0.0013","15.529","0.0014","20.7884","0.0018","89.243","0.003","79.385","0.003","80.121","0.003","4545.1","0.7","100","","100","","","","","","","","","8","P -1","-P 1","2","","LPL-E-Cage","","- C172 H196 B4 F16 N48 O6 Pd2 S6 -","- C140 H148 B4 F16 N32 O6 Pd2 S6 -","- C140 H148 B4 F16 N32 O6 Pd2 S6 -","1","0.5","","Pruñonosa Lara, Lidón; Bädorf, Benedikt; Notheis, Maximilian J.; Schnakenburg, Gregor; Grimme, Stefan; von Krbek, Larissa K. S.","White-light powered autonomous molecular ratchet drives Pd<sup>II</sup> capsules out of equilibrium.","Chemical science","2026","17","18","8959","8967","10.1039/d5sc09472k","","x-ray","0.71073","MoKα","","0.169","0.092","","","0.2476","0.3006","","","","","","1.049","","","","has coordinates,has disorder","306348","2026-06-05","18:40:07",""
"1577146","37.524","0.003","10.6629","0.0009","23.695","0.002","90","","128.132","0.002","90","","7457.4","1.1","153","","153","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C37 H54 N3 O P Zr -","- C37 H54 N3 O P Zr -","- C296 H432 N24 O8 P8 Zr8 -","8","1","","Baltrun, Marc; Hanneberg, David; Hett, Florian; Seidl, Michael; Weigend, Florian; Hohloch, Stephan","Regioselective [3+2] Cycloaddition Reactions of the Phosphorus and Arsenic Analogues of the Thiocyanate Anion","Chemical Science","2026","","","","","10.1039/D6SC01985D","","","0.71073","MoKα","","0.0829","0.045","","","0.0911","0.1034","","","","","","1.023","","","","has coordinates","305625","2026-04-24","22:59:25",""
"1577147","11.3021","0.0002","19.3382","0.0005","19.0991","0.0006","90","","92.878","0.001","90","","4169.08","0.19","153","","153","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H57 As2 N3 S2 Zr -","- C39 H57 As2 N3 S2 Zr -","- C156 H228 As8 N12 S8 Zr4 -","4","1","","Baltrun, Marc; Hanneberg, David; Hett, Florian; Seidl, Michael; Weigend, Florian; Hohloch, Stephan","Regioselective [3+2] Cycloaddition Reactions of the Phosphorus and Arsenic Analogues of the Thiocyanate Anion","Chemical Science","2026","","","","","10.1039/D6SC01985D","","","0.71073","MoKα","","0.037","0.0321","","","0.0841","0.0868","","","","","","1.068","","","","has coordinates","305625","2026-04-24","22:59:25",""
"1577148","11.1162","0.0004","12.8946","0.0006","13.8469","0.0006","89.101","0.002","85.031","0.002","74.376","0.002","1904.22","0.14","153","","153","","","","","","","","","6","P 1","P 1","1","","","","- C74 H108 As2 N6 S2 Zr2 -","- C74 H108 As2 N6 S2 Zr2 -","- C74 H108 As2 N6 S2 Zr2 -","1","1","","Baltrun, Marc; Hanneberg, David; Hett, Florian; Seidl, Michael; Weigend, Florian; Hohloch, Stephan","Regioselective [3+2] Cycloaddition Reactions of the Phosphorus and Arsenic Analogues of the Thiocyanate Anion","Chemical Science","2026","","","","","10.1039/D6SC01985D","","","0.71073","MoKα","","0.0258","0.0231","","","0.0532","0.0548","","","","","","1.025","","","","has coordinates,has disorder","305625","2026-04-24","22:59:25",""
"1577149","10.7189","0.0002","15.5552","0.0004","24.4893","0.0005","93.485","0.002","90.244","0.002","107.966","0.002","3875.79","0.15","150","0.1","150","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C37 H54 F3 N3 O3 S Zr -","- C37 H54 F3 N3 O3 S Zr -","- C148 H216 F12 N12 O12 S4 Zr4 -","4","2","","Baltrun, Marc; Hanneberg, David; Hett, Florian; Seidl, Michael; Weigend, Florian; Hohloch, Stephan","Regioselective [3+2] Cycloaddition Reactions of the Phosphorus and Arsenic Analogues of the Thiocyanate Anion","Chemical Science","2026","","","","","10.1039/D6SC01985D","","x-ray","0.71073","MoKα","","0.0851","0.0613","","","0.1259","0.131","","","","","","1.07","","","","has coordinates,has disorder","305625","2026-04-24","22:59:25",""
"1577150","9.538","0.0003","11.3387","0.0004","16.5498","0.0006","80.75","0.001","88.176","0.001","89.103","0.001","1765.57","0.11","153","","153","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H54 I N3 Zr -","- C36 H54 I N3 Zr -","- C72 H108 I2 N6 Zr2 -","2","1","","Baltrun, Marc; Hanneberg, David; Hett, Florian; Seidl, Michael; Weigend, Florian; Hohloch, Stephan","Regioselective [3+2] Cycloaddition Reactions of the Phosphorus and Arsenic Analogues of the Thiocyanate Anion","Chemical Science","2026","","","","","10.1039/D6SC01985D","","","0.71073","MoKα","","0.0429","0.0376","","","0.0914","0.0943","","","","","","1.094","","","","has coordinates","305625","2026-04-24","22:59:25",""
"1577151","11.2482","0.0003","19.3079","0.0007","19.0553","0.0007","90","","92.749","0.001","90","","4133.7","0.2","153","","153","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H57 N3 P2 S2 Zr -","- C39 H57 N3 P2 S2 Zr -","- C156 H228 N12 P8 S8 Zr4 -","4","1","","Baltrun, Marc; Hanneberg, David; Hett, Florian; Seidl, Michael; Weigend, Florian; Hohloch, Stephan","Regioselective [3+2] Cycloaddition Reactions of the Phosphorus and Arsenic Analogues of the Thiocyanate Anion","Chemical Science","2026","","","","","10.1039/D6SC01985D","","","0.71073","MoKα","","0.035","0.0279","","","0.0684","0.0734","","","","","","1.044","","","","has coordinates","305625","2026-04-24","22:59:25",""
"1577152","11.0749","0.0016","12.782","0.002","13.9799","0.0019","88.595","0.004","84.512","0.004","74.066","0.004","1894.2","0.5","153","","153","","","","","","","","","6","P -1","-P 1","2","","","","- C74 H108 N6 P2 S2 Zr2 -","- C74 H108 N6 P2 S2 Zr2 -","- C74 H108 N6 P2 S2 Zr2 -","1","0.5","","Baltrun, Marc; Hanneberg, David; Hett, Florian; Seidl, Michael; Weigend, Florian; Hohloch, Stephan","Regioselective [3+2] Cycloaddition Reactions of the Phosphorus and Arsenic Analogues of the Thiocyanate Anion","Chemical Science","2026","","","","","10.1039/D6SC01985D","","","0.71073","MoKα","","0.0839","0.0493","","","0.1053","0.1218","","","","","","1.011","","","","has coordinates,has disorder","305625","2026-04-24","22:59:25",""
"1577153","11.0494","0.0004","12.8302","0.0005","13.8673","0.0004","89.01","0.003","84.982","0.003","74.14","0.003","1883.78","0.12","123","0.1","123","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C74 H108 N6 P2 S2 Zr2 -","- C74 H108 N6 P2 S2 Zr2 -","- C74 H108 N6 P2 S2 Zr2 -","1","0.5","","Baltrun, Marc; Hanneberg, David; Hett, Florian; Seidl, Michael; Weigend, Florian; Hohloch, Stephan","Regioselective [3+2] Cycloaddition Reactions of the Phosphorus and Arsenic Analogues of the Thiocyanate Anion","Chemical Science","2026","","","","","10.1039/D6SC01985D","","x-ray","0.71073","MoKα","","0.0629","0.047","","","0.1044","0.1094","","","","","","1.071","","","","has coordinates,has disorder","305625","2026-04-24","22:59:25",""
"1577154","19.1293","0.0007","11.0963","0.0003","18.0617","0.0006","90","","111.112","0.001","90","","3576.5","0.2","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H54 Cl N3 Zr -","- C36 H54 Cl N3 Zr -","- C144 H216 Cl4 N12 Zr4 -","4","1","","Baltrun, Marc; Hanneberg, David; Hett, Florian; Seidl, Michael; Weigend, Florian; Hohloch, Stephan","Regioselective [3+2] Cycloaddition Reactions of the Phosphorus and Arsenic Analogues of the Thiocyanate Anion","Chemical Science","2026","","","","","10.1039/D6SC01985D","","","0.71073","MoKα","","0.051","0.0391","","","0.0843","0.0927","","","","","","1.05","","","","has coordinates","305625","2026-04-24","22:59:25",""
"1577155","11.1089","0.0005","12.8559","0.0006","13.9037","0.0007","88.663","0.002","84.689","0.002","74.352","0.002","1903.85","0.16","153","","153","","","","","","","","","6","P -1","-P 1","2","","","","- C74 H108 As2 N6 S2 Zr2 -","- C74 H108 As2 N6 S2 Zr2 -","- C74 H108 As2 N6 S2 Zr2 -","1","0.5","","Baltrun, Marc; Hanneberg, David; Hett, Florian; Seidl, Michael; Weigend, Florian; Hohloch, Stephan","Regioselective [3+2] Cycloaddition Reactions of the Phosphorus and Arsenic Analogues of the Thiocyanate Anion","Chemical Science","2026","","","","","10.1039/D6SC01985D","","","0.71073","MoKα","","0.05","0.0445","","","0.1023","0.1052","","","","","","1.0384","","","","has coordinates,has disorder","305625","2026-04-24","22:59:25",""
"1577156","11.3905","0.0005","10.3427","0.0007","9.0688","0.0004","90","","91.417","0.004","90","","1068.06","0.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 Cl N O2 -","- C10 H12 Cl N O2 -","- C40 H48 Cl4 N4 O8 -","4","1","","Ou, Luchuan; Bai, Yihang; Liu, Shanshuo; Kan, Zongling; Lan, Yu; Zhu, Jiali; Liu, Shihan; Ren, Zhigang; Li, Shi-Jun; Niu, Linbin","Overriding the Radical Polarity Matching Principle: Selective Chlorohydroxylation of Electron-Deficient Alkenes Enabled by Ce Photocatalysis","Chemical Science","2026","","","","","10.1039/D6SC00166A","","x-ray","1.54184","CuKα","","0.0901","0.0722","","","0.2065","0.2315","","","","","","1.071","","","","has coordinates","305642","2026-04-28","22:14:48",""
"1577157","10.2446","0.0002","42.1839","0.0008","9.6655","0.0001","90","","92.302","0.002","90","","4173.64","0.12","106","9","106","9","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C52.6 H56.16 N O2 -","- C52.596 H55.668 N O2 -","- C210.384 H222.672 N4 O8 -","4","1","","Molla, Sariful Molla; Mahato, Samyadeb; Ray, Avinash Kumar; Bandyopadhyay, Subhajit","Turn-on fluorescence switching and radical formation of a dual-functional negative photochromic dimethyldihydropyrene","Chemical Science","2026","","","","","10.1039/D6SC01682K","","x-ray","1.54184","CuKα","","0.1339","0.0989","","","0.2707","0.3464","","","","","","1.117","","","","has coordinates,has disorder","305643","2026-04-28","22:15:02",""
"1577158","10.4823","0.0002","12.4252","0.0002","13.6567","0.0003","83.446","0.002","79.691","0.002","73.563","0.002","1674.67","0.06","100","0.1","100","0.1","","","","","","","","3","P -1","-P 1","2","","DP1","","- C44 H45 N -","- C44 H45 N -","- C88 H90 N2 -","2","1","","Molla, Sariful Molla; Mahato, Samyadeb; Ray, Avinash Kumar; Bandyopadhyay, Subhajit","Turn-on fluorescence switching and radical formation of a dual-functional negative photochromic dimethyldihydropyrene","Chemical Science","2026","","","","","10.1039/D6SC01682K","","x-ray","1.54184","CuKα","","0.0895","0.0827","","","0.1882","0.1932","","","","","","1.056","","","","has coordinates","305643","2026-04-28","22:15:02",""
"1577159","8.7601","0.0001","15.8369","0.0002","34.4002","0.0004","90","","90","","90","","4772.44","0.1","298","2","298.3","0.2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H24 N2 O -","- C31 H24 N2 O -","- C248 H192 N16 O8 -","8","2","","Meraviglia, Silvia; Romanelli, Alessandra; Iannelli, Paola; Rizzato, Silvia; Contini, Alessandro; Abbiati, Giorgio; Pirovano, Valentina","Atroposelective construction of indole-fused diazocines via gold(I)-catalysed 8-endo-dig cyclisation","Chemical Science","2026","","","","","10.1039/D6SC00020G","","x-ray","1.54184","CuKα","","0.0492","0.0469","","","0.1322","0.1365","","","","","","1.06","","","","has coordinates,has disorder","305644","2026-04-28","22:15:09",""
"1577160","8.655","0.0003","9.806","0.0003","10.832","0.0003","79.328","0.002","86.612","0.002","78.397","0.002","884.73","0.05","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C16 H21 F N2 O4 S -","- C16 H21 F N2 O4 S -","- C32 H42 F2 N4 O8 S2 -","2","1","","Leypold, Mario; Poli, Lorenzo; Earl, Max; Putra, Okky D.; Kwapien, Karolina; Lewis, Richard J.; Murphy, John J.; Passamonti, Marta; von Sydow, Lena M.; Spelling, Victor; Asproudis, Ioannis; Sardana, Malvika; Gatti, Claudia; Seki, Hikaru; Lemaitre, Thomas; Juskaite, Radvile; Gopalakrishnan, Ranganath; Francis, Stuart J.; Gardelli, Cristina; Norrby, Per-Ola; Czechtizky, Werngard","Regioselective synthesis of aza-saccharins via anionic [1,4] Fries-type rearrangement of aryl sulfonimidoyl fluorides","Chemical Science","2026","","","","","10.1039/D6SC00432F","","x-ray","0.71073","MoKα","","0.0599","0.0424","","","0.0959","0.1024","","","","","","1.024","","","","has coordinates,has disorder","305657","2026-04-29","22:10:00",""
"1577161","7.0402","0.0005","8.2666","0.0002","10.7074","0.0002","104.196","0.001","90.634","0.004","92.555","0.004","603.37","0.05","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C10 H9 Cl F N O4 S -","- C10 H9 Cl F N O4 S -","- C20 H18 Cl2 F2 N2 O8 S2 -","2","1","","Leypold, Mario; Poli, Lorenzo; Earl, Max; Putra, Okky D.; Kwapien, Karolina; Lewis, Richard J.; Murphy, John J.; Passamonti, Marta; von Sydow, Lena M.; Spelling, Victor; Asproudis, Ioannis; Sardana, Malvika; Gatti, Claudia; Seki, Hikaru; Lemaitre, Thomas; Juskaite, Radvile; Gopalakrishnan, Ranganath; Francis, Stuart J.; Gardelli, Cristina; Norrby, Per-Ola; Czechtizky, Werngard","Regioselective synthesis of aza-saccharins via anionic [1,4] Fries-type rearrangement of aryl sulfonimidoyl fluorides","Chemical Science","2026","","","","","10.1039/D6SC00432F","","x-ray","1.54184","CuKα","","0.0504","0.0444","","","0.1199","0.1229","","","","","","1.117","","","","has coordinates","305657","2026-04-29","22:10:00",""
"1577162","8.6495","0.0002","9.8157","0.0002","10.8278","0.0003","79.359","0.002","86.586","0.002","78.339","0.002","884.6","0.04","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C16 H21 F N2 O4 S -","- C16 H21 F N2 O4 S -","- C32 H42 F2 N4 O8 S2 -","2","1","","Leypold, Mario; Poli, Lorenzo; Earl, Max; Putra, Okky D.; Kwapien, Karolina; Lewis, Richard J.; Murphy, John J.; Passamonti, Marta; von Sydow, Lena M.; Spelling, Victor; Asproudis, Ioannis; Sardana, Malvika; Gatti, Claudia; Seki, Hikaru; Lemaitre, Thomas; Juskaite, Radvile; Gopalakrishnan, Ranganath; Francis, Stuart J.; Gardelli, Cristina; Norrby, Per-Ola; Czechtizky, Werngard","Regioselective synthesis of aza-saccharins via anionic [1,4] Fries-type rearrangement of aryl sulfonimidoyl fluorides","Chemical Science","2026","","","","","10.1039/D6SC00432F","","x-ray","1.54184","CuKα","","0.0455","0.0386","","","0.0985","0.1021","","","","","","1.093","","","","has coordinates,has disorder","305657","2026-04-29","22:10:00",""
"1577163","14.249","0.0004","17.003","0.0003","18.6346","0.0002","77.359","0.001","83.203","0.002","70.348","0.002","4143.76","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H50 N5 O7.5 S3.5 -","- C38 H50 N5 O7.5 S3.5 -","- C152 H200 N20 O30 S14 -","4","2","","Leypold, Mario; Poli, Lorenzo; Earl, Max; Putra, Okky D.; Kwapien, Karolina; Lewis, Richard J.; Murphy, John J.; Passamonti, Marta; von Sydow, Lena M.; Spelling, Victor; Asproudis, Ioannis; Sardana, Malvika; Gatti, Claudia; Seki, Hikaru; Lemaitre, Thomas; Juskaite, Radvile; Gopalakrishnan, Ranganath; Francis, Stuart J.; Gardelli, Cristina; Norrby, Per-Ola; Czechtizky, Werngard","Regioselective synthesis of aza-saccharins via anionic [1,4] Fries-type rearrangement of aryl sulfonimidoyl fluorides","Chemical Science","2026","","","","","10.1039/D6SC00432F","","x-ray","1.54184","CuKα","","0.0994","0.0855","","","0.2417","0.254","","","","","","1.042","","","","has coordinates,has disorder","305657","2026-04-29","22:10:00",""
"1577164","14.4189","0.0002","15.0573","0.0003","19.8047","0.0002","85.395","0.001","82.918","0.001","66.468","0.002","3909.85","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H24 Cl N5 O4 S3 -","- C23 H24 Cl N5 O4 S3 -","- C138 H144 Cl6 N30 O24 S18 -","6","3","","Leypold, Mario; Poli, Lorenzo; Earl, Max; Putra, Okky D.; Kwapien, Karolina; Lewis, Richard J.; Murphy, John J.; Passamonti, Marta; von Sydow, Lena M.; Spelling, Victor; Asproudis, Ioannis; Sardana, Malvika; Gatti, Claudia; Seki, Hikaru; Lemaitre, Thomas; Juskaite, Radvile; Gopalakrishnan, Ranganath; Francis, Stuart J.; Gardelli, Cristina; Norrby, Per-Ola; Czechtizky, Werngard","Regioselective synthesis of aza-saccharins via anionic [1,4] Fries-type rearrangement of aryl sulfonimidoyl fluorides","Chemical Science","2026","","","","","10.1039/D6SC00432F","","x-ray","1.54184","CuKα","","0.044","0.0391","","","0.1039","0.11","","","","","","1.055","","","","has coordinates","305657","2026-04-29","22:10:00",""
"1577165","22.2711","0.0001","12.3999","0.0001","13.0429","0.0001","90","","105.504","0.001","90","","3470.85","0.04","173","0.1","173","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","AZ14288800 SN1088856581","","- C18 H12 Cl F N4 O2 S -","- C18 H12 Cl F N4 O2 S -","- C144 H96 Cl8 F8 N32 O16 S8 -","8","1","","Leypold, Mario; Poli, Lorenzo; Earl, Max; Putra, Okky D.; Kwapien, Karolina; Lewis, Richard J.; Murphy, John J.; Passamonti, Marta; von Sydow, Lena M.; Spelling, Victor; Asproudis, Ioannis; Sardana, Malvika; Gatti, Claudia; Seki, Hikaru; Lemaitre, Thomas; Juskaite, Radvile; Gopalakrishnan, Ranganath; Francis, Stuart J.; Gardelli, Cristina; Norrby, Per-Ola; Czechtizky, Werngard","Regioselective synthesis of aza-saccharins via anionic [1,4] Fries-type rearrangement of aryl sulfonimidoyl fluorides","Chemical Science","2026","","","","","10.1039/D6SC00432F","","x-ray","1.54184","CuKα","","0.0316","0.0298","","","0.0838","0.0855","","","","","","1.065","","","","has coordinates,has disorder","305657","2026-04-29","22:10:00",""
"1577166","12.2083","0.0001","11.8406","0.0001","14.4366","0.0001","90","","109.908","0.001","90","","1962.15","0.03","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 Cl N5 O3 S -","- C20 H16 Cl N5 O3 S -","- C80 H64 Cl4 N20 O12 S4 -","4","1","","Leypold, Mario; Poli, Lorenzo; Earl, Max; Putra, Okky D.; Kwapien, Karolina; Lewis, Richard J.; Murphy, John J.; Passamonti, Marta; von Sydow, Lena M.; Spelling, Victor; Asproudis, Ioannis; Sardana, Malvika; Gatti, Claudia; Seki, Hikaru; Lemaitre, Thomas; Juskaite, Radvile; Gopalakrishnan, Ranganath; Francis, Stuart J.; Gardelli, Cristina; Norrby, Per-Ola; Czechtizky, Werngard","Regioselective synthesis of aza-saccharins via anionic [1,4] Fries-type rearrangement of aryl sulfonimidoyl fluorides","Chemical Science","2026","","","","","10.1039/D6SC00432F","","x-ray","1.54184","CuKα","","0.0402","0.0349","","","0.091","0.0955","","","","","","1.04","","","","has coordinates","305657","2026-04-29","22:10:00",""
"1577167","7.646","0.0001","11.1223","0.0001","22.0722","0.0002","90","","96.441","0.001","90","","1865.2","0.03","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 Cl N4 O3 S -","- C19 H17 Cl N4 O3 S -","- C76 H68 Cl4 N16 O12 S4 -","4","1","","Leypold, Mario; Poli, Lorenzo; Earl, Max; Putra, Okky D.; Kwapien, Karolina; Lewis, Richard J.; Murphy, John J.; Passamonti, Marta; von Sydow, Lena M.; Spelling, Victor; Asproudis, Ioannis; Sardana, Malvika; Gatti, Claudia; Seki, Hikaru; Lemaitre, Thomas; Juskaite, Radvile; Gopalakrishnan, Ranganath; Francis, Stuart J.; Gardelli, Cristina; Norrby, Per-Ola; Czechtizky, Werngard","Regioselective synthesis of aza-saccharins via anionic [1,4] Fries-type rearrangement of aryl sulfonimidoyl fluorides","Chemical Science","2026","","","","","10.1039/D6SC00432F","","x-ray","1.54184","CuKα","","0.0354","0.0321","","","0.0863","0.0899","","","","","","1.094","","","","has coordinates","305657","2026-04-29","22:10:00",""
"1577168","11.83493","0.00005","33.96028","0.00012","24.05716","0.0001","90","","103.819","0.0004","90","","9389.11","0.07","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H21 F N5 O3.5 S2.5 -","- C22 H21 F N5 O3.5 S2.5 -","- C352 H336 F16 N80 O56 S40 -","16","4","","Leypold, Mario; Poli, Lorenzo; Earl, Max; Putra, Okky D.; Kwapien, Karolina; Lewis, Richard J.; Murphy, John J.; Passamonti, Marta; von Sydow, Lena M.; Spelling, Victor; Asproudis, Ioannis; Sardana, Malvika; Gatti, Claudia; Seki, Hikaru; Lemaitre, Thomas; Juskaite, Radvile; Gopalakrishnan, Ranganath; Francis, Stuart J.; Gardelli, Cristina; Norrby, Per-Ola; Czechtizky, Werngard","Regioselective synthesis of aza-saccharins via anionic [1,4] Fries-type rearrangement of aryl sulfonimidoyl fluorides","Chemical Science","2026","","","","","10.1039/D6SC00432F","","x-ray","1.54184","CuKα","","0.0378","0.0353","","","0.0939","0.0959","","","","","","1.035","","","","has coordinates,has disorder","305657","2026-04-29","22:10:00",""
"1577169","22.888","0.0003","12.473","0.0001","12.9999","0.0002","90","","105.132","0.001","90","","3582.56","0.08","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C18 H12 Br Cl N4 O2 S -","- C18 H12 Br Cl N4 O2 S -","- C144 H96 Br8 Cl8 N32 O16 S8 -","8","1","","Leypold, Mario; Poli, Lorenzo; Earl, Max; Putra, Okky D.; Kwapien, Karolina; Lewis, Richard J.; Murphy, John J.; Passamonti, Marta; von Sydow, Lena M.; Spelling, Victor; Asproudis, Ioannis; Sardana, Malvika; Gatti, Claudia; Seki, Hikaru; Lemaitre, Thomas; Juskaite, Radvile; Gopalakrishnan, Ranganath; Francis, Stuart J.; Gardelli, Cristina; Norrby, Per-Ola; Czechtizky, Werngard","Regioselective synthesis of aza-saccharins via anionic [1,4] Fries-type rearrangement of aryl sulfonimidoyl fluorides","Chemical Science","2026","","","","","10.1039/D6SC00432F","","","1.54184","CuKα","","0.0487","0.0429","","","0.1154","0.1215","","","","","","1.041","","","","has coordinates,has disorder","305657","2026-04-29","22:10:00",""
"1577170","11.212","0.0001","15.0667","0.0001","10.5758","0.0001","90","","100.62","0.001","90","","1755.95","0.03","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 N4 O3 S -","- C18 H18 N4 O3 S -","- C72 H72 N16 O12 S4 -","4","1","","Leypold, Mario; Poli, Lorenzo; Earl, Max; Putra, Okky D.; Kwapien, Karolina; Lewis, Richard J.; Murphy, John J.; Passamonti, Marta; von Sydow, Lena M.; Spelling, Victor; Asproudis, Ioannis; Sardana, Malvika; Gatti, Claudia; Seki, Hikaru; Lemaitre, Thomas; Juskaite, Radvile; Gopalakrishnan, Ranganath; Francis, Stuart J.; Gardelli, Cristina; Norrby, Per-Ola; Czechtizky, Werngard","Regioselective synthesis of aza-saccharins via anionic [1,4] Fries-type rearrangement of aryl sulfonimidoyl fluorides","Chemical Science","2026","","","","","10.1039/D6SC00432F","","x-ray","1.54184","CuKα","","0.032","0.0305","","","0.0768","0.0776","","","","","","1.047","","","","has coordinates","305657","2026-04-29","22:10:00",""
"1577171","12.6728","0.0001","17.1009","0.0001","11.2699","0.0001","90","","107.609","0.001","90","","2327.93","0.03","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C23 H19.5 N6.5 O3 S -","- C23 H19.5 N6.5 O3 S -","- C92 H78 N26 O12 S4 -","4","1","","Leypold, Mario; Poli, Lorenzo; Earl, Max; Putra, Okky D.; Kwapien, Karolina; Lewis, Richard J.; Murphy, John J.; Passamonti, Marta; von Sydow, Lena M.; Spelling, Victor; Asproudis, Ioannis; Sardana, Malvika; Gatti, Claudia; Seki, Hikaru; Lemaitre, Thomas; Juskaite, Radvile; Gopalakrishnan, Ranganath; Francis, Stuart J.; Gardelli, Cristina; Norrby, Per-Ola; Czechtizky, Werngard","Regioselective synthesis of aza-saccharins via anionic [1,4] Fries-type rearrangement of aryl sulfonimidoyl fluorides","Chemical Science","2026","","","","","10.1039/D6SC00432F","","x-ray","1.54184","CuKα","","0.0257","0.0241","","","0.0623","0.0646","","","","","","1.065","","","","has coordinates,has disorder","305657","2026-04-29","22:10:00",""
"1577172","9.384","0.0002","10.3587","0.0002","13.1433","0.0002","102.06","0.002","110.539","0.002","100.632","0.002","1122.67","0.05","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C21 H18 Br F3 N4 O3 S2 -","- C21 H18 Br F3 N4 O3 S2 -","- C42 H36 Br2 F6 N8 O6 S4 -","2","1","","Leypold, Mario; Poli, Lorenzo; Earl, Max; Putra, Okky D.; Kwapien, Karolina; Lewis, Richard J.; Murphy, John J.; Passamonti, Marta; von Sydow, Lena M.; Spelling, Victor; Asproudis, Ioannis; Sardana, Malvika; Gatti, Claudia; Seki, Hikaru; Lemaitre, Thomas; Juskaite, Radvile; Gopalakrishnan, Ranganath; Francis, Stuart J.; Gardelli, Cristina; Norrby, Per-Ola; Czechtizky, Werngard","Regioselective synthesis of aza-saccharins via anionic [1,4] Fries-type rearrangement of aryl sulfonimidoyl fluorides","Chemical Science","2026","","","","","10.1039/D6SC00432F","","x-ray","1.54184","CuKα","","0.0463","0.0416","","","0.1203","0.1235","","","","","","1.074","","","","has coordinates","305657","2026-04-29","22:10:00",""
"1577173","22.6442","0.0003","11.3144","0.0002","14.9695","0.0002","90","","92.123","0.001","90","","3832.64","0.1","99.98","0.1","100.15","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C33 H44 Cl2 N6 O8 Rh2 -","- C33 H44 Cl2 N6 O8 Rh2 -","- C132 H176 Cl8 N24 O32 Rh8 -","4","0.5","","Paikar, Arpan; Thai, Phong; Figgins, Matthew T.; Mandal, Bodhisattwa; Lekas, Matthew; Reibenspies, Joseph; Trieste, Gerard Van; Powers, David Charles","Synthesis, Characterization, and Imidogen Photochemistry of a Hydrazoic Acid Adduct of Rh2","Chemical Science","2026","","","","","10.1039/D6SC02258H","","","1.54184","CuKα","","0.0305","0.0293","","","0.0793","0.0805","","","","","","1.105","","","","has coordinates","305658","2026-04-29","22:10:28",""
"1577174","11.5718","0.0003","14.6728","0.0003","16.2451","0.0003","89.822","0.002","83.587","0.002","70.62","0.002","2584","0.1","100","0.1","100.15","","","","","","","","","7","P -1","-P 1","2","","","","- C47 H51 Cl2 F6 N6 O8 Rh2 -","- C46 H48 F6 N6 O8 Rh2 -","- C92 H96 F12 N12 O16 Rh4 -","2","1","","Paikar, Arpan; Thai, Phong; Figgins, Matthew T.; Mandal, Bodhisattwa; Lekas, Matthew; Reibenspies, Joseph; Trieste, Gerard Van; Powers, David Charles","Synthesis, Characterization, and Imidogen Photochemistry of a Hydrazoic Acid Adduct of Rh2","Chemical Science","2026","","","","","10.1039/D6SC02258H","","","1.54184","CuKα","","0.054","0.0477","","","0.1348","0.1423","","","","","","1.097","","","","has coordinates,has disorder","305658","2026-04-29","22:10:28",""
"1577175","9.882","0.0004","10.9681","0.0006","13.0253","0.0005","99.241","0.004","93.779","0.004","104.961","0.004","1337.65","0.11","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C48 H56 Cl6 N5.42 O8 Rh2 -","- C48 H56 Cl6 N5.42 O8 Rh2 -","- C48 H56 Cl6 N5.42 O8 Rh2 -","1","0.5","","Paikar, Arpan; Thai, Phong; Figgins, Matthew T.; Mandal, Bodhisattwa; Lekas, Matthew; Reibenspies, Joseph; Trieste, Gerard Van; Powers, David Charles","Synthesis, Characterization, and Imidogen Photochemistry of a Hydrazoic Acid Adduct of Rh2","Chemical Science","2026","","","","","10.1039/D6SC02258H","","x-ray","1.54184","CuKα","","0.0895","0.0756","","","0.1996","0.2163","","","","","","1.043","","","","has coordinates,has disorder","305658","2026-04-29","22:10:28",""
"1577176","9.7362","0.0001","11.0255","0.0002","13.0008","0.0002","100.047","0.001","93.4","0.001","104.109","0.001","1325.14","0.04","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C48 H56 Cl6 N6 O8 Rh2 -","- C48 H56 Cl6 N6 O8 Rh2 -","- C48 H56 Cl6 N6 O8 Rh2 -","1","0.5","","Paikar, Arpan; Thai, Phong; Figgins, Matthew T.; Mandal, Bodhisattwa; Lekas, Matthew; Reibenspies, Joseph; Trieste, Gerard Van; Powers, David Charles","Synthesis, Characterization, and Imidogen Photochemistry of a Hydrazoic Acid Adduct of Rh2","Chemical Science","2026","","","","","10.1039/D6SC02258H","","x-ray","1.54184","CuKα","","0.033","0.0321","","","0.0871","0.0878","","","","","","1.119","","","","has coordinates","305658","2026-04-29","22:10:28",""
"1577177","19.8111","0.0004","19.8111","0.0004","11.07","0.0003","90","","90","","90","","4344.75","0.17","99.98","0.1","99.98","0.1","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C44 H50 N4.98 O8 Rh2 -","- C44 H50 N4.992 O8 Rh2 -","- C176 H200 N19.968 O32 Rh8 -","4","0.5","","Paikar, Arpan; Thai, Phong; Figgins, Matthew T.; Mandal, Bodhisattwa; Lekas, Matthew; Reibenspies, Joseph; Trieste, Gerard Van; Powers, David Charles","Synthesis, Characterization, and Imidogen Photochemistry of a Hydrazoic Acid Adduct of Rh2","Chemical Science","2026","","","","","10.1039/D6SC02258H","","x-ray","1.54184","CuKα","","0.0846","0.07","","","0.1915","0.2104","","","","","","1.071","","","","has coordinates,has disorder","305658","2026-04-29","22:10:28",""
"1577178","19.6356","0.0001","19.6356","0.0001","11.1311","0.0001","90","","90","","90","","4291.67","0.05","100","0.1","100","0.1","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C44 H50 N6 O8 Rh2 -","- C44 H50 N6 O8 Rh2 -","- C176 H200 N24 O32 Rh8 -","4","0.5","","Paikar, Arpan; Thai, Phong; Figgins, Matthew T.; Mandal, Bodhisattwa; Lekas, Matthew; Reibenspies, Joseph; Trieste, Gerard Van; Powers, David Charles","Synthesis, Characterization, and Imidogen Photochemistry of a Hydrazoic Acid Adduct of Rh2","Chemical Science","2026","","","","","10.1039/D6SC02258H","","x-ray","1.54184","CuKα","","0.0381","0.0354","","","0.0987","0.1012","","","","","","1.1","","","","has coordinates","305658","2026-04-29","22:10:28",""
"1577179","11.4456","0.0002","14.6808","0.0002","16.3018","0.0002","90.12","0.001","95.341","0.001","109.552","0.001","2568.43","0.07","100","0.1","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C46 H48 F6 N6 O8 Rh2 -","- C46 H48 F6 N6 O8 Rh2 -","- C92 H96 F12 N12 O16 Rh4 -","2","1","","Paikar, Arpan; Thai, Phong; Figgins, Matthew T.; Mandal, Bodhisattwa; Lekas, Matthew; Reibenspies, Joseph; Trieste, Gerard Van; Powers, David Charles","Synthesis, Characterization, and Imidogen Photochemistry of a Hydrazoic Acid Adduct of Rh2","Chemical Science","2026","","","","","10.1039/D6SC02258H","","","1.54184","CuKα","","0.0392","0.0368","","","0.1033","0.1053","","","","","","1.053","","","","has coordinates,has disorder","305658","2026-04-29","22:10:28",""
"1577180","5.1343","0.0004","9.3898","0.0007","12.4989","0.001","90","","100.387","0.002","90","","592.7","0.08","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H14 O3 -","- C15 H14 O3 -","- C30 H28 O6 -","2","1","","Gan, Lifei; Li, Zi-Qing; Chen, Tao; Wan, Xuanchen; Zhang, Junyang; Ren, Jiangtao; Jiang, Ming; Cao, Penglong; Huang, Jinhai; Deng, Yu-Hua; Peng, Fangzhi; Tian, Run; Zhang, Zhi-Han; Wang, Yingcheng; Shao, Zhihui","Highly Cα-Regio-, Enantio-and Diastereoselective Mukaiyamatype Annulation of Siloxyfurans: Stereodivergent Synthesis of Multi-stereogenic Tricyclic γ-Lactones","Chemical Science","2026","","","","","10.1039/D6SC01491G","","x-ray","1.54178","CuKα","","0.0337","0.0336","","","0.0875","0.0875","","","","","","1.038","","","","has coordinates","305659","2026-04-29","22:10:43",""
"1577181","5.4496","0.0008","9.7142","0.0015","11.811","0.0018","90","","99.517","0.005","90","","616.65","0.16","298.15","","298.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H14 O3 -","- C15 H14 O3 -","- C30 H28 O6 -","2","1","","Gan, Lifei; Li, Zi-Qing; Chen, Tao; Wan, Xuanchen; Zhang, Junyang; Ren, Jiangtao; Jiang, Ming; Cao, Penglong; Huang, Jinhai; Deng, Yu-Hua; Peng, Fangzhi; Tian, Run; Zhang, Zhi-Han; Wang, Yingcheng; Shao, Zhihui","Highly Cα-Regio-, Enantio-and Diastereoselective Mukaiyamatype Annulation of Siloxyfurans: Stereodivergent Synthesis of Multi-stereogenic Tricyclic γ-Lactones","Chemical Science","2026","","","","","10.1039/D6SC01491G","","x-ray","1.54178","CuKα","","0.0329","0.0319","","","0.0847","0.0856","","","","","","1.055","","","","has coordinates","305659","2026-04-29","22:10:43",""
"1577182","12.0381","0.0014","6.3338","0.0006","15.2736","0.0019","90","","108.132","0.004","90","","1106.7","0.2","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H12 O2 -","- C15 H12 O2 -","- C60 H48 O8 -","4","1","","Gan, Lifei; Li, Zi-Qing; Chen, Tao; Wan, Xuanchen; Zhang, Junyang; Ren, Jiangtao; Jiang, Ming; Cao, Penglong; Huang, Jinhai; Deng, Yu-Hua; Peng, Fangzhi; Tian, Run; Zhang, Zhi-Han; Wang, Yingcheng; Shao, Zhihui","Highly Cα-Regio-, Enantio-and Diastereoselective Mukaiyamatype Annulation of Siloxyfurans: Stereodivergent Synthesis of Multi-stereogenic Tricyclic γ-Lactones","Chemical Science","2026","","","","","10.1039/D6SC01491G","","x-ray","0.71073","MoKα","","0.1116","0.0781","","","0.1855","0.2052","","","","","","1.092","","","","has coordinates","305659","2026-04-29","22:10:43",""
"1577183","5.6634","0.0005","9.6041","0.0008","25.492","0.002","90","","90","","90","","1386.6","0.2","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H13 N3 O4 -","- C15 H13 N3 O4 -","- C60 H52 N12 O16 -","4","1","","Gan, Lifei; Li, Zi-Qing; Chen, Tao; Wan, Xuanchen; Zhang, Junyang; Ren, Jiangtao; Jiang, Ming; Cao, Penglong; Huang, Jinhai; Deng, Yu-Hua; Peng, Fangzhi; Tian, Run; Zhang, Zhi-Han; Wang, Yingcheng; Shao, Zhihui","Highly Cα-Regio-, Enantio-and Diastereoselective Mukaiyamatype Annulation of Siloxyfurans: Stereodivergent Synthesis of Multi-stereogenic Tricyclic γ-Lactones","Chemical Science","2026","","","","","10.1039/D6SC01491G","","x-ray","1.54178","CuKα","","0.0292","0.0291","","","0.0807","0.0808","","","","","","1.059","","","","has coordinates","305659","2026-04-29","22:10:43",""
"1577184","5.399","0.0004","9.4977","0.0008","11.7771","0.0009","90","","99.88","0.002","90","","594.95","0.08","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H14 O3 -","- C15 H14 O3 -","- C30 H28 O6 -","2","1","","Gan, Lifei; Li, Zi-Qing; Chen, Tao; Wan, Xuanchen; Zhang, Junyang; Ren, Jiangtao; Jiang, Ming; Cao, Penglong; Huang, Jinhai; Deng, Yu-Hua; Peng, Fangzhi; Tian, Run; Zhang, Zhi-Han; Wang, Yingcheng; Shao, Zhihui","Highly Cα-Regio-, Enantio-and Diastereoselective Mukaiyamatype Annulation of Siloxyfurans: Stereodivergent Synthesis of Multi-stereogenic Tricyclic γ-Lactones","Chemical Science","2026","","","","","10.1039/D6SC01491G","","x-ray","1.54178","CuKα","","0.0273","0.0272","","","0.0732","0.0734","","","","","","1.059","","","","has coordinates","305659","2026-04-29","22:10:43",""
"1577185","10.7993","0.0004","17.2568","0.0006","17.2568","0.0006","98.46","","93.24","","93.24","","3169.1","0.2","100","","100","","","","","","","","","2","P -1","-P 1","2","","","","- C77 H92 -","- C77 H92 -","- C154 H184 -","2","1","","Zhou, Qifeng; Bao, Lin-Tao; Liu, Rui; Sun, Zhitao; Ye, Zhuolin; Jiao, Liuying; Fan, Wei; Zou, Ya; Yang, Hai-Bo; Wu, Jishan","π-Aggregation-Free, Fused Perylene Pentamers: Synthesis, Narrowband Far-Red to Near-Infrared Emission, and Chiroptical Properties","Chemical Science","2026","","","","","10.1039/D6SC00676K","","","1.54178","CuKα","","0.0962","0.0703","","","0.1748","0.1946","","","","","","1.03","","","","has coordinates,has disorder","305674","2026-04-30","22:10:01",""
"1577186","17.0845","0.0005","18.9701","0.0005","23.5086","0.0007","91.828","0.002","92.765","0.002","111.67","0.002","7062.2","0.4","106","","106","","","","","","","","","5","P -1","-P 1","2","","","","- C77.5 H92.25 Br Cl0.75 O0.25 -","- C77 H91 Br -","- C308 H364 Br4 -","4","2","","Zhou, Qifeng; Bao, Lin-Tao; Liu, Rui; Sun, Zhitao; Ye, Zhuolin; Jiao, Liuying; Fan, Wei; Zou, Ya; Yang, Hai-Bo; Wu, Jishan","π-Aggregation-Free, Fused Perylene Pentamers: Synthesis, Narrowband Far-Red to Near-Infrared Emission, and Chiroptical Properties","Chemical Science","2026","","","","","10.1039/D6SC00676K","","","1.54178","CuKα","","0.0639","0.0544","","","0.1396","0.1454","","","","","","1.026","","","","has coordinates,has disorder","305674","2026-04-30","22:10:01",""
"1577187","13.7074","0.0014","25.091","0.003","26.998","0.003","68.915","0.009","75.476","0.008","80.514","0.009","8358.3","1.7","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C400 H412 Cl24 -","- C328 H364 -","- C328 H364 -","1","0.5","","Zhou, Qifeng; Bao, Lin-Tao; Liu, Rui; Sun, Zhitao; Ye, Zhuolin; Jiao, Liuying; Fan, Wei; Zou, Ya; Yang, Hai-Bo; Wu, Jishan","π-Aggregation-Free, Fused Perylene Pentamers: Synthesis, Narrowband Far-Red to Near-Infrared Emission, and Chiroptical Properties","Chemical Science","2026","","","","","10.1039/D6SC00676K","","","1.54178","CuKα","","0.4133","0.1669","","","0.383","0.5735","","","","","","0.892","","","","has coordinates","305674","2026-04-30","22:10:01",""
"1577188","15.7143","0.0011","20.9969","0.0012","25.849","0.0017","99.95","0.004","93.203","0.005","90.623","0.004","8385.7","0.9","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C346 H404 Cl36 -","- C331 H374 Cl6 -","- C331 H374 Cl6 -","1","0.5","","Zhou, Qifeng; Bao, Lin-Tao; Liu, Rui; Sun, Zhitao; Ye, Zhuolin; Jiao, Liuying; Fan, Wei; Zou, Ya; Yang, Hai-Bo; Wu, Jishan","π-Aggregation-Free, Fused Perylene Pentamers: Synthesis, Narrowband Far-Red to Near-Infrared Emission, and Chiroptical Properties","Chemical Science","2026","","","","","10.1039/D6SC00676K","","","1.54178","CuKα","","0.1893","0.132","","","0.3579","0.3962","","","","","","1.194","","","","has coordinates,has disorder","305674","2026-04-30","22:10:01",""
"1577189","19.5386","0.0008","27.0718","0.0013","31.4143","0.0016","67.712","0.003","75.728","0.003","75.768","0.003","14683.9","1.2","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C335.5 H372.5 Cl5 N2.5 -","- C328 H360 -","- C656 H720 -","2","1","","Zhou, Qifeng; Bao, Lin-Tao; Liu, Rui; Sun, Zhitao; Ye, Zhuolin; Jiao, Liuying; Fan, Wei; Zou, Ya; Yang, Hai-Bo; Wu, Jishan","π-Aggregation-Free, Fused Perylene Pentamers: Synthesis, Narrowband Far-Red to Near-Infrared Emission, and Chiroptical Properties","Chemical Science","2026","","","","","10.1039/D6SC00676K","","","1.54178","CuKα","","0.3024","0.1234","","","0.309","0.4457","","","","","","1.003","","","","has coordinates,has disorder","305674","2026-04-30","22:10:01",""
"1577190","14.4516","0.0013","28.598","0.002","39.034","0.003","101.304","0.006","91.702","0.006","101.051","0.006","15488","2","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C344.89 H378.68 Cl3.74 -","- C342.501 H376.104 Cl2.4169 -","- C685.003 H752.209 Cl4.8338 -","2","1","","Zhou, Qifeng; Bao, Lin-Tao; Liu, Rui; Sun, Zhitao; Ye, Zhuolin; Jiao, Liuying; Fan, Wei; Zou, Ya; Yang, Hai-Bo; Wu, Jishan","π-Aggregation-Free, Fused Perylene Pentamers: Synthesis, Narrowband Far-Red to Near-Infrared Emission, and Chiroptical Properties","Chemical Science","2026","","","","","10.1039/D6SC00676K","","","1.54178","CuKα","","0.1814","0.1179","","","0.3192","0.3797","","","","","","1.186","","","","has coordinates,has disorder","305674","2026-04-30","22:10:01",""
"1577191","16.033","0.002","39.406","0.005","16.585","0.002","90","","91.947","0.009","90","","10472","2","193","","193","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C92 H123 Cl Co4 F2 N12 O26 S4 -","- C86 H109 Cl Co4 F2 N10 O24 S4 -","- C344 H436 Cl4 Co16 F8 N40 O96 S16 -","4","1","","Wang, Yating; Zhang, Feifei; Yang, Yanan; Wang, Xiaoqing; Li, Jinping; Yang, Jiangfeng","Rationally designed tetrahedral-configuration-matching methane trap in a metal–organic framework for efficient CH4/N2 separation","Chemical Science","2026","","","","","10.1039/D6SC02393B","","x-ray","1.54178","CuKα","","0.1364","0.0839","","","0.2154","0.2514","","","","","","1.016","","","","has coordinates,has disorder","305675","2026-04-30","22:10:20",""
"1577192","15.2065","0.001","10.986","0.0007","15.9067","0.0009","90","","107.571","0.004","90","","2533.4","0.3","193","","193","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C35 H29 N O -","- C35 H29 N O -","- C140 H116 N4 O4 -","4","1","","Tan, Yi; Li, Yan; Li, Haoran; Xie, Shuting; Li, Yang; Yang, Cheng; Ma, Jingyao; Zhang, Jingrui; Zhang, Zheng; Jin, Lingzhi; Chen, Yugang; Wang, Kuande; Xue, Zhihao; Mu, Yihao; Tan, Jiangtian; Wang, Sha-Sha; Xie, Ling-Hai","The Role of Solvent-Molecule Hydrogen Bonding in Polyphenylfluorene-Carbazole Systems: Tuning Molecular Packing Patterns, Crystal Morphologies, and Solid-State Luminescence Efficiency","Nanoscale","2026","","","","","10.1039/D6NR01562J","","","1.54178","CuKα","","0.1006","0.0596","","","0.1369","0.1588","","","","","","1.027","","","","has coordinates,has disorder","305691","2026-05-03","00:11:11",""
"1577193","16.488","0.0018","8.6581","0.0009","33.176","0.003","90","","90","","90","","4736","0.8","294.43","","298","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C33 H25 N -","- C33 H25 N -","- C264 H200 N8 -","8","1","","Tan, Yi; Li, Yan; Li, Haoran; Xie, Shuting; Li, Yang; Yang, Cheng; Ma, Jingyao; Zhang, Jingrui; Zhang, Zheng; Jin, Lingzhi; Chen, Yugang; Wang, Kuande; Xue, Zhihao; Mu, Yihao; Tan, Jiangtian; Wang, Sha-Sha; Xie, Ling-Hai","The Role of Solvent-Molecule Hydrogen Bonding in Polyphenylfluorene-Carbazole Systems: Tuning Molecular Packing Patterns, Crystal Morphologies, and Solid-State Luminescence Efficiency","Nanoscale","2026","","","","","10.1039/D6NR01562J","","","0.71073","MoKα","","0.0854","0.0468","","","0.0893","0.1039","","","","","","1.054","","","","has coordinates","305691","2026-05-03","00:11:11",""
"1577194","6.849","0.0014","13.755","0.003","15.299","0.003","90","","90","","90","","1441.3","0.5","153","2","153","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C32 H33 N3 O2 Pd -","- C32 H33 N3 O2 Pd -","- C64 H66 N6 O4 Pd2 -","2","0.5","","Yu, Beiming; Jia, Shuling; Zhu, Xuanren; Li, Jiaojiao; Sun, Changguo; Ma, Chao; Ma, Shuangshuang; Wu, Minjian; Hu, Zhiyuan; Wu, Xiaolu; Gao, Guangpeng; Li, Xiaofang","AIE/CPL dual-functional poly(aryl isocyanide)s synthesized using (S,S)-bis(oxazolinylphenyl)amido-ligated palladium phenylethynyl complexes: high-security anti-counterfeiting and targeted cellular imaging","Polymer Chemistry","2026","17","20","2126","2143","10.1039/D6PY00246C","","","0.71073","MoKα","","0.047","0.0408","","","0.1136","0.1477","","","","","","1.248","","","","has coordinates,has disorder","306510","2026-06-05","19:36:49",""
"1577195","17.7846","0.0016","9.0274","0.0008","18.6839","0.0016","90","","104.408","0.003","90","","2905.3","0.4","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","{(PPh3)Au[CPN3Bn]}2","","- C11 H16 Au N3 P2 -","- C11 H16 Au N3 P2 -","- C88 H128 Au8 N24 P16 -","8","2","","Yakubenko, Artyom; García-Romero, Álvaro; Urwin, Stephanie; Fernandez, Israel; Goicoechea, Jose M.","Cyaphide Generation at an Aluminium(I) Center: A Useful Precursor for Phosphorus-Containing Heterocycles","Chemical Science","2026","","","","","10.1039/D6SC03023H","","","0.71073","MoKα","","0.042","0.0358","","","0.0911","0.0936","","","","","","1.166","","","","has coordinates","305869","2026-05-05","22:12:36",""
"1577196","6.2162","0.0005","8.1483","0.0007","9.9156","0.0009","88.024","0.003","85.736","0.003","89.791","0.003","500.55","0.07","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","ICPN3Bn","","- C8 H7 I N3 P -","- C8 H7 I N3 P -","- C16 H14 I2 N6 P2 -","2","1","","Yakubenko, Artyom; García-Romero, Álvaro; Urwin, Stephanie; Fernandez, Israel; Goicoechea, Jose M.","Cyaphide Generation at an Aluminium(I) Center: A Useful Precursor for Phosphorus-Containing Heterocycles","Chemical Science","2026","","","","","10.1039/D6SC03023H","","","0.71073","MoKα","","0.0561","0.0528","","","0.1517","0.1536","","","","","","1.162","","","","has coordinates","305869","2026-05-05","22:12:36",""
"1577197","10.3918","0.0007","19.218","0.0014","20.1992","0.0013","90","","94.649","0.002","90","","4020.7","0.5","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","[{N(Dipp)}2(CMe)2CH]Al(CP)(OSiiPr3)","","- C39 H62 Al N2 O P Si -","- C39 H62 Al N2 O P Si -","- C156 H248 Al4 N8 O4 P4 Si4 -","4","1","","Yakubenko, Artyom; García-Romero, Álvaro; Urwin, Stephanie; Fernandez, Israel; Goicoechea, Jose M.","Cyaphide Generation at an Aluminium(I) Center: A Useful Precursor for Phosphorus-Containing Heterocycles","Chemical Science","2026","","","","","10.1039/D6SC03023H","","","0.71073","MoKα","","0.0872","0.0675","","","0.192","0.2151","","","","","","1.036","","","","has coordinates,has disorder","305869","2026-05-05","22:12:36",""
"1577198","11.767","0.0004","17.4531","0.0005","22.612","0.0008","90","","100.268","0.001","90","","4569.5","0.3","153","2","153","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[{N(Dipp)}2(CMe)2CH]Al(DMAP)[CPN3Bn]","","- C46 H69 Al N5 O P Si -","- C46 H69 Al N5 O P Si -","- C184 H276 Al4 N20 O4 P4 Si4 -","4","1","","Yakubenko, Artyom; García-Romero, Álvaro; Urwin, Stephanie; Fernandez, Israel; Goicoechea, Jose M.","Cyaphide Generation at an Aluminium(I) Center: A Useful Precursor for Phosphorus-Containing Heterocycles","Chemical Science","2026","","","","","10.1039/D6SC03023H","","","0.71073","MoKα","","0.0537","0.042","","","0.1202","0.1346","","","","","","1.114","","","","has coordinates,has disorder","305869","2026-05-05","22:12:36",""
"1577199","8.6485","0.0007","11.5609","0.0008","19.9875","0.0014","89.688","0.002","88.07","0.002","87.097","0.002","1994.7","0.3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","[{N(Dipp)}2(CMe)2CH]Al(CPOSiiPr3)","","- C39 H62 Al N2 O P Si -","- C39 H62 Al N2 O P Si -","- C78 H124 Al2 N4 O2 P2 Si2 -","2","1","","Yakubenko, Artyom; García-Romero, Álvaro; Urwin, Stephanie; Fernandez, Israel; Goicoechea, Jose M.","Cyaphide Generation at an Aluminium(I) Center: A Useful Precursor for Phosphorus-Containing Heterocycles","Chemical Science","2026","","","","","10.1039/D6SC03023H","","","0.71073","MoKα","","0.067","0.0509","","","0.1133","0.121","","","","","","1.051","","","","has coordinates","305869","2026-05-05","22:12:36",""
"1577200","14.9852","0.0008","16.4874","0.0008","22.1867","0.0009","90","","106.04","0.002","90","","5268.2","0.4","153","2","153","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[{N(Dipp)}2(CMe)2CH]Al[OSi(iPr)3][CPN3TMS]*solvent","","- C48 H85 Al N5 O P Si2 -","- C42 H71 Al N5 O P Si2 -","- C168 H284 Al4 N20 O4 P4 Si8 -","4","1","","Yakubenko, Artyom; García-Romero, Álvaro; Urwin, Stephanie; Fernandez, Israel; Goicoechea, Jose M.","Cyaphide Generation at an Aluminium(I) Center: A Useful Precursor for Phosphorus-Containing Heterocycles","Chemical Science","2026","","","","","10.1039/D6SC03023H","","","0.71073","MoKα","","0.0618","0.0498","","","0.1445","0.158","","","","","","1.079","","","","has coordinates,has disorder","305869","2026-05-05","22:12:36",""
"1577201","20.587","0.008","21.285","0.009","21.877","0.008","62.123","0.017","81.9","0.02","71.758","0.019","8048","6","153","2","153","2","","","","","","","","7","P -1","-P 1","2","","[{N(Dipp)}2(CMe)2CH]Al[OCPSiiPr3] - two isomers","","- C39 H62 Al N2 O P Si -","- C39 H62 Al N2 O P Si -","- C312 H496 Al8 N16 O8 P8 Si8 -","8","4","","Yakubenko, Artyom; García-Romero, Álvaro; Urwin, Stephanie; Fernandez, Israel; Goicoechea, Jose M.","Cyaphide Generation at an Aluminium(I) Center: A Useful Precursor for Phosphorus-Containing Heterocycles","Chemical Science","2026","","","","","10.1039/D6SC03023H","","","1.54184","CuKα","","0.0914","0.0738","","","0.2075","0.2216","","","","","","1.022","","","","has coordinates,has disorder","305869","2026-05-05","22:12:36",""
"1577202","18.5159","0.0011","12.9787","0.0008","39.504","0.002","90","","96.21","0.002","90","","9437.6","0.9","153","2","153","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","[{N(Dipp)}2(CMe)2CH]Al[CPNi(COD)](OSiiPr3)","","- C47 H74 Al N2 Ni O P Si -","- C47 H74 Al N2 Ni O P Si -","- C376 H592 Al8 N16 Ni8 O8 P8 Si8 -","8","2","","Yakubenko, Artyom; García-Romero, Álvaro; Urwin, Stephanie; Fernandez, Israel; Goicoechea, Jose M.","Cyaphide Generation at an Aluminium(I) Center: A Useful Precursor for Phosphorus-Containing Heterocycles","Chemical Science","2026","","","","","10.1039/D6SC03023H","","","0.71073","MoKα","","0.0605","0.0439","","","0.1155","0.1285","","","","","","1.035","","","","has coordinates,has disorder","305869","2026-05-05","22:12:36",""
"1577203","12.3931","0.0003","17.6838","0.0005","20.4243","0.0006","90","","100.162","0.001","90","","4405.9","0.2","153","2","153","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","[{N(Dipp)}2(CMe)2CH]Al[CP(CH2)2(CMe)2](OSiiPr3)","","- C45 H72 Al N2 O P Si -","- C45 H72 Al N2 O P Si -","- C180 H288 Al4 N8 O4 P4 Si4 -","4","1","","Yakubenko, Artyom; García-Romero, Álvaro; Urwin, Stephanie; Fernandez, Israel; Goicoechea, Jose M.","Cyaphide Generation at an Aluminium(I) Center: A Useful Precursor for Phosphorus-Containing Heterocycles","Chemical Science","2026","","","","","10.1039/D6SC03023H","","","0.71073","MoKα","","0.0759","0.0524","","","0.1492","0.1747","","","","","","1.121","","","","has coordinates","305869","2026-05-05","22:12:36",""
"1577204","9.1861","0.001","15.0323","0.0011","16.919","0.002","107.194","0.01","94.929","0.012","91.656","0.007","2220","0.4","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C46 H66 F6 N3 O3 P -","- C46 H66 F6 N3 O3 P -","- C92 H132 F12 N6 O6 P2 -","2","1","","Nowack, Marko Heine; Pescitelli, Gennaro; Lanza, Arianna; Laursen, Bo W.","Breaking the Limit - Synthesis and Properties of p-Amino-Triazatriangulenium, the Most Stable Carbenium Ion","Chemical Science","2026","","","","","10.1039/D6SC01535B","single crystal","electron","0.0251","electron","","0.2725","0.217","","","0.5489","0.5896","","","","","","1.063","","","","has coordinates,has disorder","305870","2026-05-05","22:12:56",""
"1577205","10.541","0.003","20.426","0.006","17.295","0.006","90","","97.644","0.01","90","","3691","2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H2 Al F41 O5 Xe -","- C22 H2 Al F41 O5 Xe -","- C88 H8 Al4 F164 O20 Xe4 -","4","1","","Kloiber, Konstantin; Heinzmann, Tim; Lacombe, Benoît; Thielert, Philipp; Sellin, Malte; Schwandt, Tim; Richert, Sabine; Weber, Stefan; Krossing, Ingo","Using Xenon Difluoride and 2 Li[Al{OC(CF3)3}4] as an Oxidant: From Organoxenonium Intermediates to (Fluoro-)Biphenyl Radical Cations","Chemical Science","2026","","","","","10.1039/D6SC01402J","","x-ray","0.71073","MoKα","","0.0512","0.0432","","","0.1097","0.1158","","","","","","1.115","","","","has coordinates,has disorder","305871","2026-05-05","22:13:42",""
"1577206","17.857","0.0018","17.785","0.004","18.0695","0.0017","90","","90","","90","","5738.6","1.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 Al F33 O3 Xe -","- C18 Al F33 O3 Xe -","- C144 Al8 F264 O24 Xe8 -","8","1","","Kloiber, Konstantin; Heinzmann, Tim; Lacombe, Benoît; Thielert, Philipp; Sellin, Malte; Schwandt, Tim; Richert, Sabine; Weber, Stefan; Krossing, Ingo","Using Xenon Difluoride and 2 Li[Al{OC(CF3)3}4] as an Oxidant: From Organoxenonium Intermediates to (Fluoro-)Biphenyl Radical Cations","Chemical Science","2026","","","","","10.1039/D6SC01402J","","x-ray","0.71073","MoKα","","0.0231","0.0195","","","0.0474","0.0493","","","","","","1.03","","","","has coordinates","305871","2026-05-05","22:13:42",""
"1577207","13.2484","0.0007","16.7851","0.0011","44.788","0.003","90","","95.969","0.002","90","","9905.8","1.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 Al2 F60 O6 Xe -","- C30 Al2 F60 O6 Xe -","- C240 Al16 F480 O48 Xe8 -","8","2","","Kloiber, Konstantin; Heinzmann, Tim; Lacombe, Benoît; Thielert, Philipp; Sellin, Malte; Schwandt, Tim; Richert, Sabine; Weber, Stefan; Krossing, Ingo","Using Xenon Difluoride and 2 Li[Al{OC(CF3)3}4] as an Oxidant: From Organoxenonium Intermediates to (Fluoro-)Biphenyl Radical Cations","Chemical Science","2026","","","","","10.1039/D6SC01402J","","x-ray","0.71073","MoKα","","0.0559","0.0537","","","0.1205","0.1214","","","","","","1.216","","","","has coordinates,has disorder","305871","2026-05-05","22:13:42",""
"1577208","19.009","0.007","10.125","0.003","20.209","0.005","90","","109.554","0.007","90","","3665","2","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H8 Al F38 O4 -","- C28 H8 Al F38 O4 -","- C112 H32 Al4 F152 O16 -","4","0.5","","Kloiber, Konstantin; Heinzmann, Tim; Lacombe, Benoît; Thielert, Philipp; Sellin, Malte; Schwandt, Tim; Richert, Sabine; Weber, Stefan; Krossing, Ingo","Using Xenon Difluoride and 2 Li[Al{OC(CF3)3}4] as an Oxidant: From Organoxenonium Intermediates to (Fluoro-)Biphenyl Radical Cations","Chemical Science","2026","","","","","10.1039/D6SC01402J","","","0.71073","MoKα","","0.0815","0.0414","","","0.088","0.1046","","","","","","1.0641","","","","has coordinates","305871","2026-05-05","22:13:42",""
"1577209","15.5644","0.0002","12.0487","0.0001","16.9585","0.0002","90","","95.437","0.001","90","","3165.93","0.06","173","0.1","173","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C64 H80 N8 O12 -","- C64 H80 N8 O12 -","- C128 H160 N16 O24 -","2","0.5","","Liu, Chuan-Zhi; Zhang, Chi; Zheng, Hua-Shuo; Luo, Liuxin; Hou, Shuang-Shuang; Guo, Song-Hao; Zhang, Meng-Ge; Peng, Xin-Yao; Xu, Liang; Zhai, Bin","Chalcogen Bonding Directed Photoresponsive Helix from Azo-Fused H-Bonded Arylamide Foldamers","Chemical Science","2026","","","","","10.1039/D5SC10108E","","x-ray","1.54184","CuKα","","0.0556","0.0493","","","0.1189","0.1227","","","","","","1.07","","","","has coordinates","305872","2026-05-05","22:13:55",""
"1577210","12.311","0.002","13.452","0.002","14.199","0.002","94.632","0.005","113.655","0.005","111.398","0.005","1933","0.5","170","","170","","","","","","","","","5","P -1","-P 1","2","","","","- C72 H90 N10 O12 Se2 -","- C72 H90 N10 O12 Se2 -","- C72 H90 N10 O12 Se2 -","1","0.5","","Liu, Chuan-Zhi; Zhang, Chi; Zheng, Hua-Shuo; Luo, Liuxin; Hou, Shuang-Shuang; Guo, Song-Hao; Zhang, Meng-Ge; Peng, Xin-Yao; Xu, Liang; Zhai, Bin","Chalcogen Bonding Directed Photoresponsive Helix from Azo-Fused H-Bonded Arylamide Foldamers","Chemical Science","2026","","","","","10.1039/D5SC10108E","","","1.34139","GaKα","","0.0548","0.0486","","","0.1336","0.1381","","","","","","1.069","","","","has coordinates,has disorder","305872","2026-05-05","22:13:55",""
"1577211","53.1545","0.0016","12.9581","0.0004","16.6244","0.0004","90","","101.771","0.003","90","","11209.8","0.6","223","","223","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C61 H63 F6 N3 O11 -","- C61 H63 F6 N3 O11 -","- C488 H504 F48 N24 O88 -","8","2","","Wang, Yu; Ma, Yalei; Wen, Ruijuan; Li, Jing; Liu, Taihong; Ding, Liping; Miao, Rong; Fang, Yu","Manipulating excited-state dynamics through macrocycle positioning in a rotaxane for sensitive and discriminative methanol sensing","Chemical Science","2026","","","","","10.1039/D6SC00753H","","x-ray","1.54178","CuKα","","0.1272","0.0748","","","0.2099","0.2641","","","","","","1.052","","","","has coordinates,has disorder","305873","2026-05-05","22:14:03",""
"1577212","9.1083","0.0001","12.7991","0.0001","30.4943","0.0003","90","","90","","90","","3554.97","0.06","100","0.1","100","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C40 H35 Br2 Cl2 N O3 -","- C40 H35 Br2 Cl2 N O3 -","- C160 H140 Br8 Cl8 N4 O12 -","4","1","","Zhang, Yanbo; Xie, Yichao; Guo, Baicheng; Dou, Yingchao; Yang, Dandan; Niu, Jun-Long","De novo construction of C-O axial chirality via cobalt-catalyzed atroposelective C-H activation/annulation","Chemical Science","2026","","","","","10.1039/D6SC02299E","","x-ray","1.54184","CuKα","","0.0281","0.027","","","0.071","0.0718","","","","","","1.057","","","","has coordinates,has disorder","305882","2026-05-06","22:18:57",""
"1577213","11.9176","0.0001","13.7486","0.0001","22.4163","0.0002","90","","90","","90","","3672.92","0.05","100","0.1","100","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C40 H42 Cl2 N2 O2 Si -","- C40 H42 Cl2 N2 O2 Si -","- C160 H168 Cl8 N8 O8 Si4 -","4","1","","Zhang, Yanbo; Xie, Yichao; Guo, Baicheng; Dou, Yingchao; Yang, Dandan; Niu, Jun-Long","De novo construction of C-O axial chirality via cobalt-catalyzed atroposelective C-H activation/annulation","Chemical Science","2026","","","","","10.1039/D6SC02299E","","x-ray","1.54184","CuKα","","0.0368","0.0361","","","0.0973","0.0978","","","","","","1.039","","","","has coordinates,has disorder","305882","2026-05-06","22:18:57",""
"1577214","8.8086","0.0008","11.2755","0.001","17.0807","0.0015","77.09","0.003","86.735","0.003","68.955","0.003","1542.8","0.2","299","2","299","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H24 Cl3 Fe N4 O3 S -","- C30 H24 Cl3 Fe N4 O3 S -","- C60 H48 Cl6 Fe2 N8 O6 S2 -","2","1","","Panicker, Rakesh R.; Hadiyal , Kaval; Ranjan, Prabodh; Ganesan, Ramakrishnan; Brahmananda Rao, C. V. S.; Natarajan, Rajasekar; Thien, Gregory Soon How; Chan, Kah‐Yoong; Thakre, Atul; Rajagopal, Desikan; Thamankar, Ramesh; Sudakar, Chandran; Sivaramakrishna, Akella","Combined resistive switching memory and multi-state operation in Terpyridine - based Pd(II) and Fe(III) Complexes for neuromorphic applications","Nanoscale","2026","","","","","10.1039/D5NR05022G","","","0.71073","MoKα","","0.0984","0.0838","","","0.2457","0.2548","","","","","","1.163","","","","has coordinates","305885","2026-05-07","01:07:54",""
"1577215","7.6486","0.001","12.5862","0.0017","15.949","0.002","81.458","0.005","78.374","0.004","86.788","0.004","1486.6","0.3","300","2","300","","","","","","","","","7","P -1","-P 1","2","","","","- C28 H21 Cl2 N3 O3 Pd S -","- C28 H21 Cl2 N3 O3 Pd S -","- C56 H42 Cl4 N6 O6 Pd2 S2 -","2","1","","Panicker, Rakesh R.; Hadiyal , Kaval; Ranjan, Prabodh; Ganesan, Ramakrishnan; Brahmananda Rao, C. V. S.; Natarajan, Rajasekar; Thien, Gregory Soon How; Chan, Kah‐Yoong; Thakre, Atul; Rajagopal, Desikan; Thamankar, Ramesh; Sudakar, Chandran; Sivaramakrishna, Akella","Combined resistive switching memory and multi-state operation in Terpyridine - based Pd(II) and Fe(III) Complexes for neuromorphic applications","Nanoscale","2026","","","","","10.1039/D5NR05022G","","","0.71073","MoKα","","0.0793","0.0647","","","0.1748","0.1909","","","","","","1.053","","","","has coordinates","305885","2026-05-07","01:07:54",""
"1577216","9.656","0.007","16.141","0.012","30.678","0.018","90","","90","","90","","4781","6","298","2","298","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H21 N3 O3 S -","- C28 H21 N3 O3 S -","- C224 H168 N24 O24 S8 -","8","1","","Panicker, Rakesh R.; Hadiyal , Kaval; Ranjan, Prabodh; Ganesan, Ramakrishnan; Brahmananda Rao, C. V. S.; Natarajan, Rajasekar; Thien, Gregory Soon How; Chan, Kah‐Yoong; Thakre, Atul; Rajagopal, Desikan; Thamankar, Ramesh; Sudakar, Chandran; Sivaramakrishna, Akella","Combined resistive switching memory and multi-state operation in Terpyridine - based Pd(II) and Fe(III) Complexes for neuromorphic applications","Nanoscale","2026","","","","","10.1039/D5NR05022G","","","0.71073","MoKα","","0.0748","0.0433","","","0.1005","0.1349","","","","","","1.149","","","","has coordinates","305885","2026-05-07","01:07:54",""
"1577217","14.086","0.0005","14.7214","0.0005","13.0652","0.0005","90","","90.281","0.001","90","","2709.24","0.17","198","2","198","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H26 Cl6 N2 Pu -","- C16 H26.008 Cl6 N2 Pu -","- C64 H104.032 Cl24 N8 Pu4 -","4","0.5","","Alcock, Nathan M.; Huzan, Myron; Burrow, Timothy; Hunault, Myrtille O.J.Y; Tamain, Christelle; Autillo, Matthieu; Dumas, Thomas; Baker, Michael Lloyd","Resolving the inner versus outer component of the 5 f radial wavefunction in the early actinides","Chemical Science","2026","","","","","10.1039/D6SC02413K","","","0.71073","MoKα","","0.0397","0.0344","","","0.0945","0.1025","","","","","","1.047","","","","has coordinates,has disorder","305889","2026-05-07","22:11:20",""
"1577218","14.091","0.0005","14.7638","0.0005","13.058","0.0005","90","","90.18","0.001","90","","2716.53","0.17","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H28 Cl6 N2 Np -","- C16 H28 Cl6 N2 Np -","- C64 H112 Cl24 N8 Np4 -","4","0.5","","Alcock, Nathan M.; Huzan, Myron; Burrow, Timothy; Hunault, Myrtille O.J.Y; Tamain, Christelle; Autillo, Matthieu; Dumas, Thomas; Baker, Michael Lloyd","Resolving the inner versus outer component of the 5 f radial wavefunction in the early actinides","Chemical Science","2026","","","","","10.1039/D6SC02413K","","","0.71073","MoKα","","0.0308","0.0241","","","0.0622","0.068","","","","","","1.046","","","","has coordinates,has disorder","305889","2026-05-07","22:11:20",""
"1577219","9.5231","0.0003","10.2273","0.0003","34.438","0.0011","90","","90","","90","","3354.11","0.18","193","","193","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C43 H38 Cl N O2 P Rh -","- C43 H38 Cl N O2 P Rh -","- C172 H152 Cl4 N4 O8 P4 Rh4 -","4","1","","Zhang, Xi; Bai, Jingyi; Zhao, Yue; Wang, Minyan; Shi, Zhuangzhi","Modular assembly of chiral biaryl phosphoramidite (BPA) libraries by nickel catalysis","Chemical Science","2026","","","","","10.1039/D6SC00358C","","","1.34139","GaKα","","0.0292","0.0266","","","0.0615","0.0627","","","","","","1.061","","","","has coordinates","305899","2026-05-08","22:08:53",""
"1577220","8.447","0.0003","11.8239","0.0004","33.0145","0.0012","90","","90","","90","","3297.4","0.2","193","","193","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H30 N O2 P -","- C40 H30 N O2 P -","- C160 H120 N4 O8 P4 -","4","1","","Zhang, Xi; Bai, Jingyi; Zhao, Yue; Wang, Minyan; Shi, Zhuangzhi","Modular assembly of chiral biaryl phosphoramidite (BPA) libraries by nickel catalysis","Chemical Science","2026","","","","","10.1039/D6SC00358C","","","0.71073","MoKα","","0.076","0.0564","","","0.1384","0.1521","","","","","","1.036","","","","has coordinates,has disorder","305899","2026-05-08","22:08:53",""
"1577221","9.5448","0.0004","10.2425","0.0005","34.4551","0.0014","90","","90","","90","","3368.4","0.3","193","","193","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C43 H38 Cl Ir N O2 P -","- C43 H38 Cl Ir N O2 P -","- C172 H152 Cl4 Ir4 N4 O8 P4 -","4","1","","Zhang, Xi; Bai, Jingyi; Zhao, Yue; Wang, Minyan; Shi, Zhuangzhi","Modular assembly of chiral biaryl phosphoramidite (BPA) libraries by nickel catalysis","Chemical Science","2026","","","","","10.1039/D6SC00358C","","","1.34139","GaKα","","0.041","0.0343","","","0.0757","0.0783","","","","","","1.051","","","","has coordinates","305899","2026-05-08","22:08:53",""
"1577222","22.4223","0.0018","12.8037","0.001","18.065","0.0016","90","","104.788","0.006","90","","5014.5","0.7","200","","200","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H58 Br8 Rh2 Si6 -","- C34 H58 Br8 Rh2 Si6 -","- C136 H232 Br32 Rh8 Si24 -","4","0.5","","Zhang, Xi; Bai, Jingyi; Zhao, Yue; Wang, Minyan; Shi, Zhuangzhi","Modular assembly of chiral biaryl phosphoramidite (BPA) libraries by nickel catalysis","Chemical Science","2026","","","","","10.1039/D6SC00358C","","","0.71073","MoKα","","0.1099","0.0838","","","0.2041","0.2262","","","","","","1.129","","","","has coordinates","305899","2026-05-08","22:08:53",""
"1577223","8.3218","0.0001","18.6369","0.0003","9.0109","0.0001","90","","103.159","0.002","90","","1360.83","0.03","250.01","0.1","250.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H20 I6 N12 O2 Pb -","- C6 H20 I6 N12 O2 Pb -","- C12 H40 I12 N24 O4 Pb2 -","2","0.5","","Yang, Xin; Huang, Yu-Hua; Zhang, Qiangsheng; Wang, Xu-Dong; Kuang, Dai-Bin","High-Performance Photodetector Enabled by Melamine Cation Based Lead Free Perovskitoid Single Crystals","Nanoscale","2026","","","","","10.1039/D6NR00551A","","x-ray","1.54184","CuKα","","0.0477","0.0461","","","0.1256","0.1276","","","","","","1.048","","","","has coordinates","305915","2026-05-10","00:19:06",""
"1577224","8.3908","0.0005","9.993","0.0005","26.7613","0.0012","95.723","0.004","94.65","0.004","110.042","0.005","2081.5","0.2","149.98","0.1","149.98","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C6 H32 Bi2 I10 N12 O8 -","- C6 H32 Bi2 I10 N12 O8 -","- C12 H64 Bi4 I20 N24 O16 -","2","1","","Yang, Xin; Huang, Yu-Hua; Zhang, Qiangsheng; Wang, Xu-Dong; Kuang, Dai-Bin","High-Performance Photodetector Enabled by Melamine Cation Based Lead Free Perovskitoid Single Crystals","Nanoscale","2026","","","","","10.1039/D6NR00551A","","x-ray","1.54184","CuKα","","0.0668","0.0427","","","0.0775","0.0892","","","","","","0.868","","","","has coordinates","305915","2026-05-10","00:19:06",""
"1577225","16.3766","0.0003","10.38959","0.00018","11.4772","0.0003","90","","103.825","0.002","90","","1896.23","0.07","170","0.1","170","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H22 O2 -","- C25 H22 O2 -","- C100 H88 O8 -","4","1","","Chen, Liangliang; Shangguan, Zhichun; Shi, Tianyu; Qin, Liyuan; Zeng, Yiyun; Zhu, Qingqiu; Chen, Jin; Liang, Junhong; Miao, Wentao; He, Yurong; Qiu, Xiaosong; Wang, Xunchang; Zhang, Deqing; Yang, Renqiang","Sterically controlled 5-exo-dig cyclization enables synthesis of non-benzenoid polycyclic aromatic hydrocarbons with intriguing (anti)aromaticity and diradical properties","Chemical Science","2026","","","","","10.1039/D6SC00121A","","x-ray","1.54184","CuKα","","0.0667","0.0592","","","0.158","0.1637","","","","","","1.066","","","","has coordinates","305922","2026-05-11","22:12:18",""
"1577226","14.5495","0.0001","15.2378","0.0002","19.4658","0.0002","97.616","0.001","100.214","0.001","108.788","0.001","3936.74","0.08","170","1","170","1","","","","","","","","4","P -1","-P 1","2","","","","- C94 H86 Cl6 O8 -","- C94 H86 Cl6 O8 -","- C188 H172 Cl12 O16 -","2","1","","Chen, Liangliang; Shangguan, Zhichun; Shi, Tianyu; Qin, Liyuan; Zeng, Yiyun; Zhu, Qingqiu; Chen, Jin; Liang, Junhong; Miao, Wentao; He, Yurong; Qiu, Xiaosong; Wang, Xunchang; Zhang, Deqing; Yang, Renqiang","Sterically controlled 5-exo-dig cyclization enables synthesis of non-benzenoid polycyclic aromatic hydrocarbons with intriguing (anti)aromaticity and diradical properties","Chemical Science","2026","","","","","10.1039/D6SC00121A","","x-ray","1.54184","CuKα","","0.0739","0.0649","","","0.1821","0.1906","","","","","","1.071","","","","has coordinates","305922","2026-05-11","22:12:18",""
"1577227","18.9545","0.0005","20.803","0.0007","21.5827","0.0006","88.929","0.002","65.138","0.003","80.456","0.003","7602.3","0.4","169.97","0.12","169.97","0.12","","","","","","","","3","P -1","-P 1","2","","","","- C198 H168 O6 -","- C198 H168 O6 -","- C396 H336 O12 -","2","1","","Chen, Liangliang; Shangguan, Zhichun; Shi, Tianyu; Qin, Liyuan; Zeng, Yiyun; Zhu, Qingqiu; Chen, Jin; Liang, Junhong; Miao, Wentao; He, Yurong; Qiu, Xiaosong; Wang, Xunchang; Zhang, Deqing; Yang, Renqiang","Sterically controlled 5-exo-dig cyclization enables synthesis of non-benzenoid polycyclic aromatic hydrocarbons with intriguing (anti)aromaticity and diradical properties","Chemical Science","2026","","","","","10.1039/D6SC00121A","","x-ray","1.54184","CuKα","","0.1599","0.0746","","","0.1791","0.2221","","","","","","0.963","","","","has coordinates","305922","2026-05-11","22:12:18",""
"1577228","9.8909","0.0004","10.4826","0.0005","13.2687","0.0003","108.996","0.003","97.316","0.003","109.909","0.004","1178.35","0.09","170","0.1","170","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C32 H30 O -","- C32 H30 O -","- C64 H60 O2 -","2","1","","Chen, Liangliang; Shangguan, Zhichun; Shi, Tianyu; Qin, Liyuan; Zeng, Yiyun; Zhu, Qingqiu; Chen, Jin; Liang, Junhong; Miao, Wentao; He, Yurong; Qiu, Xiaosong; Wang, Xunchang; Zhang, Deqing; Yang, Renqiang","Sterically controlled 5-exo-dig cyclization enables synthesis of non-benzenoid polycyclic aromatic hydrocarbons with intriguing (anti)aromaticity and diradical properties","Chemical Science","2026","","","","","10.1039/D6SC00121A","","x-ray","1.54184","CuKα","","0.087","0.07","","","0.1989","0.2173","","","","","","1.052","","","","has coordinates","305922","2026-05-11","22:12:18",""
"1577229","15.567","0.0004","13.0056","0.0002","18.0182","0.0004","90","","113.36","0.003","90","","3348.92","0.15","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C72 H66 Cl12 O2 -","- C72 H66 Cl12 O2 -","- C144 H132 Cl24 O4 -","2","0.5","","Chen, Liangliang; Shangguan, Zhichun; Shi, Tianyu; Qin, Liyuan; Zeng, Yiyun; Zhu, Qingqiu; Chen, Jin; Liang, Junhong; Miao, Wentao; He, Yurong; Qiu, Xiaosong; Wang, Xunchang; Zhang, Deqing; Yang, Renqiang","Sterically controlled 5-exo-dig cyclization enables synthesis of non-benzenoid polycyclic aromatic hydrocarbons with intriguing (anti)aromaticity and diradical properties","Chemical Science","2026","","","","","10.1039/D6SC00121A","","x-ray","1.54184","CuKα","","0.0708","0.0592","","","0.1579","0.1652","","","","","","1.063","","","","has coordinates","305922","2026-05-11","22:12:18",""
"1577230","5.6358","0.0003","12.7956","0.0006","12.9671","0.0005","97.392","0.004","93.846","0.004","97.333","0.004","916.43","0.08","170","0.3","170","0.3","","","","","","","","3","P -1","-P 1","2","","","","- C25 H22 O2 -","- C25 H22 O2 -","- C50 H44 O4 -","2","1","","Chen, Liangliang; Shangguan, Zhichun; Shi, Tianyu; Qin, Liyuan; Zeng, Yiyun; Zhu, Qingqiu; Chen, Jin; Liang, Junhong; Miao, Wentao; He, Yurong; Qiu, Xiaosong; Wang, Xunchang; Zhang, Deqing; Yang, Renqiang","Sterically controlled 5-exo-dig cyclization enables synthesis of non-benzenoid polycyclic aromatic hydrocarbons with intriguing (anti)aromaticity and diradical properties","Chemical Science","2026","","","","","10.1039/D6SC00121A","","x-ray","1.54184","CuKα","","0.0892","0.0762","","","0.213","0.2261","","","","","","1.089","","","","has coordinates","305922","2026-05-11","22:12:18",""
"1577231","10.8724","0.0001","10.8724","0.0001","48.5753","0.0007","90","","90","","90","","5742.04","0.11","291.8","0.7","291.8","0.7","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C33 H25 Cl F N2 O P -","- C31.08 H23.08 Cl F N2 O P -","- C248.64 H184.64 Cl8 F8 N16 O8 P8 -","8","1","","Jiating, Cai; Gao, Xinyu; Wang, Chuitian; Li, Yang; Tong, Xiaoxin; Li, Linzai; Qin, Shi; Yang, Mingkai; Li, Qixin; Wei, Wei; Ma, Lei; Wang, Mei; Liao, Si-Yan; Huang, Yugang; Zhao, Xin; Wang, Shengdong; Zhou, Zhi; Gao, Hui; Yi, Wei; Zeng, Zhongyi","A Unified Cobalt-Electrocatalytic Platform for Enantio- and Stereo-selective C−H and C−F Functionalization of gem-Difluoromethylene Allenes","Chemical Science","2026","","","","","10.1039/D6SC02228F","","x-ray","1.54184","CuKα","","0.0944","0.0924","","","0.2813","0.286","","","","","","1.215","","","","has coordinates,has disorder","305923","2026-05-11","22:12:43",""
"1577232","5.0331","0.00013","15.5907","0.0003","25.3876","0.0005","90","","90","","90","","1992.15","0.08","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H20 F N3 O -","- C26 H20 F N3 O -","- C104 H80 F4 N12 O4 -","4","1","","Jiating, Cai; Gao, Xinyu; Wang, Chuitian; Li, Yang; Tong, Xiaoxin; Li, Linzai; Qin, Shi; Yang, Mingkai; Li, Qixin; Wei, Wei; Ma, Lei; Wang, Mei; Liao, Si-Yan; Huang, Yugang; Zhao, Xin; Wang, Shengdong; Zhou, Zhi; Gao, Hui; Yi, Wei; Zeng, Zhongyi","A Unified Cobalt-Electrocatalytic Platform for Enantio- and Stereo-selective C−H and C−F Functionalization of gem-Difluoromethylene Allenes","Chemical Science","2026","","","","","10.1039/D6SC02228F","","x-ray","1.54184","CuKα","","0.0329","0.0301","","","0.0769","0.079","","","","","","1.041","","","","has coordinates","305923","2026-05-11","22:12:43",""
"1577233","10.0172","0.0004","9.2833","0.0004","12.6711","0.0005","90","","92.968","0.004","90","","1176.74","0.08","120.01","0.1","120.01","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H27 F N2 O2 -","- C30 H27 F N2 O2 -","- C60 H54 F2 N4 O4 -","2","1","","Jiating, Cai; Gao, Xinyu; Wang, Chuitian; Li, Yang; Tong, Xiaoxin; Li, Linzai; Qin, Shi; Yang, Mingkai; Li, Qixin; Wei, Wei; Ma, Lei; Wang, Mei; Liao, Si-Yan; Huang, Yugang; Zhao, Xin; Wang, Shengdong; Zhou, Zhi; Gao, Hui; Yi, Wei; Zeng, Zhongyi","A Unified Cobalt-Electrocatalytic Platform for Enantio- and Stereo-selective C−H and C−F Functionalization of gem-Difluoromethylene Allenes","Chemical Science","2026","","","","","10.1039/D6SC02228F","","x-ray","1.54184","CuKα","","0.0705","0.0623","","","0.1574","0.166","","","","","","1.008","","","","has coordinates","305923","2026-05-11","22:12:43",""
"1577234","5.4154","0.0005","9.8915","0.0008","24.1538","0.0019","90","","90","","90","","1293.83","0.19","299","2","299.4","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H16 O5 S -","- C11 H16 O5 S -","- C44 H64 O20 S4 -","4","1","","Wang, Xiao-Yue; Wang, Wei; Wei, Wang-Long; Ren, Wei-Min; Lu, Xiaobing; Zhou, Hui","Controlled Ring-Opening Polymerization of Xylose-derived Lactones towards Sustainable Polyesters","Polymer Chemistry","2026","","","","","10.1039/D6PY00323K","","","0.71073","MoKα","","0.0702","0.0405","","","0.0875","0.1019","","","","","","1.02","","","","has coordinates","305929","2026-05-12","01:21:08",""
"1577235","5.3176","0.0003","10.8139","0.0009","19.5994","0.0016","90","","90","","90","","1127.04","0.15","299","2","298.7","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H14 O5 S -","- C10 H14 O5 S -","- C40 H56 O20 S4 -","4","1","","Wang, Xiao-Yue; Wang, Wei; Wei, Wang-Long; Ren, Wei-Min; Lu, Xiaobing; Zhou, Hui","Controlled Ring-Opening Polymerization of Xylose-derived Lactones towards Sustainable Polyesters","Polymer Chemistry","2026","","","","","10.1039/D6PY00323K","","","0.71073","MoKα","","0.0474","0.0353","","","0.0736","0.0797","","","","","","1.039","","","","has coordinates","305929","2026-05-12","01:21:08",""
"1577236","5.3165","0.0002","10.8068","0.0006","19.5856","0.0012","90","","90","","90","","1125.28","0.1","301.4","","301.4","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H14 O5 S -","- C10 H14 O5 S -","- C40 H56 O20 S4 -","4","1","","Wang, Xiao-Yue; Wang, Wei; Wei, Wang-Long; Ren, Wei-Min; Lu, Xiaobing; Zhou, Hui","Controlled Ring-Opening Polymerization of Xylose-derived Lactones towards Sustainable Polyesters","Polymer Chemistry","2026","","","","","10.1039/D6PY00323K","","","0.71073","MoKα","","0.0633","0.0401","","","0.0723","0.0817","","","","","","1.032","","","","has coordinates","305929","2026-05-12","01:21:08",""
"1577237","12.5091","0.0006","16.5705","0.0008","18.5967","0.0009","90","","90","","90","","3854.8","0.3","193","2","193","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C33 H45 Au Cl2 F6 N3 Sb -","- C33 H45 Au Cl2 F6 N3 Sb -","- C132 H180 Au4 Cl8 F24 N12 Sb4 -","4","1","","Ravera, Francesco; Bortoli, Alessandro; Gamboa-Carballo, Juan José; Mallet-Ladeira, Sonia; Miqueu, Karinne; Bourissou, Didier; Biffis, Andrea","Activation of Isocyanates at Gold: Towards Au-Catalyzed C-H Amidation of Pyrroles","Catalysis Science & Technology","2026","","","","","10.1039/D6CY00297H","","","1.54178","CuKα","","0.0372","0.0365","","","0.0979","0.0986","","","","","","1.043","","","","has coordinates,has disorder","305934","2026-05-12","21:40:29",""
"1577238","13.591","0.0012","15.8938","0.0014","17.5237","0.0015","100.293","0.002","92.957","0.002","92.041","0.002","3715.6","0.6","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C48 H42 B N3 -","- C48 H42 B N3 -","- C192 H168 B4 N12 -","4","2","","Li, Gaoyu; Wang, Yuyuan; Wu, Bo; Bian, Jinkun; Xie, Haozhi; Ma, Zhiwei; Dai, Hui; Yang, Zhan; Ge, Xiangyu; Chi, Zhenguo","Methyl-Induced Ring-Locking Strategy for Concentration-Independent MR-TADF Emitters toward High-Performance OLEDs with BT. 2020 Blue Gamut","Chemical Science","2026","","","","","10.1039/D6SC02303G","","","1.34138","GaKα","","0.046","0.0432","","","0.1121","0.1143","","","","","","1.06","","","","has coordinates","305938","2026-05-12","22:11:29",""
"1577239","12.4268","0.0009","13.5526","0.0009","14.4898","0.001","93.589","0.002","93.387","0.002","106.748","0.002","2324.6","0.3","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C55.25 H56.5 B Cl2.5 N3 -","- C55.25 H56.5 B Cl2.5 N3 -","- C110.5 H113 B2 Cl5 N6 -","2","1","","Li, Gaoyu; Wang, Yuyuan; Wu, Bo; Bian, Jinkun; Xie, Haozhi; Ma, Zhiwei; Dai, Hui; Yang, Zhan; Ge, Xiangyu; Chi, Zhenguo","Methyl-Induced Ring-Locking Strategy for Concentration-Independent MR-TADF Emitters toward High-Performance OLEDs with BT. 2020 Blue Gamut","Chemical Science","2026","","","","","10.1039/D6SC02303G","","","1.34138","GaKα","","0.1019","0.0965","","","0.3331","0.3454","","","","","","1.659","","","","has coordinates,has disorder","305938","2026-05-12","22:11:29",""
"1577240","17.6559","0.0001","17.6559","0.0001","13.7028","0.0001","90","","90","","90","","4271.58","0.05","149.99","0.1","149.99","0.1","","","","","","","","4","P 41","P 4w","76","","","","- C54 H55 B N3 -","- C54 H55 B N3 -","- C216 H220 B4 N12 -","4","1","","Li, Gaoyu; Wang, Yuyuan; Wu, Bo; Bian, Jinkun; Xie, Haozhi; Ma, Zhiwei; Dai, Hui; Yang, Zhan; Ge, Xiangyu; Chi, Zhenguo","Methyl-Induced Ring-Locking Strategy for Concentration-Independent MR-TADF Emitters toward High-Performance OLEDs with BT. 2020 Blue Gamut","Chemical Science","2026","","","","","10.1039/D6SC02303G","","x-ray","1.54184","CuKα","","0.0582","0.0563","","","0.1493","0.1528","","","","","","1.046","","","","has coordinates,has disorder","305938","2026-05-12","22:11:29",""
"1577241","7.50047","0.00006","16.40122","0.00011","16.58919","0.00013","90","","90","","90","","2040.75","0.03","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H24 O6 -","- C24 H24 O6 -","- C96 H96 O24 -","4","1","","Biosca, Maria; De La Cruz-Sánchez, Pol; Faiges, Jorge; Maestro, Aitor; Kappe, C. Oliver; Ötvös, Sándor B.; Pericas, Miquel A.; Pamies, Oscar; Diéguez, Montserrat","Mastering the Potential of Well-defined ML 1 L 2 Species in Asymmetric Catalysis through Ligand Immobilization (ML het L hom ). Use in Highly Enantioselective Pd-catalyzed Spiroannulation","Chemical Science","2026","","","","","10.1039/D6SC01392A","","","0.71075","MoKα","","0.0298","0.0269","","","0.0703","0.0728","","","","","","0.654","","","","has coordinates","305939","2026-05-12","22:11:44",""
"1577242","6.69025","0.00008","10.33358","0.00013","25.2815","0.0004","90","","90","","90","","1747.82","0.04","99.9","0.4","99.9","0.4","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H22 O5 -","- C21 H22 O5 -","- C84 H88 O20 -","4","1","","Biosca, Maria; De La Cruz-Sánchez, Pol; Faiges, Jorge; Maestro, Aitor; Kappe, C. Oliver; Ötvös, Sándor B.; Pericas, Miquel A.; Pamies, Oscar; Diéguez, Montserrat","Mastering the Potential of Well-defined ML 1 L 2 Species in Asymmetric Catalysis through Ligand Immobilization (ML het L hom ). Use in Highly Enantioselective Pd-catalyzed Spiroannulation","Chemical Science","2026","","","","","10.1039/D6SC01392A","","x-ray","0.71073","MoKα","","0.0723","0.0405","","","0.0945","0.1079","","","","","","1.022","","","","has coordinates","305939","2026-05-12","22:11:44",""
"1577243","7.83692","0.00003","12.51912","0.00004","16.8391","0.00005","90","","90","","90","","1652.11","0.01","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 O2 -","- C20 H24 O2 -","- C80 H96 O8 -","4","1","","Macleod, Julie; Nimmo, Alastair; Cockcroft, Joseph; Dominguez-Molano, Paula; Nichol, Gary Stephen; Thomas, Stephen P.","Stereoselective, Borane-catalysed Synthesis of syn-β-Hydroxyketones from α,β-Unsaturated Ketones","Chemical Science","2026","","","","","10.1039/D6SC03052A","","x-ray","1.54184","CuKα","","0.0068","0.0067","","","0.0161","0.0161","","","","","","1.7886","","","","has coordinates","305940","2026-05-12","22:12:29",""
"1577244","18.72992","0.00014","7.65685","0.00004","20.61406","0.00015","90","","116.171","0.0009","90","","2653.22","0.04","100.01","0.1","100.01","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C58.18 H95.26 O9.45 -","- C58.164 H95.246 O9.459 -","- C116.328 H190.492 O18.918 -","2","1","","Macleod, Julie; Nimmo, Alastair; Cockcroft, Joseph; Dominguez-Molano, Paula; Nichol, Gary Stephen; Thomas, Stephen P.","Stereoselective, Borane-catalysed Synthesis of syn-β-Hydroxyketones from α,β-Unsaturated Ketones","Chemical Science","2026","","","","","10.1039/D6SC03052A","","x-ray","1.54184","CuKα","","0.0486","0.0476","","","0.1353","0.1366","","","","","","1.059","","","","has coordinates,has disorder","305940","2026-05-12","22:12:29",""
"1577245","3.90541","0.00002","3.90541","0.00002","3.90541","0.00002","90","","90","","90","","59.5662","0.0005","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","Cubic","","","- O3 Sr Ti -","- O1.5 Sr0.5 Ti0.5 -","- O3 Sr Ti -","2","0.0416667","","Namade, Lahu D.; Patil, Amitkumar R.; Bodake, Tejas R.; Mohite, Santosh V.; Dongale, Tukaram D.; Sutar,Santosh S.; Kim, Yeonho.; Rajpure, Keshav Y.","Electroforming−free resistive switching in spray−deposited SrTiO3 thin films with time series analysis for memory devices","Materials Research Bulletin","2026","202","","","","10.1016/j.materresbull.2026.114197","","","","","","","","","","","","","","","","","","","","","has coordinates","305954","2026-05-13","07:25:21",""
"1577246","15.5303","0.0015","15.5303","0.0015","15.5303","0.0015","90","","90","","90","","3745.8","0.6","293","","293","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- P20 Se Si12 Sr7 -","- P20 Se Si12 Sr7 -","- P80 Se4 Si48 Sr28 -","4","0.0208333","","Jiang, Huikang; Ye, Ning; Peng, Guang; Chen, Jindong","A[A6Ch][Si12P20] (A = Sr, Ba; Ch = S, Se, Te): Achieving Wide Band Gap of Pnictides by Constructing [A6Ch] octahedral ionic units","Chemical Science","2026","","","","","10.1039/D6SC00313C","","","0.71073","MoKα","","0.0487","0.0309","","","0.0734","0.0794","","","","","","1.157","","","","has coordinates","305958","2026-05-13","22:24:00",""
"1577247","15.5813","0.0005","15.5813","0.0005","15.5813","0.0005","90","","90","","90","","3782.8","0.2","293","","293","","","","","","","","","5","F -4 3 m","F -4 2 3","216","","","","- Ba3 P20 Se Si12 Sr4 -","- Ba2.9998 P20 Se Si12 Sr4.0002 -","- Ba11.9992 P80 Se4 Si48 Sr16.0008 -","4","0.0416667","","Jiang, Huikang; Ye, Ning; Peng, Guang; Chen, Jindong","A[A6Ch][Si12P20] (A = Sr, Ba; Ch = S, Se, Te): Achieving Wide Band Gap of Pnictides by Constructing [A6Ch] octahedral ionic units","Chemical Science","2026","","","","","10.1039/D6SC00313C","","","0.71073","MoKα","","0.0179","0.0171","","","0.04","0.0402","","","","","","1.182","","","","has coordinates,has disorder","305958","2026-05-13","22:24:00",""
"1577248","15.701","","15.701","","15.701","","90","","90","","90","","3870.63","","293","","293","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- Ba7 P20 S Si12 -","- Ba7 P20 S Si12 -","- Ba28 P80 S4 Si48 -","4","0.0208333","","Jiang, Huikang; Ye, Ning; Peng, Guang; Chen, Jindong","A[A6Ch][Si12P20] (A = Sr, Ba; Ch = S, Se, Te): Achieving Wide Band Gap of Pnictides by Constructing [A6Ch] octahedral ionic units","Chemical Science","2026","","","","","10.1039/D6SC00313C","","","0.71073","MoKα","","0.0111","0.011","","","0.0228","0.0228","","","","","","1.191","","","","has coordinates","305958","2026-05-13","22:24:00",""
"1577249","15.6412","0.0004","15.6412","0.0004","15.6412","0.0004","90","","90","","90","","3826.57","0.17","293","","293","","","","","","","","","5","F -4 3 m","F -4 2 3","216","","","","- Ba3 P20 Si12 Sr4 Te -","- Ba2.9998 P20 Si12 Sr4.0002 Te -","- Ba11.9992 P80 Si48 Sr16.0008 Te4 -","4","0.0416667","","Jiang, Huikang; Ye, Ning; Peng, Guang; Chen, Jindong","A[A6Ch][Si12P20] (A = Sr, Ba; Ch = S, Se, Te): Achieving Wide Band Gap of Pnictides by Constructing [A6Ch] octahedral ionic units","Chemical Science","2026","","","","","10.1039/D6SC00313C","","","0.71073","MoKα","","0.0186","0.0168","","","0.0413","0.0421","","","","","","1.105","","","","has coordinates,has disorder","305958","2026-05-13","22:24:00",""
"1577250","15.5666","0.0006","15.5666","0.0006","15.5666","0.0006","90","","90","","90","","3772.1","0.3","293","","293","","","","","","","","","5","F -4 3 m","F -4 2 3","216","","","","- Ba3 P20 S Si12 Sr4 -","- Ba2.9998 P20 S Si12 Sr4.0002 -","- Ba11.9992 P80 S4 Si48 Sr16.0008 -","4","0.0416667","","Jiang, Huikang; Ye, Ning; Peng, Guang; Chen, Jindong","A[A6Ch][Si12P20] (A = Sr, Ba; Ch = S, Se, Te): Achieving Wide Band Gap of Pnictides by Constructing [A6Ch] octahedral ionic units","Chemical Science","2026","","","","","10.1039/D6SC00313C","","","0.71073","MoKα","","0.0387","0.0328","","","0.0705","0.0726","","","","","","1.059","","","","has coordinates,has disorder","305958","2026-05-13","22:24:00",""
"1577251","15.7503","0.0006","15.7503","0.0006","15.7503","0.0006","90","","90","","90","","3907.2","0.3","293","","293","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- Ba7 P20 Se Si12 -","- Ba7 P20 Se Si12 -","- Ba28 P80 Se4 Si48 -","4","0.0208333","","Jiang, Huikang; Ye, Ning; Peng, Guang; Chen, Jindong","A[A6Ch][Si12P20] (A = Sr, Ba; Ch = S, Se, Te): Achieving Wide Band Gap of Pnictides by Constructing [A6Ch] octahedral ionic units","Chemical Science","2026","","","","","10.1039/D6SC00313C","","","0.71073","MoKα","","0.0248","0.0239","","","0.0471","0.0472","","","","","","1.201","","","","has coordinates","305958","2026-05-13","22:24:00",""
"1577252","15.826","","15.826","","15.826","","90","","90","","90","","3963.82","","293","","293","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- Ba7 P20 Si12 Te -","- Ba7 P20 Si12 Te -","- Ba28 P80 Si48 Te4 -","4","0.0208333","","Jiang, Huikang; Ye, Ning; Peng, Guang; Chen, Jindong","A[A6Ch][Si12P20] (A = Sr, Ba; Ch = S, Se, Te): Achieving Wide Band Gap of Pnictides by Constructing [A6Ch] octahedral ionic units","Chemical Science","2026","","","","","10.1039/D6SC00313C","","","0.71073","MoKα","","0.0151","0.014","","","0.0327","0.0331","","","","","","1.065","","","","has coordinates","305958","2026-05-13","22:24:00",""
"1577253","15.6033","0.0006","15.6033","0.0006","15.6033","0.0006","90","","90","","90","","3798.8","0.3","293","","293","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- P20 Si12 Sr7 Te -","- P20 Si12 Sr7 Te -","- P80 Si48 Sr28 Te4 -","4","0.0208333","","Jiang, Huikang; Ye, Ning; Peng, Guang; Chen, Jindong","A[A6Ch][Si12P20] (A = Sr, Ba; Ch = S, Se, Te): Achieving Wide Band Gap of Pnictides by Constructing [A6Ch] octahedral ionic units","Chemical Science","2026","","","","","10.1039/D6SC00313C","","","0.71073","MoKα","","0.0261","0.0179","","","0.0357","0.0375","","","","","","1.0346","","","","has coordinates","305958","2026-05-13","22:24:00",""
"1577254","11.9288","0.0004","5.3945","0.0002","11.9826","0.0005","90","","110.504","0.003","90","","722.23","0.05","240","","240","","","","","","","","","3","P 1 n 1","P -2yac","7","","7-oxabicyclo(2.2.1)-5-heptene-2,3-dicarboxylic anhydride cocrystal","","- C16 H12 O8 -","- C16 H12 O8 -","- C32 H24 O16 -","2","1","","Lennox, Cameron B.; Taylor, Christopher; Huskić, Igor; Vainauskas, Jogirdas; Nickels, Christopher; Stein, Robin S.; Borchers, Tristan H.; Lutton Gething, A.R. Bonnie J.; Marrett, Joseph M.; Day, Graeme Matthew; Friščić, Tomislav","The elusive endo-product of the archetypal Diels-Alder reaction of furan and maleic anhydride – observed in the solid state at last","Chemical Science","2026","","","","","10.1039/D5SC06724C","","","1.54178","CuKα","","0.1039","0.0566","","","0.1374","0.1771","","","","","","1.056","","","","has coordinates","305959","2026-05-13","22:24:51",""
"1577255","11.2483","0.0003","5.6878","0.0001","11.3895","0.0003","90","","103.884","0.001","90","","707.39","0.03","250","2","250","","","","1013","","","","","3","P 1 21/c 1","-P 2ybc","14","","endo-7-oxabicyclo(2.2.1)-5-heptene-2,3-dicarboxylic anhydride","","- C8 H6 O4 -","- C8 H6 O4 -","- C32 H24 O16 -","4","1","","Lennox, Cameron B.; Taylor, Christopher; Huskić, Igor; Vainauskas, Jogirdas; Nickels, Christopher; Stein, Robin S.; Borchers, Tristan H.; Lutton Gething, A.R. Bonnie J.; Marrett, Joseph M.; Day, Graeme Matthew; Friščić, Tomislav","The elusive endo-product of the archetypal Diels-Alder reaction of furan and maleic anhydride – observed in the solid state at last","Chemical Science","2026","","","","","10.1039/D5SC06724C","","x-ray","1.54178","CuKα","","0.0404","0.038","","","0.0928","0.0949","","","","","","1.09","","","","has coordinates","305959","2026-05-13","22:24:51",""
"1577256","11.1987","0.0006","5.6558","0.0003","11.3247","0.0006","90","","103.949","0.002","90","","696.13","0.06","150","2","150","2","","","1013","","","","","3","P 1 21/c 1","-P 2ybc","14","","endo-7-oxabicyclo(2.2.1)-5-heptene-2,3-dicarboxylic anhydride","","- C8 H6 O4 -","- C8 H6 O4 -","- C32 H24 O16 -","4","1","","Lennox, Cameron B.; Taylor, Christopher; Huskić, Igor; Vainauskas, Jogirdas; Nickels, Christopher; Stein, Robin S.; Borchers, Tristan H.; Lutton Gething, A.R. Bonnie J.; Marrett, Joseph M.; Day, Graeme Matthew; Friščić, Tomislav","The elusive endo-product of the archetypal Diels-Alder reaction of furan and maleic anhydride – observed in the solid state at last","Chemical Science","2026","","","","","10.1039/D5SC06724C","","x-ray","1.54178","CuKα","","0.0679","0.0647","","","0.1823","0.1882","","","","","","1.107","","","","has coordinates","305959","2026-05-13","22:24:51",""
"1577257","11.1845","0.0009","5.642","0.0004","11.2971","0.0009","90","","104.169","0.004","90","","691.19","0.09","100","2","100","2","","","1013","","","","","3","P 1 21/c 1","-P 2ybc","14","","endo-7-oxabicyclo(2.2.1)-5-heptene-2,3-dicarboxylic anhydride","","- C8 H6 O4 -","- C8 H6 O4 -","- C32 H24 O16 -","4","1","","Lennox, Cameron B.; Taylor, Christopher; Huskić, Igor; Vainauskas, Jogirdas; Nickels, Christopher; Stein, Robin S.; Borchers, Tristan H.; Lutton Gething, A.R. Bonnie J.; Marrett, Joseph M.; Day, Graeme Matthew; Friščić, Tomislav","The elusive endo-product of the archetypal Diels-Alder reaction of furan and maleic anhydride – observed in the solid state at last","Chemical Science","2026","","","","","10.1039/D5SC06724C","","x-ray","1.54178","CuKα","","0.0738","0.0714","","","0.2019","0.2072","","","","","","1.119","","","","has coordinates","305959","2026-05-13","22:24:51",""
"1577258","11.2763","0.0006","5.7097","0.0003","11.4279","0.0006","90","","103.881","0.003","90","","714.29","0.07","298","2","298","2","","","1013","","","","","3","P 1 21/c 1","-P 2ybc","14","","endo-7-oxabicyclo(2.2.1)-5-heptene-2,3-dicarboxylic anhydride","","- C8 H6 O4 -","- C8 H6 O4 -","- C32 H24 O16 -","4","1","","Lennox, Cameron B.; Taylor, Christopher; Huskić, Igor; Vainauskas, Jogirdas; Nickels, Christopher; Stein, Robin S.; Borchers, Tristan H.; Lutton Gething, A.R. Bonnie J.; Marrett, Joseph M.; Day, Graeme Matthew; Friščić, Tomislav","The elusive endo-product of the archetypal Diels-Alder reaction of furan and maleic anhydride – observed in the solid state at last","Chemical Science","2026","","","","","10.1039/D5SC06724C","","x-ray","1.54178","CuKα","","0.0582","0.0464","","","0.1234","0.1377","","","","","","1.029","","","","has coordinates","305959","2026-05-13","22:24:51",""
"1577259","11.8895","0.0013","5.3562","0.0004","11.8978","0.0013","90","","110.247","0.012","90","","710.86","0.13","150","0.1","150","0.1","","","","","","","","3","P 1 n 1","P -2yac","7","","","","- C16 H12 O8 -","- C16 H12 O8 -","- C32 H24 O16 -","2","1","","Lennox, Cameron B.; Taylor, Christopher; Huskić, Igor; Vainauskas, Jogirdas; Nickels, Christopher; Stein, Robin S.; Borchers, Tristan H.; Lutton Gething, A.R. Bonnie J.; Marrett, Joseph M.; Day, Graeme Matthew; Friščić, Tomislav","The elusive endo-product of the archetypal Diels-Alder reaction of furan and maleic anhydride – observed in the solid state at last","Chemical Science","2026","","","","","10.1039/D5SC06724C","","x-ray","1.54184","CuKα","","0.0509","0.0459","","","0.1065","0.1123","","","","","","1.099","","","","has coordinates","305959","2026-05-13","22:24:51",""
"1577260","11.9547","0.0005","5.4149","0.0002","12.0064","0.0005","90","","110.6","0.002","90","","727.52","0.05","298","2","298","2","","","1013","","","","","3","P 1 n 1","P -2yac","7","","7-oxabicyclo(2.2.1)-5-heptene-2,3-dicarboxylic anhydride cocrystal","","- C16 H12 O8 -","- C16 H12 O8 -","- C32 H24 O16 -","2","1","","Lennox, Cameron B.; Taylor, Christopher; Huskić, Igor; Vainauskas, Jogirdas; Nickels, Christopher; Stein, Robin S.; Borchers, Tristan H.; Lutton Gething, A.R. Bonnie J.; Marrett, Joseph M.; Day, Graeme Matthew; Friščić, Tomislav","The elusive endo-product of the archetypal Diels-Alder reaction of furan and maleic anhydride – observed in the solid state at last","Chemical Science","2026","","","","","10.1039/D5SC06724C","","x-ray","1.54178","CuKα","","0.096","0.0448","","","0.1199","0.1627","","","","","","1.149","","","","has coordinates","305959","2026-05-13","22:24:51",""
"1577261","11.199","0.0016","5.4807","0.0009","14.732","0.002","90","","104.639","0.015","90","","874.9","0.2","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H16 O9 -","- C20 H16 O9 -","- C40 H32 O18 -","2","0.5","","Lennox, Cameron B.; Taylor, Christopher; Huskić, Igor; Vainauskas, Jogirdas; Nickels, Christopher; Stein, Robin S.; Borchers, Tristan H.; Lutton Gething, A.R. Bonnie J.; Marrett, Joseph M.; Day, Graeme Matthew; Friščić, Tomislav","The elusive endo-product of the archetypal Diels-Alder reaction of furan and maleic anhydride – observed in the solid state at last","Chemical Science","2026","","","","","10.1039/D5SC06724C","","","1.54184","CuKα","","0.1017","0.0765","","","0.1757","0.1921","","","","","","1.097","","","","has coordinates,has disorder","305959","2026-05-13","22:24:51",""
"1577262","11.2298","0.0004","5.675","0.0002","11.3656","0.0004","90","","103.903","0.001","90","","703.1","0.04","200","2","200","","","","1013","","","","","3","P 1 21/c 1","-P 2ybc","14","","endo-7-oxabicyclo(2.2.1)-5-heptene-2,3-dicarboxylic anhydride","","- C8 H6 O4 -","- C8 H6 O4 -","- C32 H24 O16 -","4","1","","Lennox, Cameron B.; Taylor, Christopher; Huskić, Igor; Vainauskas, Jogirdas; Nickels, Christopher; Stein, Robin S.; Borchers, Tristan H.; Lutton Gething, A.R. Bonnie J.; Marrett, Joseph M.; Day, Graeme Matthew; Friščić, Tomislav","The elusive endo-product of the archetypal Diels-Alder reaction of furan and maleic anhydride – observed in the solid state at last","Chemical Science","2026","","","","","10.1039/D5SC06724C","","x-ray","1.54178","CuKα","","0.0413","0.0384","","","0.0892","0.0914","","","","","","1.054","","","","has coordinates","305959","2026-05-13","22:24:51",""
"1577263","11.9141","0.0014","5.3741","0.0004","11.9214","0.0014","90","","110.4","0.013","90","","715.43","0.14","199.99","0.1","199.99","0.1","","","","","","","","3","P 1 n 1","P -2yac","7","","","","- C16 H12 O8 -","- C16 H12 O8 -","- C32 H24 O16 -","2","1","","Lennox, Cameron B.; Taylor, Christopher; Huskić, Igor; Vainauskas, Jogirdas; Nickels, Christopher; Stein, Robin S.; Borchers, Tristan H.; Lutton Gething, A.R. Bonnie J.; Marrett, Joseph M.; Day, Graeme Matthew; Friščić, Tomislav","The elusive endo-product of the archetypal Diels-Alder reaction of furan and maleic anhydride – observed in the solid state at last","Chemical Science","2026","","","","","10.1039/D5SC06724C","","x-ray","1.54184","CuKα","","0.0525","0.046","","","0.1118","0.1208","","","","","","1.057","","","","has coordinates","305959","2026-05-13","22:24:51",""
"1577264","17.6335","0.0002","14.1547","0.0002","20.4989","0.0002","90","","94.747","0.001","90","","5098.91","0.11","180","0.1","180","0.1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C27 H29 F6 N2 O2 P -","- C27 H29 F6 N2 O2 P -","- C216 H232 F48 N16 O16 P8 -","8","1","","Gaucherand, Arthur; Duwald, Romain; Herse, Christelle; Besnard, Céline; Pescitelli, Gennaro; Lacour, Jérôme","Skeletal rearrangement of [4]helicenes under acidic conditions: dynamic chirality and improved properties by subsequent peripheral editing.","Chemical science","2026","17","21","10422","10433","10.1039/d6sc03190k","","x-ray","1.54184","CuKα","","0.0441","0.0395","","","0.1107","0.116","","","","","","1.053","","","","has coordinates,has disorder","306354","2026-06-05","18:40:51",""
"1577265","23.5293","0.0005","13.6598","0.0003","15.2276","0.0004","90","","99.633","0.002","90","","4825.2","0.2","120","0.1","120","0.1","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C27 H29.5 B F4 N2 O2.25 -","- C27 H29.5 B F4 N2 O2.25 -","- C216 H236 B8 F32 N16 O18 -","8","4","","Gaucherand, Arthur; Duwald, Romain; Herse, Christelle; Besnard, Céline; Pescitelli, Gennaro; Lacour, Jérôme","Skeletal rearrangement of [4]helicenes under acidic conditions: dynamic chirality and improved properties by subsequent peripheral editing.","Chemical science","2026","17","21","10422","10433","10.1039/d6sc03190k","","x-ray","1.54184","CuKα","","0.0859","0.0523","","","0.1161","0.1327","","","","","","1.02","","","","has coordinates","306354","2026-06-05","18:40:51",""
"1577266","8.2615","0.0003","8.3062","0.0002","15.5606","0.0005","92.22","0.001","97.44","0.001","110.344","0.001","988.72","0.05","250","2","250","2","","","","","","","","6","P -1","-P 1","2","AU-120_am_250K","","","- C20 H25 Cl Ir N O4 -","- C20 H25 Cl Ir N O4 -","- C40 H50 Cl2 Ir2 N2 O8 -","2","1","","Uroz, Andrea; Blanco, Laura; Díaz-Tendero, Sergio; Feberero, Claudia; Collado, Alba; Cabrera, Silvia; Aleman, Jose","Substrate‑Driven Iridium Photocatalysts Enable Diastereoselective Dearomative Polyoxygenation of Hydroxyquinolines","Chemical Science","2026","","","","","10.1039/D6SC01835A","","","0.71073","MoKα","","0.0316","0.0235","","","0.0672","0.1028","","","","","","1.054","","","","has coordinates","305972","2026-05-15","22:10:49",""
"1577267","14.8506","0.0005","15.3649","0.0007","17.0306","0.0006","90","","90","","90","","3886","0.3","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","AU-234","","","- C19 H21 Cl Ir N O4 -","- C19 H21 Cl Ir N O4 -","- C152 H168 Cl8 Ir8 N8 O32 -","8","1","","Uroz, Andrea; Blanco, Laura; Díaz-Tendero, Sergio; Feberero, Claudia; Collado, Alba; Cabrera, Silvia; Aleman, Jose","Substrate‑Driven Iridium Photocatalysts Enable Diastereoselective Dearomative Polyoxygenation of Hydroxyquinolines","Chemical Science","2026","","","","","10.1039/D6SC01835A","","x-ray","0.71073","MoKα","","0.0474","0.0252","","","0.0556","0.0629","","","","","","1.036","","","","has coordinates","305972","2026-05-15","22:10:49",""
"1577268","11.8303","0.0001","11.6192","0.0001","18.9685","0.0001","90","","94.874","0.001","90","","2597.96","0.03","250","0.1","250","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H31 Cl3 Ir N O4 -","- C23 H31 Cl3 Ir N O4 -","- C92 H124 Cl12 Ir4 N4 O16 -","4","1","","Uroz, Andrea; Blanco, Laura; Díaz-Tendero, Sergio; Feberero, Claudia; Collado, Alba; Cabrera, Silvia; Aleman, Jose","Substrate‑Driven Iridium Photocatalysts Enable Diastereoselective Dearomative Polyoxygenation of Hydroxyquinolines","Chemical Science","2026","","","","","10.1039/D6SC01835A","","x-ray","1.54184","CuKα","","0.024","0.0238","","","0.0583","0.0584","","","","","","1.103","","","","has coordinates","305972","2026-05-15","22:10:49",""
"1577269","8.4047","0.0004","15.4037","0.0008","16.1333","0.001","90","","98.707","0.005","90","","2064.6","0.2","296.3","","296.3","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H27 Cl Ir N O -","- C22 H27 Cl Ir N O -","- C88 H108 Cl4 Ir4 N4 O4 -","4","1","","Uroz, Andrea; Blanco, Laura; Díaz-Tendero, Sergio; Feberero, Claudia; Collado, Alba; Cabrera, Silvia; Aleman, Jose","Substrate‑Driven Iridium Photocatalysts Enable Diastereoselective Dearomative Polyoxygenation of Hydroxyquinolines","Chemical Science","2026","","","","","10.1039/D6SC01835A","","x-ray","0.71073","MoKα","","0.0504","0.0283","","","0.0483","0.052","","","","","","1.02","","","","has coordinates","305972","2026-05-15","22:10:49",""
"1577270","14.6976","0.0005","10.0918","0.0003","17.0571","0.0006","90","","93.1168","0.0013","90","","2526.26","0.14","250","2","250","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","AU-144_250K","","","- C21.75 H28.5 Cl2.5 Ir N O4 -","- C21.75 H28.5 Cl2.5 Ir N O4 -","- C87 H114 Cl10 Ir4 N4 O16 -","4","1","","Uroz, Andrea; Blanco, Laura; Díaz-Tendero, Sergio; Feberero, Claudia; Collado, Alba; Cabrera, Silvia; Aleman, Jose","Substrate‑Driven Iridium Photocatalysts Enable Diastereoselective Dearomative Polyoxygenation of Hydroxyquinolines","Chemical Science","2026","","","","","10.1039/D6SC01835A","","","0.71073","MoKα","","0.0396","0.0296","","","0.0764","0.0826","","","","","","1.068","","","","has coordinates,has disorder","305972","2026-05-15","22:10:49",""
"1577271","29.4514","0.001","22.7927","0.0007","36.9556","0.001","90","","111.077","0.003","90","","23147.8","1.3","296","","296","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Eu4Ti9-H","","- C177 H144 Eu4 F60 O69 Ti9 -","- C168 H108 Eu4 F60 O60 Ti9 -","- C672 H432 Eu16 F240 O240 Ti36 -","4","0.5","","Li, Tingting; Wu, Yaoqin; Jiang, Feng; Zhu, Haifeng; He, Shengrong; Sui, Jiyu; Zhang, Cong; Wu, Zhennan; Bai, Xue","Enhancing the Quantum Yield of Lanthanide Clusters via Single-Site Ligand Modulation","Nanoscale","2026","","","","","10.1039/D5NR05445A","","x-ray","1.54184","CuKα","","0.2024","0.0918","","","0.2536","0.317","","","","","","1.063","","","","has coordinates,has disorder","305976","2026-05-16","00:32:58",""
"1577272","19.3775","0.0018","21.28","0.002","28.197","0.002","90","","90.647","0.003","90","","11626.4","1.7","120","2","120","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","Eu4Ti9-P","","- C214 H154 Eu4 F60 N4 O62 P2 Ti9 -","- C214 H154 Eu4 F60 N4 O62 P2 Ti9 -","- C428 H308 Eu8 F120 N8 O124 P4 Ti18 -","2","0.5","","Li, Tingting; Wu, Yaoqin; Jiang, Feng; Zhu, Haifeng; He, Shengrong; Sui, Jiyu; Zhang, Cong; Wu, Zhennan; Bai, Xue","Enhancing the Quantum Yield of Lanthanide Clusters via Single-Site Ligand Modulation","Nanoscale","2026","","","","","10.1039/D5NR05445A","","x-ray","0.71073","MoKα","","0.0481","0.0329","","","0.0769","0.0892","","","","","","1.122","","","","has coordinates,has disorder","305976","2026-05-16","00:32:58",""
"1577273","20.119","0.003","19.255","0.004","29.1","0.005","90","","90.472","0.005","90","","11273","3","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C65.5 H63 B Cl3 N3 O -","- C65.5 H63 B Cl3 N3 O -","- C524 H504 B8 Cl24 N24 O8 -","8","2","","Gan, Xiangqin; Chen, Bitian; Li, Jia-Qi; Si, Han; Sun, Ning; Meng, Guoyun; Chen, Xian-Kai; Ding, Liming; Lu, Zheng-Hong; Ding, Junqiao","Dynamic pendulum strategy enables both anti-quenching and fast spin flipping for efficient blue multiple-resonance thermally activated delayed fluorescence emitters","Chemical Science","2026","","","","","10.1039/D6SC02881K","","x-ray","0.71073","MoKα","","0.209","0.1324","","","0.2235","0.2607","","","","","","1.112","","","","has coordinates,has disorder","305985","2026-05-18","22:11:53",""
"1577274","10.6441","0.0005","15.4789","0.0009","30.8095","0.0015","78.207","0.002","84.87","0.002","78.151","0.002","4857.1","0.4","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C64 H60 B N3 O -","- C64 H60 B N3 O -","- C256 H240 B4 N12 O4 -","4","2","","Gan, Xiangqin; Chen, Bitian; Li, Jia-Qi; Si, Han; Sun, Ning; Meng, Guoyun; Chen, Xian-Kai; Ding, Liming; Lu, Zheng-Hong; Ding, Junqiao","Dynamic pendulum strategy enables both anti-quenching and fast spin flipping for efficient blue multiple-resonance thermally activated delayed fluorescence emitters","Chemical Science","2026","","","","","10.1039/D6SC02881K","","x-ray","0.71073","MoKα","","0.1249","0.0737","","","0.1372","0.1626","","","","","","1.074","","","","has coordinates,has disorder","305985","2026-05-18","22:11:53",""
"1577275","11.6956","0.0009","16.0762","0.0011","16.1928","0.0012","89.239","0.002","88.028","0.002","77.334","0.002","2968.7","0.4","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C67 H66 B N3 O -","- C67 H66 B N3 O -","- C134 H132 B2 N6 O2 -","2","1","","Gan, Xiangqin; Chen, Bitian; Li, Jia-Qi; Si, Han; Sun, Ning; Meng, Guoyun; Chen, Xian-Kai; Ding, Liming; Lu, Zheng-Hong; Ding, Junqiao","Dynamic pendulum strategy enables both anti-quenching and fast spin flipping for efficient blue multiple-resonance thermally activated delayed fluorescence emitters","Chemical Science","2026","","","","","10.1039/D6SC02881K","","x-ray","0.71073","MoKα","","0.1478","0.0882","","","0.1869","0.2176","","","","","","1.048","","","","has coordinates","305985","2026-05-18","22:11:53",""
"1577276","15.6974","0.0002","22.9741","0.0004","23.8925","0.0003","107.055","0.001","93.784","0.001","93.127","0.001","8194.9","0.2","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H67.12 Cs21 Ge3 Na3 Nb16 O127.56 -","- C18 Cs21 Ge3 Na3 Nb16 O127.527 -","- C36 Cs42 Ge6 Na6 Nb32 O255.053 -","2","1","","Nord, Makenzie T.; Porter, Andrew P.; Aboa, Detcho J. N.; Minning, Robert S.; Bach, Karlie; Hiatt, Emily; Surta, Wesley T.; Zakharov, Lev N.; Rossini, Aaron J.; Nyman, May","Co-templating of polyoxoniobates and silicate/germanate trimer-rings in crystals and inorganic gels","Chemical Science","2026","","","","","10.1039/D6SC02933G","","","1.54184","CuKα","","0.1108","0.0963","","","0.2859","0.3017","","","","","","1.033","","","","has coordinates","305993","2026-05-19","22:15:42",""
"1577277","28.8284","0.0004","16.3406","0.0002","65.4933","0.0007","90","","92.472","0.001","90","","30823.4","0.7","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H39.15 Cs24 Nb16 O113.57 Si3 -","- C18 Cs23.9999 Nb16 O113.63 Si3 -","- C144 Cs191.999 Nb128 O909.04 Si24 -","8","1","","Nord, Makenzie T.; Porter, Andrew P.; Aboa, Detcho J. N.; Minning, Robert S.; Bach, Karlie; Hiatt, Emily; Surta, Wesley T.; Zakharov, Lev N.; Rossini, Aaron J.; Nyman, May","Co-templating of polyoxoniobates and silicate/germanate trimer-rings in crystals and inorganic gels","Chemical Science","2026","","","","","10.1039/D6SC02933G","","","1.54184","CuKα","","0.1292","0.1178","","","0.3254","0.3366","","","","","","1.337","","","","has coordinates","305993","2026-05-19","22:15:42",""
"1577278","16.3117","0.0001","17.1075","0.0001","18.3836","0.0001","90","","90","","90","","5129.99","0.05","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C35 H26 N2 O3 -","- C35 H26 N2 O3 -","- C280 H208 N16 O24 -","8","2","","Ge, Jin; Liu, Yaopeng; Wu, Xi; Li, Zhenghao; Zhang, Jie; Wang, Xiaosha; Liu, Shihan; Cheng, Guolin","Construction of axial chirality through addressing the meta constraint in Catellani reaction","Chemical Science","2026","","","","","10.1039/D6SC01871H","","x-ray","1.54184","CuKα","","0.0319","0.0304","","","0.0757","0.0766","","","","","","1.028","","","","has coordinates","305994","2026-05-19","22:15:52",""
"1577279","9.4611","0.0001","11.4919","0.0002","19.2439","0.0003","101.655","0.001","94.146","0.001","93.385","0.001","2037.99","0.05","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C47 H34 F12 N S2 -","- C47 H34 F12 N S2 -","- C94 H68 F24 N2 S4 -","2","1","","Shida, Naoki; Maekawa, Takuma; Yasuno, Yuki; Chong, Su-Gi; Tomita, Ikuyoshi; Atobe, Mahito; Inagi, Shinsuke","Electrolyte-anion-controlled reactivity of aromatic radical cations","Chemical Science","2026","","","","","10.1039/D6SC00891G","","","1.54184","CuKα","","0.0597","0.0556","","","0.1535","0.158","","","","","","1.062","","","","has coordinates","305995","2026-05-19","22:16:03",""
"1577280","11.9779","0.0002","7.9696","0.0001","13.5288","0.0002","90","","102.956","0.0017","90","","1258.57","0.03","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 Cl N2 O2 S -","- C12 H13 Cl N2 O2 S -","- C48 H52 Cl4 N8 O8 S4 -","4","1","","Zhu, Kangtao; Crumpton, Agamemnon E.; Willis, Michael C.","The palladium-catalysed modular annulative synthesis of cyclic sulfonimidamides","Chemical Science","2026","","","","","10.1039/D6SC02864K","","","1.54184","CuKα","","0.0258","0.025","","0.065","0.0645","0.065","","","","","","0.997","","","","has coordinates","305996","2026-05-19","22:16:15",""
"1577281","6.92319","0.00004","24.23006","0.00012","13.31782","0.00007","90","","96.2588","0.0005","90","","2220.74","0.02","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H16 N2 O S -","- C16 H16 N2 O S -","- C96 H96 N12 O6 S6 -","6","3","","Zhu, Kangtao; Crumpton, Agamemnon E.; Willis, Michael C.","The palladium-catalysed modular annulative synthesis of cyclic sulfonimidamides","Chemical Science","2026","","","","","10.1039/D6SC02864K","","","1.54184","CuKα","","0.0256","0.0251","","0.0667","0.0664","0.0667","","","","","","0.9974","","","","has coordinates","305996","2026-05-19","22:16:15",""
"1577282","21.447","","28.586","","50.95","","90","","93.67","","90","","31172.6","","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C261 H333 Au40 P S24 -","- C261 H333 Au40 P S24 -","- C1044 H1332 Au160 P4 S96 -","4","1","","Chen, Jiankang; Wang, Yangping; Zhang, Yu; Yan, Huan; Li, Qinzhen; Chai, Jinsong; Gao, Guiqi; Liu, Chunyan; Yang, Sha; Zhu, Manzhou","Defect engineering within clusters to enhance cluster–support interaction boosts catalytic performance","Chemical Science","2026","","","","","10.1039/D6SC00569A","","","1.54186","CuKα","","0.1319","0.0871","","","0.2319","0.2861","","","","","","0.92","","","","has coordinates","305997","2026-05-19","22:16:28",""
"1577283","17.3338","0.0011","9.6343","0.0007","26.5027","0.0017","90","","107.145","0.002","90","","4229.2","0.5","186","2","186","","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C52 H42 N4 O2 -","- C52 H42 N4 O2 -","- C208 H168 N16 O8 -","4","1","","lei, huang; Liu, Chuanhao; Deng, Wenxiao; Tan, Yuchang; Tan, Yanfei; Huang, Yan","Dual-Parameter Self-Calibrating Probes for Organelle Polarity by Decoupling Viscosity from Polarity","The Analyst","2026","","","","","10.1039/D6AN00249H","","","0.71073","MoKα","","0.1415","0.0891","","","0.2257","0.2668","","","","","","1.153","","","","has coordinates,has disorder","306023","2026-05-20","21:17:43",""
"1577284","12.4293","0.0007","12.6498","0.0005","15.7096","0.0007","106.805","0.001","106.915","0.001","99.864","0.001","2172.46","0.18","170","","170","","","","","","","","","4","P -1","-P 1","2","","","","- C48 H59 N O12 -","- C48 H59 N O12 -","- C96 H118 N2 O24 -","2","1","","Mao, Ni; Hou, Xiaorong; Tian, Xueqi; Jiao, Jianmin; Hu, Xiao-Yu","AIE-active supramolecular cross-linked polymer gel based on multiple orthogonal non-covalent interactions with stimulus-responsive properties","Nanoscale","2026","","","","","10.1039/D6NR01266C","","","1.34139","GaKα","","0.0808","0.0745","","","0.2027","0.2088","","","","","","1.077","","","","has coordinates,has disorder","306060","2026-05-22","00:16:49",""
"1577285","9.6057","0.0003","9.6622","0.0004","10.3382","0.0004","63.11","0.004","88.157","0.003","66.225","0.004","769.77","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","2,3,6,7-Me4-9,10-Br2-DHDBA","1","","- C16 H16 B2 Br2 -","- C16 H16 B2 Br2 -","- C32 H32 B4 Br4 -","2","1","","Gerstner, Alexander; Arrowsmith, Merle; Dietz, Maximilian; Mihm, Cornelius; Braunschweig, Holger","Zerovalent transition-metal inverse-sandwich complexes of a diborataanthracene dianion","Chemical Science","2026","","","","","10.1039/D6SC02501C","","x-ray","1.54184","CuKα","K-L~2,3~","0.0484","0.0439","","","0.1275","0.1301","","","","","","1.15","","","","has coordinates","306070","2026-05-22","22:10:54",""
"1577286","8.3196","0.0003","9.7359","0.0003","10.7962","0.0003","69.942","0.003","75.684","0.003","66.726","0.003","748.24","0.05","100","2","100","2","","","","","","","","3","P -1","-P 1","2","2,3,6,7,9,10-Me6-9,10-DHDBA","2","","- C18 H22 B2 -","- C18 H22 B2 -","- C36 H44 B4 -","2","1","","Gerstner, Alexander; Arrowsmith, Merle; Dietz, Maximilian; Mihm, Cornelius; Braunschweig, Holger","Zerovalent transition-metal inverse-sandwich complexes of a diborataanthracene dianion","Chemical Science","2026","","","","","10.1039/D6SC02501C","","x-ray","1.54184","CuKα","K-L~2,3~","0.0708","0.0562","","","0.1644","0.1852","","","","","","1.108","","","","has coordinates","306070","2026-05-22","22:10:54",""
"1577287","10.1458","0.0001","13.7582","0.0002","13.592","0.0001","90","","91.097","0.001","90","","1896.93","0.04","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","{eta6-[2,3,6,7,9,10-Me6-9,10-DHDBA]}{Cr(CO)3}","2-Cr","","- C21 H22 B2 Cr O3 -","- C21 H22 B2 Cr O3 -","- C84 H88 B8 Cr4 O12 -","4","1","","Gerstner, Alexander; Arrowsmith, Merle; Dietz, Maximilian; Mihm, Cornelius; Braunschweig, Holger","Zerovalent transition-metal inverse-sandwich complexes of a diborataanthracene dianion","Chemical Science","2026","","","","","10.1039/D6SC02501C","","x-ray","1.54184","CuKα","K-L~2,3~","0.0708","0.0645","","","0.1779","0.1844","","","","","","1.039","","","","has coordinates","306070","2026-05-22","22:10:54",""
"1577288","42.0401","0.0004","10.407","0.0001","24.2315","0.0002","90","","105.154","0.001","90","","10232.9","0.17","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","{mu-eta6,eta6-[2,3,6,7,9,10-Me6-9,10-DBA]}{Mo(CO)3Li(thf)3}2","3-Mo2","","- C48 H70 B2 Li2 Mo2 O12 -","- C48 H70 B2 Li2 Mo2 O12 -","- C384 H560 B16 Li16 Mo16 O96 -","8","2","","Gerstner, Alexander; Arrowsmith, Merle; Dietz, Maximilian; Mihm, Cornelius; Braunschweig, Holger","Zerovalent transition-metal inverse-sandwich complexes of a diborataanthracene dianion","Chemical Science","2026","","","","","10.1039/D6SC02501C","","x-ray","1.54184","CuKα","K-L~2,3~","0.0732","0.0703","","","0.1575","0.1589","","","","","","1.187","","","","has coordinates,has disorder","306070","2026-05-22","22:10:54",""
"1577289","12.6159","0.0002","13.9295","0.0002","14.9564","0.0003","90","","114.15","0.002","90","","2398.3","0.08","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","{eta6,eta'6-[2,3,6,7,9,10-Me6-9,10-DHDBA]}{Cr(CO)3}2","2-Cr2","","- C24 H22 B2 Cr2 O6 -","- C24 H22 B2 Cr2 O6 -","- C96 H88 B8 Cr8 O24 -","4","0.5","","Gerstner, Alexander; Arrowsmith, Merle; Dietz, Maximilian; Mihm, Cornelius; Braunschweig, Holger","Zerovalent transition-metal inverse-sandwich complexes of a diborataanthracene dianion","Chemical Science","2026","","","","","10.1039/D6SC02501C","","x-ray","1.54184","CuKα","K-L~2,3~","0.0641","0.0638","","","0.1389","0.1396","","","","","","1.08","","","","has coordinates","306070","2026-05-22","22:10:54",""
"1577290","7.1087","0.0001","10.1577","0.0001","16.8094","0.0002","90","","93.311","0.001","90","","1211.75","0.03","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","{eta6,eta'6-[2,3,6,7,9,10-Me6-9,10-DHDBA]}{W(CO)3}2","2-W2","","- C24 H22 B2 O6 W2 -","- C24 H22 B2 O6 W2 -","- C48 H44 B4 O12 W4 -","2","0.5","","Gerstner, Alexander; Arrowsmith, Merle; Dietz, Maximilian; Mihm, Cornelius; Braunschweig, Holger","Zerovalent transition-metal inverse-sandwich complexes of a diborataanthracene dianion","Chemical Science","2026","","","","","10.1039/D6SC02501C","","x-ray","1.54184","CuKα","K-L~2,3~","0.0322","0.0312","","","0.0841","0.085","","","","","","1.109","","","","has coordinates","306070","2026-05-22","22:10:54",""
"1577291","8.4981","0.0001","10.587","0.0002","13.5435","0.0002","90","","101.946","0.002","90","","1192.11","0.03","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","{eta6,eta'6-[2,3,6,7,9,10-Me6-9,10-DHDBA]}{Mo(CO)3}2","2-Mo2","","- C24 H22 B2 Mo2 O6 -","- C24 H22 B2 Mo2 O6 -","- C48 H44 B4 Mo4 O12 -","2","0.5","","Gerstner, Alexander; Arrowsmith, Merle; Dietz, Maximilian; Mihm, Cornelius; Braunschweig, Holger","Zerovalent transition-metal inverse-sandwich complexes of a diborataanthracene dianion","Chemical Science","2026","","","","","10.1039/D6SC02501C","","x-ray","1.54184","CuKα","K-L~2,3~","0.0305","0.0276","","","0.0707","0.0724","","","","","","1.089","","","","has coordinates","306070","2026-05-22","22:10:54",""
"1577292","8.7241","0.0002","9.4419","0.0001","19.9924","0.0004","90","","96.948","0.002","90","","1634.72","0.05","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","{mu-eta6,eta6-[2,3,6,7,9,10-Me6-9,10-DBA]}{Li(thf)2}2","3","","- C34 H54 B2 Li2 O4 -","- C34 H54 B2 Li2 O4 -","- C68 H108 B4 Li4 O8 -","2","0.5","","Gerstner, Alexander; Arrowsmith, Merle; Dietz, Maximilian; Mihm, Cornelius; Braunschweig, Holger","Zerovalent transition-metal inverse-sandwich complexes of a diborataanthracene dianion","Chemical Science","2026","","","","","10.1039/D6SC02501C","","x-ray","1.54184","CuKα","K-L~2,3~","0.0803","0.0736","","","0.2083","0.2148","","","","","","1.071","","","","has coordinates,has disorder","306070","2026-05-22","22:10:54",""
"1577293","41.931","0.002","10.3833","0.0005","23.8066","0.0012","90","","104.726","0.004","90","","10024.5","0.9","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","{mu-eta6,eta6-[2,3,6,7,9,10-Me6-9,10-DBA]}{Cr(CO)3Li(thf)3}2","3-Cr2","","- C48 H70 B2 Cr2 Li2 O12 -","- C48.004 H70.008 B2 Cr2 Li2 O12.001 -","- C384.032 H560.064 B16 Cr16 Li16 O96.008 -","8","2","","Gerstner, Alexander; Arrowsmith, Merle; Dietz, Maximilian; Mihm, Cornelius; Braunschweig, Holger","Zerovalent transition-metal inverse-sandwich complexes of a diborataanthracene dianion","Chemical Science","2026","","","","","10.1039/D6SC02501C","","x-ray","1.54184","CuKα","K-L~2,3~","0.0401","0.0367","","","0.1019","0.104","","","","","","1.044","","","","has coordinates,has disorder","306070","2026-05-22","22:10:54",""
"1577294","17.5412","0.0002","12.8028","0.0001","23.5003","0.0002","90","","90","","90","","5277.61","0.09","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C25 H40 N O P2 Rh -","- C25 H40 N O P2 Rh -","- C200 H320 N8 O8 P16 Rh8 -","8","2","","Hood, Thomas M.; Ward, Andrew CC; Kraemer, Tobias; Chaplin, Adrian B.","Shedding light on the copper-catalysed diboron(4) reduction of nitrous oxide","Catalysis Science & Technology","2026","","","","","10.1039/D6CY00561F","","x-ray","1.54184","CuKα","","0.0316","0.0301","","","0.0781","0.0795","","","","","","1.018","","","","has coordinates","306101","2026-05-27","21:41:39",""
"1577295","16.302","0.0003","9.4629","0.0001","19.7367","0.0003","90","","90.01","0.001","90","","3044.67","0.08","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H45 O2 P2 Rh -","- C33 H45 O2 P2 Rh -","- C132 H180 O8 P8 Rh4 -","4","1","","Hood, Thomas M.; Ward, Andrew CC; Kraemer, Tobias; Chaplin, Adrian B.","Shedding light on the copper-catalysed diboron(4) reduction of nitrous oxide","Catalysis Science & Technology","2026","","","","","10.1039/D6CY00561F","","x-ray","0.71073","MoKα","","0.0289","0.0243","","","0.0602","0.0625","","","","","","1.053","","","","has coordinates,has disorder","306101","2026-05-27","21:41:39",""
"1577296","18.4894","0.0004","10.435","0.0002","20.2727","0.0004","90","","96.998","0.001","90","","3882.21","0.14","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H46 F12 N7 P2 Pd -","- C32 H46 F12 N7 P2 Pd -","- C128 H184 F48 N28 P8 Pd4 -","4","1","","Bae, Dae Young; Ruhs, Nicholas P.; Mirica, Liviu M.","Aerobic Base-free C-H Bond Activation at a Pd Center in Aqueous Conditions","Chemical Science","2026","","","","","10.1039/D6SC03081E","","","0.71073","MoKα","","0.0291","0.025","","","0.0595","0.0617","","","","","","1.054","","","","has coordinates","306105","2026-05-27","22:11:25",""
"1577297","12.1854","0.001","13.2252","0.0011","19.5898","0.0017","90","","105.091","0.005","90","","3048.1","0.4","100","2","100.05","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H41 B2 F8 N5 Pd -","- C28 H41 B2 F8 N5 Pd -","- C112 H164 B8 F32 N20 Pd4 -","4","1","","Bae, Dae Young; Ruhs, Nicholas P.; Mirica, Liviu M.","Aerobic Base-free C-H Bond Activation at a Pd Center in Aqueous Conditions","Chemical Science","2026","","","","","10.1039/D6SC03081E","","","0.71073","MoKα","","0.1062","0.0768","","","0.1967","0.2208","","","","","","1.063","","","","has coordinates,has disorder","306105","2026-05-27","22:11:25",""
"1577298","7.729","0.0003","9.687","0.0004","22.8572","0.0009","85.008","0.001","84.302","0.001","86.384","0.001","1693.86","0.12","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H44 B2 F8 N6 Pd -","- C30 H44 B2 F8 N6 Pd -","- C60 H88 B4 F16 N12 Pd2 -","2","1","","Bae, Dae Young; Ruhs, Nicholas P.; Mirica, Liviu M.","Aerobic Base-free C-H Bond Activation at a Pd Center in Aqueous Conditions","Chemical Science","2026","","","","","10.1039/D6SC03081E","","x-ray","0.71073","MoKα","","0.0309","0.0273","","","0.0623","0.0641","","","","","","1.094","","","","has coordinates,has disorder","306105","2026-05-27","22:11:25",""
"1577299","12.751","0.011","20.811","0.017","31.27","0.02","79.76","0.05","83.11","0.02","79.64","0.02","7999","11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C100 H106 N2 O4 -","- C100 H106 N2 O4 -","- C400 H424 N8 O16 -","4","2","","Soldner, Simon; Öçal, Ömer E; Shoyama, Kazutaka; Horneber, Dominik; Düreth, Johannes; Höfling, Sven; Klembt, Sebastian; Stolte, Matthias; Würthner, Frank","Colour by Design: Tuning the Solid-State Emission of Coronene Bisimide by Tailored Matrices","Chemical Science","2026","","","","","10.1039/D6SC02467J","","","0.61989","synchrotron","","0.3491","0.2166","","","0.5555","0.6259","","","","","","1.382","","","","has coordinates","306114","2026-05-28","23:30:35",""
"1577300","15.447","0.013","22.601","0.005","15.846","0.005","90","","108.39","0.009","90","","5250","5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C140 H130 N2 O4 -","- C140 H130 N2 O4 -","- C280 H260 N4 O8 -","2","0.5","","Soldner, Simon; Öçal, Ömer E; Shoyama, Kazutaka; Horneber, Dominik; Düreth, Johannes; Höfling, Sven; Klembt, Sebastian; Stolte, Matthias; Würthner, Frank","Colour by Design: Tuning the Solid-State Emission of Coronene Bisimide by Tailored Matrices","Chemical Science","2026","","","","","10.1039/D6SC02467J","","","0.61989","synchrotron","","0.1882","0.1298","","","0.3743","0.4422","","","","","","1.015","","","","has coordinates,has disorder","306114","2026-05-28","23:30:35",""
"1577301","6.824","0.004","17.592","0.006","35.792","0.003","78.6","0.012","89.465","0.019","88.533","0.018","4211","3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C103.19 H106 N2 O7.19 -","- C103.191 H106 N2 O7.191 -","- C206.382 H212 N4 O14.382 -","2","1","","Soldner, Simon; Öçal, Ömer E; Shoyama, Kazutaka; Horneber, Dominik; Düreth, Johannes; Höfling, Sven; Klembt, Sebastian; Stolte, Matthias; Würthner, Frank","Colour by Design: Tuning the Solid-State Emission of Coronene Bisimide by Tailored Matrices","Chemical Science","2026","","","","","10.1039/D6SC02467J","","","0.61991","synchrotron","","0.3342","0.1454","","","0.382","0.4914","","","","","","1.066","","","","has coordinates,has disorder","306114","2026-05-28","23:30:35",""
"1577302","11.9797","0.0014","15.8387","0.0017","19.038","0.002","77.575","0.006","78.866","0.01","89.072","0.004","3460.1","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C150 H136 Cl6 I8 N6 O4 -","- C150 H136 Cl6 I8 N6 O4 -","- C150 H136 Cl6 I8 N6 O4 -","1","0.5","","Soldner, Simon; Öçal, Ömer E; Shoyama, Kazutaka; Horneber, Dominik; Düreth, Johannes; Höfling, Sven; Klembt, Sebastian; Stolte, Matthias; Würthner, Frank","Colour by Design: Tuning the Solid-State Emission of Coronene Bisimide by Tailored Matrices","Chemical Science","2026","","","","","10.1039/D6SC02467J","","","1.54178","CuKα","","0.0329","0.0294","","","0.0749","0.0776","","","","","","1.022","","","","has coordinates,has disorder","306114","2026-05-28","23:30:35",""
"1577303","11.982","0.004","28.663","0.004","30.843","0.004","90","","90.52","0.06","90","","10592","4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C271 H276 N4 O8 -","- C271 H276 N4 O8 -","- C542 H552 N8 O16 -","2","0.5","","Soldner, Simon; Öçal, Ömer E; Shoyama, Kazutaka; Horneber, Dominik; Düreth, Johannes; Höfling, Sven; Klembt, Sebastian; Stolte, Matthias; Würthner, Frank","Colour by Design: Tuning the Solid-State Emission of Coronene Bisimide by Tailored Matrices","Chemical Science","2026","","","","","10.1039/D6SC02467J","","","0.61989","synchrotron","","0.1805","0.1245","","","0.3984","0.4539","","","","","","1.052","","","","has coordinates,has disorder","306114","2026-05-28","23:30:35",""
"1577304","25.5676","0.0007","16.6234","0.0003","17.359","0.0004","90","","109.614","0.003","90","","6949.8","0.3","100.01","0.1","100.01","0.1","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C56.5 H81.5 Au Cl3 F6 N4.5 O6 P4 S2 -","- C56.5 H81.5 Au Cl3 F6 N4.5 O6 P4 S2 -","- C226 H326 Au4 Cl12 F24 N18 O24 P16 S8 -","4","1","","Fidelius, Jannis; Taube, Clemens; Schwedtmann, Kai; Hennersdorf, Felix; Gomila, Rosa Maria; Frontera, Antonio; Wolf, Robert; Weigand, Jan J.","Imidazoliumyl-Substituted Di-and Iso-Tetraphosphanes and Their Metal-Mediated Fragmentation Reactions","Chemical Science","2026","","","","","10.1039/D6SC02577C","","x-ray","1.54184","CuKα","","0.0571","0.0502","","","0.1281","0.1331","","","","","","1.066","","","","has coordinates,has disorder","306115","2026-05-28","23:31:41",""
"1577305","26.0433","0.0003","16.7911","0.0001","23.4811","0.0002","90","","121.421","0.001","90","","8762.45","0.16","100.01","0.1","100.01","0.1","","","","","","","","8","I 1 2/a 1","-I 2ya","15","","","","- C88 H110 F10 N4 O7 P4 Pd2 S2 -","- C88 H110 F10 N4 O7 P4 Pd2 S2 -","- C352 H440 F40 N16 O28 P16 Pd8 S8 -","4","0.5","","Fidelius, Jannis; Taube, Clemens; Schwedtmann, Kai; Hennersdorf, Felix; Gomila, Rosa Maria; Frontera, Antonio; Wolf, Robert; Weigand, Jan J.","Imidazoliumyl-Substituted Di-and Iso-Tetraphosphanes and Their Metal-Mediated Fragmentation Reactions","Chemical Science","2026","","","","","10.1039/D6SC02577C","","x-ray","1.54184","CuKα","","0.0458","0.0431","","","0.1158","0.1188","","","","","","1.054","","","","has coordinates,has disorder","306115","2026-05-28","23:31:41",""
"1577306","14.02799","0.00008","14.02799","0.00008","68.3806","0.0005","90","","90","","120","","11653.5","0.13","100.01","0.1","100.01","0.1","","","","","","","","7","R 3 c :H","R 3 -2""c","161","","","","- C60 H102 F9 N9 O9 P4 S3 -","- C59.998 H102 F8.994 N9 O8.994 P4 S2.998 -","- C359.988 H612 F53.964 N54 O53.964 P24 S17.988 -","6","0.333333","","Fidelius, Jannis; Taube, Clemens; Schwedtmann, Kai; Hennersdorf, Felix; Gomila, Rosa Maria; Frontera, Antonio; Wolf, Robert; Weigand, Jan J.","Imidazoliumyl-Substituted Di-and Iso-Tetraphosphanes and Their Metal-Mediated Fragmentation Reactions","Chemical Science","2026","","","","","10.1039/D6SC02577C","","x-ray","1.54184","CuKα","","0.0701","0.0696","","","0.1896","0.1913","","","","","","1.083","","","","has coordinates,has disorder","306115","2026-05-28","23:31:41",""
"1577307","7.96005","0.00006","12.02181","0.00009","22.34595","0.00015","90","","99.1657","0.0006","90","","2111.07","0.03","200","0.1","200","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H50 F6 N4 O6 P2 S2 -","- C36 H50 F6 N4 O6 P2 S2 -","- C72 H100 F12 N8 O12 P4 S4 -","2","0.5","","Fidelius, Jannis; Taube, Clemens; Schwedtmann, Kai; Hennersdorf, Felix; Gomila, Rosa Maria; Frontera, Antonio; Wolf, Robert; Weigand, Jan J.","Imidazoliumyl-Substituted Di-and Iso-Tetraphosphanes and Their Metal-Mediated Fragmentation Reactions","Chemical Science","2026","","","","","10.1039/D6SC02577C","","x-ray","1.54184","CuKα","","0.0395","0.0385","","","0.1056","0.1066","","","","","","1.026","","","","has coordinates,has disorder","306115","2026-05-28","23:31:41",""
"1577308","16.6307","0.0004","14.8734","0.0002","23.481","0.0004","90","","106.231","0.002","90","","5576.65","0.19","100","0.1","100","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C47 H75 F8 N4 O6.5 P3 Pd S2 -","- C47 H75 F8 N4 O6.5 P3 Pd S2 -","- C188 H300 F32 N16 O26 P12 Pd4 S8 -","4","1","","Fidelius, Jannis; Taube, Clemens; Schwedtmann, Kai; Hennersdorf, Felix; Gomila, Rosa Maria; Frontera, Antonio; Wolf, Robert; Weigand, Jan J.","Imidazoliumyl-Substituted Di-and Iso-Tetraphosphanes and Their Metal-Mediated Fragmentation Reactions","Chemical Science","2026","","","","","10.1039/D6SC02577C","","x-ray","1.54184","CuKα","","0.0636","0.0531","","","0.1413","0.1512","","","","","","1.02","","","","has coordinates,has disorder","306115","2026-05-28","23:31:41",""
"1577309","9.6285","0.0003","24.5346","0.0007","11.7235","0.0003","90","","112.159","0.003","90","","2564.91","0.14","100","0.1","100","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C38 H66 Cl4 F6 N4 O6 P2 S2 -","- C38 H66 Cl4 F6 N4 O6 P2 S2 -","- C76 H132 Cl8 F12 N8 O12 P4 S4 -","2","0.5","","Fidelius, Jannis; Taube, Clemens; Schwedtmann, Kai; Hennersdorf, Felix; Gomila, Rosa Maria; Frontera, Antonio; Wolf, Robert; Weigand, Jan J.","Imidazoliumyl-Substituted Di-and Iso-Tetraphosphanes and Their Metal-Mediated Fragmentation Reactions","Chemical Science","2026","","","","","10.1039/D6SC02577C","","x-ray","1.54184","CuKα","","0.0739","0.0688","","","0.1838","0.1889","","","","","","1.051","","","","has coordinates,has disorder","306115","2026-05-28","23:31:41",""
"1577310","11.1951","0.0005","11.9364","0.0007","17.3601","0.0011","88.986","0.005","73.486","0.005","62.793","0.005","1960.8","0.2","100.01","0.1","100.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C32 H54 F6 N5 O6 P S2 -","- C32.001 H54 F6.003 N5 O6.003 P S2.001 -","- C64.002 H108 F12.006 N10 O12.006 P2 S4.002 -","2","1","","Fidelius, Jannis; Taube, Clemens; Schwedtmann, Kai; Hennersdorf, Felix; Gomila, Rosa Maria; Frontera, Antonio; Wolf, Robert; Weigand, Jan J.","Imidazoliumyl-Substituted Di-and Iso-Tetraphosphanes and Their Metal-Mediated Fragmentation Reactions","Chemical Science","2026","","","","","10.1039/D6SC02577C","","x-ray","1.54184","CuKα","","0.0843","0.0703","","","0.1909","0.207","","","","","","1.025","","","","has coordinates,has disorder","306115","2026-05-28","23:31:41",""
"1577311","10.5631","0.0002","9.3796","0.0001","27.2987","0.0004","90","","96.62","0.001","90","","2686.66","0.07","100.01","0.1","100.01","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C24 H30 Cl F4 N2 O3 P S -","- C24 H30 Cl F4 N2 O3 P S -","- C96 H120 Cl4 F16 N8 O12 P4 S4 -","4","1","","Fidelius, Jannis; Taube, Clemens; Schwedtmann, Kai; Hennersdorf, Felix; Gomila, Rosa Maria; Frontera, Antonio; Wolf, Robert; Weigand, Jan J.","Imidazoliumyl-Substituted Di-and Iso-Tetraphosphanes and Their Metal-Mediated Fragmentation Reactions","Chemical Science","2026","","","","","10.1039/D6SC02577C","","x-ray","1.54184","CuKα","","0.0532","0.0445","","","0.1163","0.1245","","","","","","1.021","","","","has coordinates,has disorder","306115","2026-05-28","23:31:41",""
"1577312","14.2227","0.0002","17.6707","0.0001","18.9439","0.0001","100.773","0.001","96.85","0.001","108.284","0.001","4359.5","0.08","100.01","0.1","100.01","0.1","","","","","","","","9","P -1","-P 1","2","","","","- C76 H88 Cl8 F6 N4 O6 P4 Pd2 S2 -","- C76 H88 Cl8 F6 N4 O6 P4 Pd2 S2 -","- C152 H176 Cl16 F12 N8 O12 P8 Pd4 S4 -","2","1","","Fidelius, Jannis; Taube, Clemens; Schwedtmann, Kai; Hennersdorf, Felix; Gomila, Rosa Maria; Frontera, Antonio; Wolf, Robert; Weigand, Jan J.","Imidazoliumyl-Substituted Di-and Iso-Tetraphosphanes and Their Metal-Mediated Fragmentation Reactions","Chemical Science","2026","","","","","10.1039/D6SC02577C","","x-ray","1.54184","CuKα","","0.0412","0.0392","","","0.1077","0.1098","","","","","","1.028","","","","has coordinates,has disorder","306115","2026-05-28","23:31:41",""
"1577313","17.24","0.0001","14.5891","0.0001","17.7842","0.0002","90","","96.179","0.001","90","","4447.03","0.06","100.01","0.1","100.01","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C36 H64 Cl2 F3 N4 O3 P3 S -","- C36 H64 Cl2 F3 N4 O3 P3 S -","- C144 H256 Cl8 F12 N16 O12 P12 S4 -","4","1","","Fidelius, Jannis; Taube, Clemens; Schwedtmann, Kai; Hennersdorf, Felix; Gomila, Rosa Maria; Frontera, Antonio; Wolf, Robert; Weigand, Jan J.","Imidazoliumyl-Substituted Di-and Iso-Tetraphosphanes and Their Metal-Mediated Fragmentation Reactions","Chemical Science","2026","","","","","10.1039/D6SC02577C","","x-ray","1.54184","CuKα","","0.0546","0.053","","","0.1423","0.1442","","","","","","1.03","","","","has coordinates,has disorder","306115","2026-05-28","23:31:41",""
"1577314","7.88912","0.00004","35.09855","0.00017","22.64824","0.00012","90","","98.2437","0.0005","90","","6206.42","0.06","100.01","0.1","100.01","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C34 H48 F6 N6 O6 P2 S2 -","- C34 H48 F6 N6 O6 P2 S2 -","- C204 H288 F36 N36 O36 P12 S12 -","6","1.5","","Fidelius, Jannis; Taube, Clemens; Schwedtmann, Kai; Hennersdorf, Felix; Gomila, Rosa Maria; Frontera, Antonio; Wolf, Robert; Weigand, Jan J.","Imidazoliumyl-Substituted Di-and Iso-Tetraphosphanes and Their Metal-Mediated Fragmentation Reactions","Chemical Science","2026","","","","","10.1039/D6SC02577C","","x-ray","1.54184","CuKα","","0.0509","0.0486","","","0.1244","0.1264","","","","","","1.017","","","","has coordinates,has disorder","306115","2026-05-28","23:31:41",""
"1577315","12.93012","0.00014","10.76679","0.00012","16.9595","0.0002","90","","90","","90","","2361.03","0.05","100.01","0.1","100.01","0.1","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C18 H31 Cl F3 N2 O3 P S -","- C18 H31 Cl F3 N2 O3 P S -","- C72 H124 Cl4 F12 N8 O12 P4 S4 -","4","1","","Fidelius, Jannis; Taube, Clemens; Schwedtmann, Kai; Hennersdorf, Felix; Gomila, Rosa Maria; Frontera, Antonio; Wolf, Robert; Weigand, Jan J.","Imidazoliumyl-Substituted Di-and Iso-Tetraphosphanes and Their Metal-Mediated Fragmentation Reactions","Chemical Science","2026","","","","","10.1039/D6SC02577C","","x-ray","1.54184","CuKα","","0.0405","0.04","","","0.1074","0.1081","","","","","","1.043","","","","has coordinates,has disorder","306115","2026-05-28","23:31:41",""
"1577316","14.3379","0.0003","16.0023","0.0003","19.1242","0.0004","74.3662","0.0018","85.3052","0.0017","68.1297","0.0018","3920.55","0.15","100.01","0.1","100.01","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C58 H83 Cl8 F9 N6 O9 P4 S3 -","- C58 H83 Cl8 F9 N6 O9 P4 S3 -","- C116 H166 Cl16 F18 N12 O18 P8 S6 -","2","1","","Fidelius, Jannis; Taube, Clemens; Schwedtmann, Kai; Hennersdorf, Felix; Gomila, Rosa Maria; Frontera, Antonio; Wolf, Robert; Weigand, Jan J.","Imidazoliumyl-Substituted Di-and Iso-Tetraphosphanes and Their Metal-Mediated Fragmentation Reactions","Chemical Science","2026","","","","","10.1039/D6SC02577C","","x-ray","1.54184","CuKα","","0.0696","0.0642","","","0.1749","0.1817","","","","","","1.019","","","","has coordinates,has disorder","306115","2026-05-28","23:31:41",""
"1577317","10.7981","0.0008","7.4662","0.0005","16.4344","0.0012","90","","93.101","0.003","90","","1323.01","0.16","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H18 O3 -","- C15 H18 O3 -","- C60 H72 O12 -","4","1","","Teschers, Charlotte S.; Barra, Cyriac; Scherübl, Maximilian; Zuber, Julian; Marek, Ilan","Diastereoselective Synthesis of Spiro[2,n]alkanes via Intramolecular Carbolithiation","Chemical Science","2026","","","","","10.1039/D6SC03169B","","x-ray","0.71073","MoKα","","0.0448","0.0351","","","0.0905","0.0971","","","","","","1.065","","","","has coordinates","306116","2026-05-28","23:32:05",""
"1577319","6.9584","0.0006","10.2697","0.0009","6.828","0.0006","90","","90","","90","","487.93","0.07","304","","304","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C4 H2 Cd N2 O2 -","- C4 H2 Cd N2 O2 -","- C16 H8 Cd4 N8 O8 -","4","1","","Qian, Jiaqi; Wang, Yunjie; Ding, Jiafu; Su, Xin; Wu, Qi","Breaking the SHG-Stability Trade-off in UV Nonlinear Optical Materials by Polar-Layer-Dense-Locking","Chemical Science","2026","","","","","10.1039/D6SC03803D","","","0.71073","MoKα","","0.0251","0.0221","","","0.0438","0.0451","","","","","","1.214","","","","has coordinates","306130","2026-05-29","22:14:46",""
"1577320","6.7456","0.0007","10.5361","0.0011","19.337","0.0018","76.704","0.004","81.939","0.005","85.572","0.007","1322.8","0.2","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","CCD2","","- C34 H26 O8 -","- C34 H26 O8 -","- C68 H52 O16 -","2","1","","Pal, Uttam; Woolard, Reed M.; Rout, Priyanka; Samal, Sanket; Kuila, Suman; Rahat, Md Masudur Rahman; Shen, Guancheng; Laskin, Julia; Barlow, Stephen; Marder, Seth R.; Hutchison, Geoffrey R.; Mei, Jianguo","Poly(chromenochromenedione) (PCCD): a structural isomer of poly(benzodifurandione) (PBDF)","Polymer Chemistry","2026","","","","","10.1039/D6PY00313C","","","1.54178","CuKα","","0.0522","0.0479","","","0.1498","0.1557","","","","","","1.053","","","","has coordinates","306138","2026-05-30","01:27:21",""
"1577321","5.759","","10.709","","38.068","","90","","90","","90","","2347.77","","100.15","","100.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H38 N4 O9 -","- C20 H38 N4 O9 -","- C80 H152 N16 O36 -","4","1","","Njoku, Sara; Perez Mellor, Ariel F.; Brazard, Johanna; Giuffrida, Simone G.; Dudziak, Wojciech; Besnard, Céline; Bürgi, Thomas; Adachi, Takuji B. M.; Szweda, Róża","Stereocontrol as a tool for shaping abiotic, sequence-defined oligourethanes","Polymer Chemistry","2026","","","","","10.1039/D6PY00299D","","","0.0285","electron","","0.1917","0.1245","","","0.2771","0.2955","","","","","","1.017","","","","has coordinates","306139","2026-05-30","01:27:28",""
"1577322","5.8915","0.0013","11.084","0.009","19.509","0.001","81.81","0.04","86.81","0.04","89.58","0.03","1259","1.1","250","2","250","2","","","","","","","","4","P 1","P 1","1","","","","- C20 H38 N4 O9 -","- C20 H38 N4 O9 -","- C40 H76 N8 O18 -","2","2","","Njoku, Sara; Perez Mellor, Ariel F.; Brazard, Johanna; Giuffrida, Simone G.; Dudziak, Wojciech; Besnard, Céline; Bürgi, Thomas; Adachi, Takuji B. M.; Szweda, Róża","Stereocontrol as a tool for shaping abiotic, sequence-defined oligourethanes","Polymer Chemistry","2026","","","","","10.1039/D6PY00299D","","x-ray","1.54184","CuKα","","0.0864","0.0705","","","0.1915","0.2026","","","","","","0.998","","","","has coordinates,has disorder","306139","2026-05-30","01:27:28",""
"1577323","3.9119","0.0002","3.9119","0.0002","3.9119","0.0002","90","","90","","90","","59.864","0.005","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","Cubic","","","- O3 Sr Ti -","- O1.51111 Sr0.5 Ti0.503625 -","- O3.02223 Sr Ti1.00725 -","2","0.0416667","","Namade, Lahu D.; Band, Swati S.; Pawar, Pratap K.; Patil, Amitkumar R.; Pedanekar, Rupesh S.; Managave, Kirti G.; Ganbavle,; Vinayak; V.'; Rajpure, Keshav Y.","Ultraviolet light-driven degradation of organic dyes using SrTiO3 photocatalytic nanoparticles","Colloids and Surfaces A: Physicochemical and Engineering Aspects","2026","202","","","","10.1016/j.colsurfa.2024.135976","","","","","","","","","","","","","","","","","","","","","has coordinates","306143","2026-05-30","05:38:49",""
"1577324","9.6798","","13.2874","","4.6758","","90","","104.932","","90","","581.091","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","Monoclinic","Co3 (P O4)2 (H2 O)8","","- Co3 H16 O16 P2 -","- Co3 H16 O16 P2 -","- Co6 H32 O32 P4 -","2","0.25","","Pawar, Pratap K; Namade, Lahu D.; Yadav, Harshada C.; Yadav, Amruta A.; Bodake, Tejas R.; Pedanekar, Rupesh S.; Rajpure, Keshav Y.","Hydrothermally synthesized hierarchically cobalt phosphate hydrate for water splitting and supercapacitor","Journal of Solid State Chemistry)","2026","354","","","","10.1016/j.jssc.2025.125751","","","","","","","","","","","","","","","","","","","","","has coordinates","306144","2026-05-30","07:28:01",""
"1577325","29.462","0.002","6.4244","0.0005","24.987","0.002","90","","106.7","0.004","90","","4530","0.6","298","","298","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","LQM-FN","","- C28 H24 N4 S -","- C28 H24 N4 S -","- C224 H192 N32 S8 -","8","1","","Liu, Qiang; Yan, Chenxu; Li, Xie; Huang, Haiyang; Fan, Zheyu; Zhang, Jizhan; Zhang, Weiwei; Shi, Ping; Zhao, Yuzheng; Guo, Zhiqian; Zhu, Weihong","Hydroxyl-radical-specific cascade photogeneration for oxygen-chain photocatalytic therapy","Chemical Science","2026","","","","","10.1039/D6SC03309A","","","1.54178","CuKα","","0.1085","0.0804","","","0.2039","0.2304","","","","","","1.057","","","","has coordinates","306154","2026-06-01","22:15:06",""
"1577326","27.7694","0.0019","17.0346","0.001","7.0579","0.0005","90","","91.497","0.006","90","","3337.5","0.4","200","","200","","","","","","","","","5","P 1 c 1","P -2yc","7","","LQM-FTPA-OME","","- C40 H32 N4 O2 S -","- C40 H32 N4 O2 S -","- C160 H128 N16 O8 S4 -","4","2","","Liu, Qiang; Yan, Chenxu; Li, Xie; Huang, Haiyang; Fan, Zheyu; Zhang, Jizhan; Zhang, Weiwei; Shi, Ping; Zhao, Yuzheng; Guo, Zhiqian; Zhu, Weihong","Hydroxyl-radical-specific cascade photogeneration for oxygen-chain photocatalytic therapy","Chemical Science","2026","","","","","10.1039/D6SC03309A","","x-ray","1.54178","CuKα","","0.1043","0.0707","","","0.1731","0.1948","","","","","","1.037","","","","has coordinates","306154","2026-06-01","22:15:06",""
"1577327","11.0463","0.0003","7.7452","0.0003","53.743","0.0016","90","","90","","90","","4598","0.3","200","","200","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","QM-FN","","- C28 H24 N4 S -","- C28 H24 N4 S -","- C224 H192 N32 S8 -","8","1","","Liu, Qiang; Yan, Chenxu; Li, Xie; Huang, Haiyang; Fan, Zheyu; Zhang, Jizhan; Zhang, Weiwei; Shi, Ping; Zhao, Yuzheng; Guo, Zhiqian; Zhu, Weihong","Hydroxyl-radical-specific cascade photogeneration for oxygen-chain photocatalytic therapy","Chemical Science","2026","","","","","10.1039/D6SC03309A","","x-ray","1.54178","CuKα","","0.0598","0.047","","","0.1159","0.1234","","","","","","1.039","","","","has coordinates,has disorder","306154","2026-06-01","22:15:06",""
"1577328","10.3848","0.0005","13.2592","0.0006","31.5354","0.0016","90.155","0.004","95.811","0.004","100.637","0.004","4244.7","0.4","200","","200","","","","","","","","","5","P -1","-P 1","2","","LQM-FOTPA-OME","","- C50 H52 N4 O4 S -","- C42 H34 N4 O4 S -","- C168 H136 N16 O16 S4 -","4","2","","Liu, Qiang; Yan, Chenxu; Li, Xie; Huang, Haiyang; Fan, Zheyu; Zhang, Jizhan; Zhang, Weiwei; Shi, Ping; Zhao, Yuzheng; Guo, Zhiqian; Zhu, Weihong","Hydroxyl-radical-specific cascade photogeneration for oxygen-chain photocatalytic therapy","Chemical Science","2026","","","","","10.1039/D6SC03309A","","","1.54178","CuKα","","0.1194","0.0703","","","0.1745","0.2089","","","","","","0.958","","","","has coordinates,has disorder","306154","2026-06-01","22:15:06",""
"1577329","14.5824","0.0002","15.983","0.0002","17.9097","0.0003","97.88","0.001","113.254","0.001","112.22","0.001","3342.99","0.1","200","","200","","","","","","","","","5","P -1","-P 1","2","","LQM-FOTPA","","- C40.81 H33.22 N4 O2.81 S -","- C40 H30 N4 O2 S -","- C160 H120 N16 O8 S4 -","4","2","","Liu, Qiang; Yan, Chenxu; Li, Xie; Huang, Haiyang; Fan, Zheyu; Zhang, Jizhan; Zhang, Weiwei; Shi, Ping; Zhao, Yuzheng; Guo, Zhiqian; Zhu, Weihong","Hydroxyl-radical-specific cascade photogeneration for oxygen-chain photocatalytic therapy","Chemical Science","2026","","","","","10.1039/D6SC03309A","","x-ray","1.54178","CuKα","","0.0446","0.0373","","","0.1046","0.1113","","","","","","0.942","","","","has coordinates,has disorder","306154","2026-06-01","22:15:06",""
"1577330","20.6398","0.0017","7.0366","0.0006","42.436","0.004","90","","90","","90","","6163.2","0.9","298","","298","","","","","","","","","4","P b c n","-P 2n 2ab","60","","LQM-FTPA","","- C38 H28 N4 S -","- C38 H28 N4 S -","- C304 H224 N32 S8 -","8","1","","Liu, Qiang; Yan, Chenxu; Li, Xie; Huang, Haiyang; Fan, Zheyu; Zhang, Jizhan; Zhang, Weiwei; Shi, Ping; Zhao, Yuzheng; Guo, Zhiqian; Zhu, Weihong","Hydroxyl-radical-specific cascade photogeneration for oxygen-chain photocatalytic therapy","Chemical Science","2026","","","","","10.1039/D6SC03309A","","x-ray","1.54178","CuKα","","0.0764","0.058","","","0.1301","0.1408","","","","","","1.073","","","","has coordinates","306154","2026-06-01","22:15:06",""
"1577331","5.21884","0.00011","8.77359","0.00018","26.1039","0.0005","90","","92.0277","0.0018","90","","1194.5","0.04","149.99","0.1","149.99","0.1","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C38 H22 -","- C38 H22 -","- C76 H44 -","2","0.5","","Arvidson, Jacob; Shaikh, Saad; Tanaka, Masahiro; Pawale, Tejal; Dawson, Andrew; Li, Xiao; Nesterov, Vladimir; Kobori, Yasuhiro; Das, Somnath; Wang, Hong","Linearly Acenaphthylene-Fused Pentacene Exhibiting Efficient Singlet Fission","Chemical Science","2026","","","","","10.1039/D5SC08246C","","x-ray","1.54184","CuKα","","0.048","0.0432","","","0.1147","0.1179","","","","","","1.059","","","","has coordinates","306165","2026-06-02","22:11:53",""
"1577332","8.3765","0.0001","14.9634","0.0002","17.9969","0.0002","89.442","0.001","85.365","0.001","79.872","0.001","2213.31","0.05","102","3","102","3","","","","","","","","3","P -1","-P 1","2","","","","- C54 H58 Si2 -","- C54 H58 Si2 -","- C108 H116 Si4 -","2","1","","Arvidson, Jacob; Shaikh, Saad; Tanaka, Masahiro; Pawale, Tejal; Dawson, Andrew; Li, Xiao; Nesterov, Vladimir; Kobori, Yasuhiro; Das, Somnath; Wang, Hong","Linearly Acenaphthylene-Fused Pentacene Exhibiting Efficient Singlet Fission","Chemical Science","2026","","","","","10.1039/D5SC08246C","","x-ray","1.54184","CuKα","","0.0517","0.0465","","","0.1244","0.1282","","","","","","1.056","","","","has coordinates,has disorder","306165","2026-06-02","22:11:53",""
"1577333","22.908","0.009","37.122","0.014","30.28","0.01","90","","98.54","0.04","90","","25464","16","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C119.6 H164.2 K3 N2 O31.9 -","- C119.6 H164.2 K3 N2 O31.9 -","- C956.8 H1313.6 K24 N16 O255.2 -","8","1","","Wiencierz-Paś, Agata; Moshniaha, Liliia; Chmielewski, Piotr J.; Lis, Tadeusz; Waliczek, Mateusz; Kabe, Ryota; Stępień, Marcin","Redox-Protonation Landscape of Indenyl-Annulated Perylenes. Chemodivergent Switching of Multistate NIR Chromophores","Chemical Science","2026","","","","","10.1039/D6SC01695B","","x-ray","1.54184","CuKα","","0.3549","0.1914","","","0.4127","0.455","","","","","","1.783","","","","has coordinates,has disorder","306166","2026-06-02","22:12:05",""
"1577334","13.7704","0.0003","14.3626","0.0003","23.1211","0.0004","100.012","0.002","99.963","0.002","110.512","0.002","4079.8","0.17","150","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C97 H89.5 N8.5 O8 -","- C84 H70 N2 O8 -","- C168 H140 N4 O16 -","2","1","","Qu, Wen-Juan; Shi, Wenjing; Wang, Ke; Hu, Wentao; Sun, Hui; Lin, Qi; Wei, Tai-Bao; Shi, Bingbing","A Crystalline Supramolecular Polymer Constructed by the Controlled Self-Assembly of Clamparene and Its Application in Photothermal Conversion","Polymer Chemistry","2026","","","","","10.1039/D6PY00399K","","x-ray","1.54184","CuKα","","0.11","0.088","","","0.2637","0.2831","","","","","","1.048","","","","has coordinates,has disorder","306173","2026-06-03","01:22:19",""
"1577335","24.2269","0.0006","24.2269","0.0006","28.2438","0.0007","90","","90","","120","","14356.5","0.6","100","0.1","100","0.1","","","","","","","","5","P 65","P 65","170","","","","- C93 H74 Cu3 O4 P6 -","- C93 H74 Cu3 O4 P6 -","- C558 H444 Cu18 O24 P36 -","6","1","","Yu, Ya-Na; Wu, Minjian; Wang, Linhua; Jiang, Zihao; Wang, Jing; Xu, Fei; Qin, Lin; Yao, Liao-Yuan; Yang, Guo-Yu","Aggregation-Induced Emissive Copper(I) Clusters: From Photophysical Mechanisms to Photocatalytic Performance","Nanoscale","2026","","","","","10.1039/D6NR00836D","","x-ray","0.71073","MoKα","","0.1324","0.0908","","","0.2427","0.2715","","","","","","1.042","","","","has coordinates","306182","2026-06-04","00:18:40",""
"1577336","15.3084","0.0004","15.6697","0.0004","20.0999","0.0005","80.717","0.001","86.317","0.001","72.398","0.001","4535","0.2","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C97 H134 B Cl Ge2 K2 O -","- C97 H134 B Cl Ge2 K2 O -","- C194 H268 B2 Cl2 Ge4 K4 O2 -","2","1","","Miehe, Stefan F.; Eichele, Klaus; Schubert, Hartmut; Bettinger, Holger F.; Sindlinger, Christian P.; Wesemann, Lars","Three reversibly interconvertible redox states of boradigermaallyl: syntheses of radical allyl anion and allyl dianion.","Chemical science","2026","17","17","8622","8629","10.1039/d6sc00727a","","","0.71073","MoKα","","0.0529","0.0392","","","0.1017","0.1091","","","","","","1.026","","","","has coordinates,has disorder","306195","2026-06-04","09:18:10",""
"1577337","14.16","0.03","15.57","0.03","23.12","0.04","95.88","0.1","106.07","0.13","111.83","0.1","4425","16","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C96 H133 B Ge2 O3 -","- C96 H133 B Ge2 O3 -","- C192 H266 B2 Ge4 O6 -","2","1","","Miehe, Stefan F.; Eichele, Klaus; Schubert, Hartmut; Bettinger, Holger F.; Sindlinger, Christian P.; Wesemann, Lars","Three reversibly interconvertible redox states of boradigermaallyl: syntheses of radical allyl anion and allyl dianion.","Chemical science","2026","17","17","8622","8629","10.1039/d6sc00727a","","","0.71073","MoKα","","0.0731","0.0467","","","0.1112","0.1231","","","","","","1.077","","","","has coordinates,has disorder","306195","2026-06-04","09:18:10",""
"1577338","13.9575","0.0003","24.6291","0.0004","25.533","0.0005","90","","98.924","0.001","90","","8671","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C95 H130 B Cl Ge2 K O3 -","- C95 H130 B Cl Ge2 K O3 -","- C380 H520 B4 Cl4 Ge8 K4 O12 -","4","1","","Miehe, Stefan F.; Eichele, Klaus; Schubert, Hartmut; Bettinger, Holger F.; Sindlinger, Christian P.; Wesemann, Lars","Three reversibly interconvertible redox states of boradigermaallyl: syntheses of radical allyl anion and allyl dianion.","Chemical science","2026","17","17","8622","8629","10.1039/d6sc00727a","","","0.71073","MoKα","","0.0744","0.0563","","","0.1363","0.146","","","","","","1.063","","","","has coordinates,has disorder","306195","2026-06-04","09:18:10",""
"1577339","13.9201","0.0003","14.5139","0.0003","22.3865","0.0005","82.677","0.001","71.937","0.001","65.73","0.001","3919.92","0.15","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C88 H113 B Br2 Ge2 O -","- C88 H113 B Br2 Ge2 O -","- C176 H226 B2 Br4 Ge4 O2 -","2","1","","Miehe, Stefan F.; Eichele, Klaus; Schubert, Hartmut; Bettinger, Holger F.; Sindlinger, Christian P.; Wesemann, Lars","Three reversibly interconvertible redox states of boradigermaallyl: syntheses of radical allyl anion and allyl dianion.","Chemical science","2026","17","17","8622","8629","10.1039/d6sc00727a","","","0.71073","MoKα","","0.0315","0.0249","","","0.0604","0.0626","","","","","","1.004","","","","has coordinates,has disorder","306195","2026-06-04","09:18:10",""
"1577340","12.4223","0.0003","13.6169","0.0003","26.2587","0.0006","93.519","0.001","98.179","0.001","116.405","0.001","3898.77","0.16","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C88 H113 B Ge2 K2 O -","- C88 H113 B Ge2 K2 O -","- C176 H226 B2 Ge4 K4 O2 -","2","1","","Miehe, Stefan F.; Eichele, Klaus; Schubert, Hartmut; Bettinger, Holger F.; Sindlinger, Christian P.; Wesemann, Lars","Three reversibly interconvertible redox states of boradigermaallyl: syntheses of radical allyl anion and allyl dianion.","Chemical science","2026","17","17","8622","8629","10.1039/d6sc00727a","","","0.71073","MoKα","","0.0805","0.0786","","","0.1826","0.1835","","","","","","1.291","","","","has coordinates,has disorder","306195","2026-06-04","09:18:10",""
"1577341","43.85","0.0005","9.0884","0.0002","44.605","0.0007","90","","90","","90","","17776.3","0.5","100","0.11","100","0.11","","","","","","","","4","P b c a","-P 2ac 2ab","61","","H8ETTOB-HOF","","- C82 H56 N4 O16 -","- C82 H56 N4 O16 -","- C656 H448 N32 O128 -","8","1","","Liu, Biying; Wang, Ying; She, Miao; Liu, Tianfu; Luo, Manxin; Xie, Yongxin; Liu, Defei; Du, Ziyi; Huang, Liyun; Yuan, Wenbing","Rational design of a polyphenyl octacarboxylate HOF for highly selective separation of benzene over cyclohexane.","Chemical science","2026","17","17","8772","8779","10.1039/d5sc10068b","","x-ray","1.54184","CuKα","","0.1487","0.096","","","0.2791","0.3149","","","","","","1.062","","","","has coordinates","306196","2026-06-04","09:18:27",""
"1577342","13.4309","0.0002","13.4309","0.0002","14.4904","0.0004","90","","90","","120","","2263.71","0.08","296","2","296","2","","","","","","","","6","P 32","P 32","145","","","","- C27 H36 Br Mn N2 O5 -","- C27 H36 Br Mn N2 O5 -","- C81 H108 Br3 Mn3 N6 O15 -","3","1","","Bong, Min-Jong; Lee, Wonjung; Lee, Daehan; Kim, Hyunuk; Seo, Junhyeok; Son, Ho-Jin","A secondary-sphere proton channel accelerating metal-hydride formation in Mn(i) catalysts for selective CO<sub>2</sub>-to-formate conversion.","Chemical science","2026","17","19","9535","9551","10.1039/d5sc09412g","","","0.71073","MoKα","","0.0387","0.0375","","","0.1053","0.1064","","","","","","1.045","","","","has coordinates,has disorder","306197","2026-06-04","09:19:16",""
"1577343","20.729","0.006","12.375","0.003","21.623","0.006","90","","106.022","0.01","90","","5331","3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H64 Br2 Mn2 N4 O8 -","- C50 H64 Br2 Mn2 N4 O8 -","- C200 H256 Br8 Mn8 N16 O32 -","4","1","","Bong, Min-Jong; Lee, Wonjung; Lee, Daehan; Kim, Hyunuk; Seo, Junhyeok; Son, Ho-Jin","A secondary-sphere proton channel accelerating metal-hydride formation in Mn(i) catalysts for selective CO<sub>2</sub>-to-formate conversion.","Chemical science","2026","17","19","9535","9551","10.1039/d5sc09412g","","","0.71073","MoKα","","0.102","0.083","","","0.2274","0.2488","","","","","","1.011","","","","has coordinates,has disorder","306197","2026-06-04","09:19:16",""
"1577344","19.6219","0.0002","16.0897","0.0002","23.054","0.0003","90","","91.953","0.001","90","","7274.16","0.15","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C85 H103 B3 O3 -","- C85 H103 B3 O3 -","- C340 H412 B12 O12 -","4","1","","Zhang, Yufeng; Krebs, Johannes; Friedrich, Alexandra; Yamaguchi, Shigehiro; Krummenacher, Ivo; Braunschweig, Holger; Marder, Todd B.; Ji, Lei","Tris((4-BMes<sub>2</sub>)phenyl)methanide: a carbanion with a delocalised triple quinoidal structure.","Chemical science","2026","17","19","9625","9632","10.1039/d5sc10121b","","x-ray","1.54184","CuKα","K-L~2,3~","0.0813","0.0758","","","0.2166","0.2243","","","","","","1.036","","","","has coordinates,has disorder","306198","2026-06-04","09:19:28",""
"1577345","12.8289","0.0002","13.796","0.0003","29.202","0.0005","85.135","0.002","87.824","0.001","82","0.001","5097.86","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C111 H154 B3 K O12.5 -","- C111 H154 B3 K O12.5 -","- C222 H308 B6 K2 O25 -","2","1","","Zhang, Yufeng; Krebs, Johannes; Friedrich, Alexandra; Yamaguchi, Shigehiro; Krummenacher, Ivo; Braunschweig, Holger; Marder, Todd B.; Ji, Lei","Tris((4-BMes<sub>2</sub>)phenyl)methanide: a carbanion with a delocalised triple quinoidal structure.","Chemical science","2026","17","19","9625","9632","10.1039/d5sc10121b","","x-ray","1.54184","CuKα","K-L~2,3~","0.1219","0.0889","","","0.2719","0.3012","","","","","","1.072","","","","has coordinates,has disorder","306198","2026-06-04","09:19:28",""
"1577346","11.1153","0.0001","20.5467","0.0001","17.4743","0.0001","90","","108.447","0.001","90","","3785.77","0.05","138.15","","138.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H23 B F20 O2 Si -","- C34 H23 B F20 O2 Si -","- C136 H92 B4 F80 O8 Si4 -","4","1","","Li, Zhuojun; Shi, Xiangqian; Zhang, Dongke; Wu, Qian","Conversion of trifluoromethyls into esters along with polyether upcycling <i>via</i> cation-transfer-catalyzed C-O/C-F metathesis.","Chemical science","2026","17","20","9952","9959","10.1039/d5sc10208a","","x-ray","1.54184","CuKα","","0.0492","0.0478","","","0.1366","0.1377","","","","","","1.037","","","","has coordinates","306199","2026-06-04","09:20:26",""
"1577347","14.7733","0.0006","11.3227","0.0004","17.8844","0.0006","90","","90.076","0.004","90","","2991.59","0.19","138.15","","138.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30.32 H14.32 B F20 O2.66 -","- C30.324 H14.324 B F20 O2.662 -","- C121.296 H57.296 B4 F80 O10.648 -","4","1","","Li, Zhuojun; Shi, Xiangqian; Zhang, Dongke; Wu, Qian","Conversion of trifluoromethyls into esters along with polyether upcycling <i>via</i> cation-transfer-catalyzed C-O/C-F metathesis.","Chemical science","2026","17","20","9952","9959","10.1039/d5sc10208a","","x-ray","1.54184","CuKα","","0.0973","0.0861","","","0.2456","0.2595","","","","","","1.042","","","","has coordinates,has disorder","306199","2026-06-04","09:20:26",""
"1577348","14.5795","0.0001","11.3766","0.0001","17.9416","0.0001","90","","90.463","0.001","90","","2975.79","0.04","113.15","","113.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H12 B Br F20 O -","- C29 H12 B Br F20 O -","- C116 H48 B4 Br4 F80 O4 -","4","1","","Li, Zhuojun; Shi, Xiangqian; Zhang, Dongke; Wu, Qian","Conversion of trifluoromethyls into esters along with polyether upcycling <i>via</i> cation-transfer-catalyzed C-O/C-F metathesis.","Chemical science","2026","17","20","9952","9959","10.1039/d5sc10208a","","x-ray","1.54184","CuKα","","0.0694","0.0687","","","0.2108","0.2113","","","","","","1.041","","","","has coordinates","306199","2026-06-04","09:20:26",""
"1577349","19.6218","0.0001","17.4402","0.0001","21.7686","0.0002","90","","90","","90","","7449.39","0.09","99.8","0.8","99.8","0.8","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C37.35 H33.04 B F20 O Si -","- C34 H25 B F20 O Si -","- C272 H200 B8 F160 O8 Si8 -","8","1","","Li, Zhuojun; Shi, Xiangqian; Zhang, Dongke; Wu, Qian","Conversion of trifluoromethyls into esters along with polyether upcycling <i>via</i> cation-transfer-catalyzed C-O/C-F metathesis.","Chemical science","2026","17","20","9952","9959","10.1039/d5sc10208a","","x-ray","1.54184","CuKα","","0.0434","0.0386","","","0.1031","0.1063","","","","","","1.048","","","","has coordinates,has disorder","306199","2026-06-04","09:20:26",""
"1577350","7.1876","0.00005","7.88139","0.00005","33.6858","0.0002","90","","90","","90","","1908.24","0.02","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H10 F N O -","- C11 H10 F N O -","- C88 H80 F8 N8 O8 -","8","2","","Jafari, Nawal Zahra; Wang, Zheyuan; Chattopadhyay, Anwita; Roy, Satyajit; Fasan, Rudi","Highly stereoselective synthesis of allylic β-lactams <i>via</i> enzymatic C(sp<sup>3</sup>)-H amidation.","Chemical science","2026","17","18","9223","9229","10.1039/d6sc01440b","","x-ray","1.54184","CuKα","","0.0299","0.029","","","0.0719","0.0727","","","","","","1.057","","","","has coordinates","306200","2026-06-04","09:21:49",""
"1577351","15.2706","0.0008","21.8702","0.0012","23.1045","0.0012","90","","109.273","0.002","90","","7283.8","0.7","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C63 H126 Ga7 N7 Ti -","- C63 H126 Ga7 N7 Ti -","- C252 H504 Ga28 N28 Ti4 -","4","1","","Antsiburov, Ivan; Bühler, Raphael; Stephan, Johannes; Erdyakov, Maxim; Gemel, Christian; Kahlal, Samia; Cador, Olivier; Guizouarn, Thierry; Saillard, Jean-Yves; Meyer, Karsten; Fischer, Roland A.","Homoleptic seven-coordinate Ti(0) and Zr(0) through a new stabilization mode.","Chemical science","2026","17","18","8989","8997","10.1039/d6sc00226a","","x-ray","0.71073","MoKα","","0.0308","0.0252","","","0.0628","0.0655","","","","","","1.035","","","","has coordinates,has disorder","306201","2026-06-04","09:22:45",""
"1577352","12.596","0.001","12.7436","0.0009","24.9845","0.0019","100.625","0.003","97.016","0.003","103.616","0.002","3773","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C63 H126 Ga7 N7 Zr -","- C63 H126 Ga7 N7 Zr -","- C126 H252 Ga14 N14 Zr2 -","2","1","","Antsiburov, Ivan; Bühler, Raphael; Stephan, Johannes; Erdyakov, Maxim; Gemel, Christian; Kahlal, Samia; Cador, Olivier; Guizouarn, Thierry; Saillard, Jean-Yves; Meyer, Karsten; Fischer, Roland A.","Homoleptic seven-coordinate Ti(0) and Zr(0) through a new stabilization mode.","Chemical science","2026","17","18","8989","8997","10.1039/d6sc00226a","","x-ray","0.71073","MoKα","","0.1156","0.0556","","","0.1139","0.1622","","","","","","1.219","","","","has coordinates,has disorder","306201","2026-06-04","09:22:45",""
"1577353","17.7049","0.001","32.5007","0.0018","28.0612","0.0015","90","","92.954","0.002","90","","16125.6","1.5","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C290 H351 B4 F99 Ga16 N16 Zr2 -","- C290 H351 B4 F99 Ga16 N16 Zr2 -","- C580 H702 B8 F198 Ga32 N32 Zr4 -","2","0.5","","Antsiburov, Ivan; Bühler, Raphael; Stephan, Johannes; Erdyakov, Maxim; Gemel, Christian; Kahlal, Samia; Cador, Olivier; Guizouarn, Thierry; Saillard, Jean-Yves; Meyer, Karsten; Fischer, Roland A.","Homoleptic seven-coordinate Ti(0) and Zr(0) through a new stabilization mode.","Chemical science","2026","17","18","8989","8997","10.1039/d6sc00226a","","x-ray","0.71073","MoKα","","0.0951","0.0513","","","0.1251","0.168","","","","","","1.247","","","","has coordinates,has disorder","306201","2026-06-04","09:22:45",""
"1577354","10.528","0.002","13.814","0.003","17.051","0.005","90","","92.451","0.009","90","","2477.5","1","273","2","273.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H24 F N O -","- C33 H24 F N O -","- C132 H96 F4 N4 O4 -","4","1","","Zhang, Qilong; Zhou, Xu; Shan, Xiaofeng; He, Fa; Bao, Yuwei; Xu, Hong; Zhu, Chun; Zhu, Bixue","Switching between photochromism and photoluminescence in Schiff base derivatives by molecular design of end groups.","Chemical science","2026","17","18","9193","9203","10.1039/d6sc00735j","","","0.71073","MoKα","","0.1332","0.0722","","","0.1769","0.2092","","","","","","1.027","","","","has coordinates","306202","2026-06-04","09:23:32",""
"1577355","10.5319","0.0015","13.7924","0.0019","17.028","0.002","90","","92.524","0.005","90","","2471.1","0.6","173","2","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H25 N O -","- C33 H25 N O -","- C132 H100 N4 O4 -","4","1","","Zhang, Qilong; Zhou, Xu; Shan, Xiaofeng; He, Fa; Bao, Yuwei; Xu, Hong; Zhu, Chun; Zhu, Bixue","Switching between photochromism and photoluminescence in Schiff base derivatives by molecular design of end groups.","Chemical science","2026","17","18","9193","9203","10.1039/d6sc00735j","","","0.71073","MoKα","","0.177","0.1107","","","0.1824","0.2042","","","","","","1.14","","","","has coordinates","306202","2026-06-04","09:23:32",""
"1577356","9.341","0.004","12.006","0.004","12.375","0.005","100.008","0.009","109.515","0.01","91.124","0.011","1283.7","0.9","273","2","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C33 H24 Br N O -","- C33 H24 Br N O -","- C66 H48 Br2 N2 O2 -","2","1","","Zhang, Qilong; Zhou, Xu; Shan, Xiaofeng; He, Fa; Bao, Yuwei; Xu, Hong; Zhu, Chun; Zhu, Bixue","Switching between photochromism and photoluminescence in Schiff base derivatives by molecular design of end groups.","Chemical science","2026","17","18","9193","9203","10.1039/d6sc00735j","","","0.71073","MoKα","","0.2307","0.0875","","","0.1817","0.2333","","","","","","0.964","","","","has coordinates","306202","2026-06-04","09:23:32",""
"1577357","10.657","0.002","14.315","0.003","16.926","0.004","90","","92.857","0.007","90","","2578.9","0.9","273","2","273.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H27 N O -","- C34 H27 N O -","- C136 H108 N4 O4 -","4","1","","Zhang, Qilong; Zhou, Xu; Shan, Xiaofeng; He, Fa; Bao, Yuwei; Xu, Hong; Zhu, Chun; Zhu, Bixue","Switching between photochromism and photoluminescence in Schiff base derivatives by molecular design of end groups.","Chemical science","2026","17","18","9193","9203","10.1039/d6sc00735j","","","0.71073","MoKα","","0.1412","0.0647","","","0.1221","0.1574","","","","","","1.041","","","","has coordinates","306202","2026-06-04","09:23:32",""
"1577358","10.757","0.002","13.767","0.003","16.963","0.003","90","","93.487","0.007","90","","2507.4","0.8","273","2","273.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H24 F N O -","- C33 H24 F N O -","- C132 H96 F4 N4 O4 -","4","1","","Zhang, Qilong; Zhou, Xu; Shan, Xiaofeng; He, Fa; Bao, Yuwei; Xu, Hong; Zhu, Chun; Zhu, Bixue","Switching between photochromism and photoluminescence in Schiff base derivatives by molecular design of end groups.","Chemical science","2026","17","18","9193","9203","10.1039/d6sc00735j","","","0.71073","MoKα","","0.1601","0.0999","","","0.2349","0.2686","","","","","","1.116","","","","has coordinates","306202","2026-06-04","09:23:32",""
"1577359","6.1709","0.0009","9.2484","0.0012","25.973","0.004","87.987","0.005","88.805","0.005","86.401","0.005","1478.2","0.4","273.15","","273.15","","","","","","","","","4","P -1","-P 1","2","","","","- C37 H33 N O -","- C37 H30 N O -","- C74 H60 N2 O2 -","2","1","","Zhang, Qilong; Zhou, Xu; Shan, Xiaofeng; He, Fa; Bao, Yuwei; Xu, Hong; Zhu, Chun; Zhu, Bixue","Switching between photochromism and photoluminescence in Schiff base derivatives by molecular design of end groups.","Chemical science","2026","17","18","9193","9203","10.1039/d6sc00735j","","","0.71073","MoKα","","0.1352","0.1055","","","0.2903","0.31","","","","","","1.047","","","","has coordinates,has disorder","306202","2026-06-04","09:23:32",""
"1577360","5.5572","0.0007","9.3767","0.0013","25.71","0.003","91.759","0.004","93.335","0.004","102.376","0.004","1305.1","0.3","273","2","273.15","","","","","","","","","4","P -1","-P 1","2","","","","- C33 H24 N2 O3 -","- C33 H24 N2 O3 -","- C66 H48 N4 O6 -","2","1","","Zhang, Qilong; Zhou, Xu; Shan, Xiaofeng; He, Fa; Bao, Yuwei; Xu, Hong; Zhu, Chun; Zhu, Bixue","Switching between photochromism and photoluminescence in Schiff base derivatives by molecular design of end groups.","Chemical science","2026","17","18","9193","9203","10.1039/d6sc00735j","","","0.71073","MoKα","","0.2894","0.1406","","","0.1886","0.2362","","","","","","1.032","","","","has coordinates","306202","2026-06-04","09:23:32",""
"1577361","45.626","0.002","8.3057","0.0004","16.4192","0.0008","90","","90.364","0.002","90","","6222","0.5","273","2","273.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C34 H31 N O4 -","- C34 H31 N O4 -","- C272 H248 N8 O32 -","8","1","","Zhang, Qilong; Zhou, Xu; Shan, Xiaofeng; He, Fa; Bao, Yuwei; Xu, Hong; Zhu, Chun; Zhu, Bixue","Switching between photochromism and photoluminescence in Schiff base derivatives by molecular design of end groups.","Chemical science","2026","17","18","9193","9203","10.1039/d6sc00735j","","","0.71073","MoKα","","0.2024","0.1541","","","0.3765","0.4009","","","","","","1.315","","","","has coordinates","306202","2026-06-04","09:23:32",""
"1577362","10.9355","0.0004","22.3155","0.0012","22.659","0.0013","116.289","0.006","99.564","0.004","93.218","0.004","4835.8","0.5","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C54.5 H69.5 B F N2 O -","- C54.5 H69.5 B F N2 O -","- C218 H278 B4 F4 N8 O4 -","4","2","","Nahon, Emily; Nelmes, Gareth R.; Dallerba, Elena; Lim, Li Feng; Cox, Nicholas; McMullin, Claire L.; Massi, Massimiliano; Kallmeier, Fabian; Hicks, Jamie","Xanthene-to-fluorene skeletal editing <i>via</i> oxygen deletion mediated by boron and aluminium radicals.","Chemical science","2026","17","21","10755","10761","10.1039/d6sc01056c","","x-ray","0.71073","MoKα","","0.1299","0.0756","","","0.1764","0.2109","","","","","","1.027","","","","has coordinates,has disorder","306203","2026-06-04","09:24:35",""
"1577363","24.0574","0.0003","10.9948","0.0002","10.6107","0.0002","90","","90","","90","","2806.6","0.08","150","0.1","150","0.1","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C31 H48 N2 -","- C31 H48 N2 -","- C124 H192 N8 -","4","0.5","","Nahon, Emily; Nelmes, Gareth R.; Dallerba, Elena; Lim, Li Feng; Cox, Nicholas; McMullin, Claire L.; Massi, Massimiliano; Kallmeier, Fabian; Hicks, Jamie","Xanthene-to-fluorene skeletal editing <i>via</i> oxygen deletion mediated by boron and aluminium radicals.","Chemical science","2026","17","21","10755","10761","10.1039/d6sc01056c","","x-ray","1.54184","CuKα","","0.0493","0.0452","","","0.1186","0.1227","","","","","","1.059","","","","has coordinates,has disorder","306203","2026-06-04","09:24:35",""
"1577364","13.3711","0.0007","19.0184","0.001","15.8471","0.0008","90","","106.027","0.005","90","","3873.2","0.4","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H59 B N2 O -","- C44 H59 B N2 O -","- C176 H236 B4 N8 O4 -","4","1","","Nahon, Emily; Nelmes, Gareth R.; Dallerba, Elena; Lim, Li Feng; Cox, Nicholas; McMullin, Claire L.; Massi, Massimiliano; Kallmeier, Fabian; Hicks, Jamie","Xanthene-to-fluorene skeletal editing <i>via</i> oxygen deletion mediated by boron and aluminium radicals.","Chemical science","2026","17","21","10755","10761","10.1039/d6sc01056c","","x-ray","0.71073","MoKα","","0.0974","0.0559","","","0.1328","0.1517","","","","","","1.033","","","","has coordinates,has disorder","306203","2026-06-04","09:24:35",""
"1577365","14.4733","0.0001","31.7004","0.0003","19.7757","0.0002","90","","103.545","0.001","90","","8820.92","0.14","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C97 H133 B2 N4 O2 -","- C97 H133 B2 N4 O2 -","- C388 H532 B8 N16 O8 -","4","1","","Nahon, Emily; Nelmes, Gareth R.; Dallerba, Elena; Lim, Li Feng; Cox, Nicholas; McMullin, Claire L.; Massi, Massimiliano; Kallmeier, Fabian; Hicks, Jamie","Xanthene-to-fluorene skeletal editing <i>via</i> oxygen deletion mediated by boron and aluminium radicals.","Chemical science","2026","17","21","10755","10761","10.1039/d6sc01056c","","x-ray","1.54184","CuKα","","0.0806","0.0607","","","0.1506","0.1631","","","","","","1.032","","","","has coordinates,has disorder","306203","2026-06-04","09:24:35",""
"1577366","19.0726","0.0003","23.2711","0.0003","21.5661","0.0003","90","","108.806","0.002","90","","9060.9","0.2","150","0.1","150","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C103 H131 B2 Li2 N4 O2 -","- C103 H131 B2 Li2 N4 O2 -","- C412 H524 B8 Li8 N16 O8 -","4","1","","Nahon, Emily; Nelmes, Gareth R.; Dallerba, Elena; Lim, Li Feng; Cox, Nicholas; McMullin, Claire L.; Massi, Massimiliano; Kallmeier, Fabian; Hicks, Jamie","Xanthene-to-fluorene skeletal editing <i>via</i> oxygen deletion mediated by boron and aluminium radicals.","Chemical science","2026","17","21","10755","10761","10.1039/d6sc01056c","","x-ray","1.54184","CuKα","","0.0609","0.0511","","","0.142","0.1504","","","","","","1.066","","","","has coordinates,has disorder","306203","2026-06-04","09:24:35",""
"1577367","21.3971","0.0006","36.2939","0.001","13.2187","0.0004","90","","90.469","0.003","90","","10265.1","0.5","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C112 H142 B2 Br2 Li4 N4 O2 -","- C112 H142 B2 Br2 Li4 N4 O2 -","- C448 H568 B8 Br8 Li16 N16 O8 -","4","1","","Nahon, Emily; Nelmes, Gareth R.; Dallerba, Elena; Lim, Li Feng; Cox, Nicholas; McMullin, Claire L.; Massi, Massimiliano; Kallmeier, Fabian; Hicks, Jamie","Xanthene-to-fluorene skeletal editing <i>via</i> oxygen deletion mediated by boron and aluminium radicals.","Chemical science","2026","17","21","10755","10761","10.1039/d6sc01056c","","x-ray","1.54184","CuKα","","0.1258","0.1066","","","0.2909","0.3123","","","","","","1.198","","","","has coordinates,has disorder","306203","2026-06-04","09:24:35",""
"1577368","10.5889","0.0002","20.4928","0.0003","11.9029","0.0003","90","","111.939","0.002","90","","2395.84","0.09","150.01","0.1","150.01","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C53 H68 B Br N2 O -","- C53 H68 B Br N2 O -","- C106 H136 B2 Br2 N4 O2 -","2","1","","Nahon, Emily; Nelmes, Gareth R.; Dallerba, Elena; Lim, Li Feng; Cox, Nicholas; McMullin, Claire L.; Massi, Massimiliano; Kallmeier, Fabian; Hicks, Jamie","Xanthene-to-fluorene skeletal editing <i>via</i> oxygen deletion mediated by boron and aluminium radicals.","Chemical science","2026","17","21","10755","10761","10.1039/d6sc01056c","","x-ray","1.54184","CuKα","","0.0452","0.0446","","","0.1244","0.1255","","","","","","1.069","","","","has coordinates,has disorder","306203","2026-06-04","09:24:35",""
"1577369","10.5718","0.0002","18.7926","0.0003","15.2111","0.0002","90","","90","","90","","3022.01","0.08","150","0.1","150","0.1","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C67 H90 B Li N2 O3 -","- C67 H90 B Li N2 O3 -","- C134 H180 B2 Li2 N4 O6 -","2","0.5","","Nahon, Emily; Nelmes, Gareth R.; Dallerba, Elena; Lim, Li Feng; Cox, Nicholas; McMullin, Claire L.; Massi, Massimiliano; Kallmeier, Fabian; Hicks, Jamie","Xanthene-to-fluorene skeletal editing <i>via</i> oxygen deletion mediated by boron and aluminium radicals.","Chemical science","2026","17","21","10755","10761","10.1039/d6sc01056c","","x-ray","1.54184","CuKα","","0.0516","0.0474","","","0.1292","0.1331","","","","","","1.058","","","","has coordinates,has disorder","306203","2026-06-04","09:24:35",""
"1577370","13.72471","0.00006","39.48341","0.00013","36.19465","0.00013","90","","97.9261","0.0004","90","","19426.4","0.13","150","0.1","150.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C110.5 H140.5 B2 Li2 N4 O2 -","- C110.5 H140.5 B2 Li2 N4 O2 -","- C884 H1124 B16 Li16 N32 O16 -","8","2","","Nahon, Emily; Nelmes, Gareth R.; Dallerba, Elena; Lim, Li Feng; Cox, Nicholas; McMullin, Claire L.; Massi, Massimiliano; Kallmeier, Fabian; Hicks, Jamie","Xanthene-to-fluorene skeletal editing <i>via</i> oxygen deletion mediated by boron and aluminium radicals.","Chemical science","2026","17","21","10755","10761","10.1039/d6sc01056c","","","1.54184","CuKα","","0.0658","0.0568","","","0.1431","0.1494","","","","","","1.042","","","","has coordinates,has disorder","306203","2026-06-04","09:24:35",""
"1577371","10.7164","0.0003","18.2938","0.0003","41.3527","0.0003","84.219","0.001","89.865","0.002","73.44","0.002","7728.2","0.3","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C59 H74 B F N2 -","- C59 H74 B F N2 -","- C354 H444 B6 F6 N12 -","6","3","","Nahon, Emily; Nelmes, Gareth R.; Dallerba, Elena; Lim, Li Feng; Cox, Nicholas; McMullin, Claire L.; Massi, Massimiliano; Kallmeier, Fabian; Hicks, Jamie","Xanthene-to-fluorene skeletal editing <i>via</i> oxygen deletion mediated by boron and aluminium radicals.","Chemical science","2026","17","21","10755","10761","10.1039/d6sc01056c","","x-ray","1.54184","CuKα","","0.0837","0.0776","","","0.2268","0.2342","","","","","","1.025","","","","has coordinates,has disorder","306203","2026-06-04","09:24:35",""
"1577372","19.3413","0.0004","10.2642","0.0002","48.762","0.0008","90","","90.51","0.002","90","","9680","0.3","150","0.1","150","0.1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C52 H74 B Li N2 O3 -","- C52 H74 B Li N2 O3 -","- C416 H592 B8 Li8 N16 O24 -","8","1","","Nahon, Emily; Nelmes, Gareth R.; Dallerba, Elena; Lim, Li Feng; Cox, Nicholas; McMullin, Claire L.; Massi, Massimiliano; Kallmeier, Fabian; Hicks, Jamie","Xanthene-to-fluorene skeletal editing <i>via</i> oxygen deletion mediated by boron and aluminium radicals.","Chemical science","2026","17","21","10755","10761","10.1039/d6sc01056c","","x-ray","1.54184","CuKα","","0.0822","0.0523","","","0.1253","0.1412","","","","","","1.026","","","","has coordinates,has disorder","306203","2026-06-04","09:24:35",""
"1577373","13.7061","0.0001","14.6893","0.0002","21.4356","0.0003","90","","98.402","0.001","90","","4269.37","0.09","150","0.1","150","0.1","","","","","","","","6","I 1 2 1","I 2y","5","","","","- C92 H122 Al2 K2 N4 O2 -","- C92 H122 Al2 K2 N4 O2 -","- C184 H244 Al4 K4 N8 O4 -","2","0.5","","Nahon, Emily; Nelmes, Gareth R.; Dallerba, Elena; Lim, Li Feng; Cox, Nicholas; McMullin, Claire L.; Massi, Massimiliano; Kallmeier, Fabian; Hicks, Jamie","Xanthene-to-fluorene skeletal editing <i>via</i> oxygen deletion mediated by boron and aluminium radicals.","Chemical science","2026","17","21","10755","10761","10.1039/d6sc01056c","","x-ray","1.54184","CuKα","","0.0547","0.0513","","","0.1355","0.1382","","","","","","1.043","","","","has coordinates,has disorder","306203","2026-06-04","09:24:35",""
"1577374","7.572","0.0002","5.5244","0.0002","20.5726","0.0007","90","","93.618","0.001","90","","858.85","0.05","120","2","120","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1-phenyl-2-oxabicyclo[2.1.1]hexan-3-one","","- C11 H10 O2 -","- C11 H10 O2 -","- C44 H40 O8 -","4","1","","Makarov, Anton S.; Yi, Liang; Maity, Bholanath; Cavallo, Luigi; Rueping, Magnus","Pulsed electrolysis enables unexpected lactonization of bicyclobutane carboxylic acids","Chemical Science","2026","","","","","10.1039/D6SC01541G","","","1.54178","CuKα","","0.0345","0.0328","","","0.0807","0.0818","","","","","","1.032","","","","has coordinates","306219","2026-06-04","22:39:08",""
"1577375","6.3703","0.0002","9.0082","0.0003","9.284","0.0003","69.206","0.001","80.672","0.001","88.246","0.001","491.26","0.03","120","","120","","","","","","","","","4","P -1","-P 1","2","","4-bromo-1-phenyl-2-oxabicyclo[2.1.1]hexan-3-one","","- C11 H9 Br O2 -","- C11 H9 Br O2 -","- C22 H18 Br2 O4 -","2","1","","Makarov, Anton S.; Yi, Liang; Maity, Bholanath; Cavallo, Luigi; Rueping, Magnus","Pulsed electrolysis enables unexpected lactonization of bicyclobutane carboxylic acids","Chemical Science","2026","","","","","10.1039/D6SC01541G","","x-ray","1.54178","CuKα","","0.0193","0.0193","","","0.0457","0.0457","","","","","","1.114","","","","has coordinates","306219","2026-06-04","22:39:08",""
"1577376","37.7","0.16","37.04","0.13","18.21","0.1","90","","94.55","0.07","90","","25348","2","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C273 H162 N24 -","- C273 H162 N24 -","- C1092 H648 N96 -","4","0.5","","Makihara, Shingo; Nakajima, Sae; Sato, Hiroyasu; Oki, Osamu; Kondo, Takahiro; Akanuma, Yuki; Albrecht, Ken; Yamagishi, Hiroshi; Yamamoto, Yohei","A porous van der Waals single-crystal of aromatic dendrimer exhibiting enhanced thermally activated delayed fluorescence.","Nanoscale","2026","18","19","10138","10143","10.1039/d5nr05006e","","electron","0.0251","electron","","0.263","0.171","","","0.4126","0.4733","","","","","","1.137","","","","has coordinates,has disorder","306230","2026-06-05","01:34:59",""
"1577377","15.999","0.003","16.75","0.002","30.139","0.004","86.732","0.012","89.337","0.014","87.829","0.013","8057","2","120","2","120","2","","","","","","","","9","P -1","-P 1","2","","","","- C133 H104 Ag Au12 Cl N5 O3 P6 S5 -","- C133 H104 Ag Au12 Cl N5 O3 P6 S5 -","- C266 H208 Ag2 Au24 Cl2 N10 O6 P12 S10 -","2","1","","Xu, Anqi; Wang, Ye; Hu, Daqiao; Li, Shengli; Xiong, Lin; Jin, Shan; Zhang, Qiong; Zhu, Manzhou","Enhancing multiphoton absorption in atomically precise (AuAg)<sub>13</sub> clusters <i>via</i> 2-/4-mercaptopyridine ligand positional isomerism.","Nanoscale","2026","18","20","10671","10681","10.1039/d6nr00163g","","","1.54186","CuKα","","0.0768","0.0669","","","0.1935","0.2014","","","","","","1.066","","","","has coordinates","306231","2026-06-05","01:35:23",""
"1577378","17.195","0.002","24.605","0.003","34.833","0.004","90","","93.887","0.009","90","","14703","3","120","2","120","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C133 H103 Ag Au12 Cl N5 O3 P6 S5 -","- C133 H104 Ag Au12 Cl N5 O3 P6 S5 -","- C532 H416 Ag4 Au48 Cl4 N20 O12 P24 S20 -","4","1","","Xu, Anqi; Wang, Ye; Hu, Daqiao; Li, Shengli; Xiong, Lin; Jin, Shan; Zhang, Qiong; Zhu, Manzhou","Enhancing multiphoton absorption in atomically precise (AuAg)<sub>13</sub> clusters <i>via</i> 2-/4-mercaptopyridine ligand positional isomerism.","Nanoscale","2026","18","20","10671","10681","10.1039/d6nr00163g","","","1.54186","CuKα","","0.1113","0.0947","","","0.2558","0.2714","","","","","","1.039","","","","has coordinates","306231","2026-06-05","01:35:23",""
"1577379","15.832","0.003","16.707","0.003","29.996","0.005","86.323","0.015","88.797","0.014","87.481","0.015","7909","2","120","2","120","2","","","","","","","","9","P -1","-P 1","2","","","","- C133 H104 Ag6 Au6.39 Cl N5 O3 P6 S5 -","- C133 H104 Ag6 Au6.982 Cl N5 O3 P6 S5 -","- C266 H208 Ag12 Au13.964 Cl2 N10 O6 P12 S10 -","2","1","","Xu, Anqi; Wang, Ye; Hu, Daqiao; Li, Shengli; Xiong, Lin; Jin, Shan; Zhang, Qiong; Zhu, Manzhou","Enhancing multiphoton absorption in atomically precise (AuAg)<sub>13</sub> clusters <i>via</i> 2-/4-mercaptopyridine ligand positional isomerism.","Nanoscale","2026","18","20","10671","10681","10.1039/d6nr00163g","","","1.54186","CuKα","","0.1731","0.1469","","","0.3603","0.3795","","","","","","1.483","","","","has coordinates","306231","2026-06-05","01:35:23",""
"1577380","15.149","0.003","16.597","0.003","29.57","0.006","86.556","0.016","86.473","0.016","88.139","0.016","7404","2","120","2","120","2","","","","","","","","9","P -1","-P 1","2","","","","- C133 H104 Ag6 Au7 Cl0.97 N5 O3 P6 S5 -","- C133 H104 Ag6 Au7 Cl0.97 N5 O3 P6 S5 -","- C266 H208 Ag12 Au14 Cl1.94 N10 O6 P12 S10 -","2","1","","Xu, Anqi; Wang, Ye; Hu, Daqiao; Li, Shengli; Xiong, Lin; Jin, Shan; Zhang, Qiong; Zhu, Manzhou","Enhancing multiphoton absorption in atomically precise (AuAg)<sub>13</sub> clusters <i>via</i> 2-/4-mercaptopyridine ligand positional isomerism.","Nanoscale","2026","18","20","10671","10681","10.1039/d6nr00163g","","","1.54186","CuKα","","0.1249","0.1051","","","0.2776","0.2945","","","","","","1.083","","","","has coordinates","306231","2026-06-05","01:35:23",""
"1577382","10.0178","0.0001","10.0178","0.0001","53.4159","0.0016","90","","90","","90","","5360.62","0.18","199.99","0.1","199.99","0.1","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C34 H26 Br N O -","- C34 H26 Br N O -","- C272 H208 Br8 N8 O8 -","8","1","","An, Mei; Lu, Chuan-Jun; Xie, Fei; Sun, Yin-Jian; Sun, Zhaofeng; Xi, Long-Long; Liu, Ren-Rong","Organocatalytic Asymmetric Synthesis of Atropisomeric Tetraarylethenes: Design, Properties, and Applications","Chemical Science","2026","","","","","10.1039/D6SC03274E","","x-ray","1.54184","CuKα","","0.0543","0.0504","","","0.135","0.1378","","","","","","1.082","","","","has coordinates","306515","2026-06-05","22:27:14",""
"1577383","7.1156","0.0003","17.2446","0.0006","11.3834","0.0004","90","","104.235","0.004","90","","1353.92","0.09","293","","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,4-diamino-6-(4-carboxyphenyl)-1,3,5-triazin-1-ium perchlorate monohydrate","","- C10 H12 Cl N5 O7 -","- C10 H12 Cl N5 O7 -","- C40 H48 Cl4 N20 O28 -","4","1","","Duy Tuan Doan; Thi Linh Giang Hoang; Thi Thom Nguyen; Thierry Maris; Phuong Nguyen-Triv","Functional organic ligands tailored by carboxylic acid and diaminotriazinyl for metal-organic framework preparations","J Mol. Struct","2026","1352","","144349","","10.1016/j.molstruc.2025.144349","","","1.54184","CuKα","","0.0454","0.0384","","","0.0965","0.101","","","","","","1.026","","","","has coordinates,has Fobs","306525","2026-06-09","18:11:31",""
"1577384","19.3873","0.0017","17.518","0.0016","7.5048","0.001","90","","90","","90","","2548.8","0.5","293","","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","2,4-diamino-6-(3-carboxyphenyl)-1,3,5-triazin-1-ium perchlorate","","- C10 H10 Cl N5 O6 -","- C10 H10 Cl N5 O6 -","- C80 H80 Cl8 N40 O48 -","8","1","","Duy Tuan Doan; Thi Linh Giang Hoang; Thi Thom Nguyen; Thierry Maris; Phuong Nguyen-Triv","Functional organic ligands tailored by carboxylic acid and diaminotriazinyl for metal-organic framework preparations","J Mol. Struct","2026","1352","","144349","","10.1016/j.molstruc.2025.144349","","","1.54184","CuKα","","0.0625","0.0531","","","0.1663","0.1775","","","","","","1.102","","","","has coordinates,has Fobs","306526","2026-06-09","18:11:35",""
"1577385","20.1086","0.0011","10.2969","0.0007","6.4819","0.0005","90","","91.571","0.006","90","","1341.61","0.16","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,6-diamino-4-(5-carboxypyridin-1-ium-2-yl)-1,3,5-triazin-1-ium dinitrate","","- C9 H10 N8 O8 -","- C9 H10 N8 O8 -","- C36 H40 N32 O32 -","4","1","","Duy Tuan Doan; Thi Linh Giang Hoang; Thi Thom Nguyen; Thierry Maris; Phuong Nguyen-Triv","Functional organic ligands tailored by carboxylic acid and diaminotriazinyl for metal-organic framework preparations","J Mol. Struct","2026","1352","","144349","","10.1016/j.molstruc.2025.144349","","","1.54184","CuKα","","0.0492","0.0438","","","0.1163","0.12","","","","","","1.126","","","","has coordinates,has disorder,has Fobs","306527","2026-06-09","18:11:48",""
"1577386","8.1019","0.0006","9.483","0.0006","10.3133","0.0006","65.665","0.006","69.956","0.006","80.086","0.006","677.8","0.09","293","","293","","","","","","","","","4","P -1","-P 1","2","","2,6-diamino-4-(4-carboxypyridin-1-ium-2-yl)-1,3,5-triazin-1-ium dinitrate","","- C9 H10 N8 O8 -","- C9 H10 N8 O8 -","- C18 H20 N16 O16 -","2","1","","Duy Tuan Doan; Thi Linh Giang Hoang; Thi Thom Nguyen; Thierry Maris; Phuong Nguyen-Triv","Functional organic ligands tailored by carboxylic acid and diaminotriazinyl for metal-organic framework preparations","J Mol. Struct","2026","1352","","144349","","10.1016/j.molstruc.2025.144349","","x-ray","1.54184","CuKα","","0.0496","0.0412","","","0.1046","0.1095","","","","","","1.062","","","","has coordinates,has Fobs","306528","2026-06-09","18:11:51",""
"1577387","21.6216","0.0007","11.8804","0.0004","6.6638","0.0002","90","","90","","90","","1711.75","0.1","293","","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","2,4-diamino-6-(3,5-dicarboxyphenyl)-1,3,5-triazine-1,3-diium diperchlorate","","- C11 H11 Cl2 N5 O12 -","- C11 H11 Cl2 N5 O12 -","- C44 H44 Cl8 N20 O48 -","4","0.5","","Duy Tuan Doan; Thi Linh Giang Hoang; Thi Thom Nguyen; Thierry Maris; Phuong Nguyen-Triv","Functional organic ligands tailored by carboxylic acid and diaminotriazinyl for metal-organic framework preparations","J Mol. Struct","2026","1352","","144349","","10.1016/j.molstruc.2025.144349","","","1.54184","CuKα","","0.0554","0.0521","","","0.1407","0.1434","","","","","","1.156","","","","has coordinates,has disorder,has Fobs","306529","2026-06-09","18:12:11",""
"1577388","17.6006","0.0007","18.2073","0.0008","21.6851","0.0009","90","","90","","90","","6949.2","0.5","150","","150","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","catena-[bis(m-2-(4,6-diamino-1,3,5-triazin-2-yl)pyridine-4-carboxylato)-manganese N,N-dimethylformamide solvate]","","- C27 H35 Mn N15 O7 -","- C27 H35 Mn N15 O7 -","- C216 H280 Mn8 N120 O56 -","8","1","","Duy Tuan Doan; Thi Linh Giang Hoang; Thi Thom Nguyen; Thierry Maris; Phuong Nguyen-Triv","Functional organic ligands tailored by carboxylic acid and diaminotriazinyl for metal-organic framework preparations","J Mol. Struct","2026","1352","","144349","","10.1016/j.molstruc.2025.144349","","x-ray","1.34139","GaKα","","0.1304","0.0666","","","0.1657","0.2021","","","","","","1.039","","","","has coordinates,has Fobs","306530","2026-06-09","18:12:19",""
"1577389","24.3079","0.0009","11.5688","0.0003","36.6542","0.0011","90","","101.743","0.002","90","","10091.9","0.6","296.15","","296.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C59 H59 N3 O2 P2 Ru -","- C59 H59 N3 O2 P2 Ru -","- C472 H472 N24 O16 P16 Ru8 -","8","1","","Singh, Ovender; Kim, Youngsuk; Chauhan, Rahul; Lee, Junseong; Tyagi, Nidhi","Ruthenium hydride catalyzed α-alkylation of ketones with primary alcohols for access to bioactive molecules using the borrowing hydrogen approach","Catalysis Science & Technology","2026","","","","","10.1039/D5CY01446H","","","0.71073","MoKα","","0.0556","0.0445","","","0.0966","0.1017","","","","","","1.0591","","","","has coordinates","306534","2026-06-09","21:45:30",""
"1577390","13.3502","0.0002","13.3502","0.0002","7.3339","0.0002","90","","90","","90","","1307.11","0.05","100","0.3","100","0.3","","","","","","","","4","I -4","I -4","82","","Tetrakis(4-(methylthio)phenyl)silane","","- C28 H28 S4 Si -","- C28 H28 S4 Si -","- C56 H56 S8 Si2 -","2","0.25","","Zagami, Luana; Sharma, Mukund; Fraire, Andrew; Avedian, Cynthia; Olivar, Clarissa; Czyszczon-Burton, Thomas M.; Prana, Jazmine; Yergeshbayeva, Sandugash; Camarasa-Gómez, María; Hernangómez-Pérez, Daniel; Inkpen, Michael Stephen","Enhanced electronic coupling in tetraaryl molecular junctions with osmium(IV) centers","Chemical Science","2026","","","","","10.1039/D6SC03527B","","x-ray","1.54184","CuKα","","0.027","0.0262","","","0.0684","0.0692","","","","","","1.054","","","","has coordinates","306553","2026-06-11","22:15:24",""
"1577391","10.7958","0.0003","15.2749","0.0004","14.0351","0.0004","90","","108.852","0.003","90","","2190.3","0.11","276.36","0.1","276.36","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H27 B O -","- C28 H27 B O -","- C112 H108 B4 O4 -","4","1","","Li, Hai-Jun; Xi, Biying; Jing, Hui-Xian; Li, Xin; Jia, Hongnan; Fan, Manman; Zhu, Weiguo; Feng, Rui; Hao, Baorui; Li, Shi-Jun; Yu, Bing; Lan, Yu; Du, Jingzhen","Photo-Induced Terminal Alkyne Insertion into Arene Ring to Synthesize Boron-Doped Polycycles","Chemical Science","2026","","","","","10.1039/D6SC02310J","","x-ray","0.71073","MoKα","","0.0543","0.0447","","","0.1293","0.1357","","","","","","1.101","","","","has coordinates","306559","2026-06-12","22:11:39",""
"1577392","8.233","0.0005","11.8475","0.0008","11.8841","0.0008","91.103","0.002","101.962","0.002","98.061","0.002","1121.41","0.13","293","0.1","293","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C28 H27 B O -","- C28 H27 B O -","- C56 H54 B2 O2 -","2","1","","Li, Hai-Jun; Xi, Biying; Jing, Hui-Xian; Li, Xin; Jia, Hongnan; Fan, Manman; Zhu, Weiguo; Feng, Rui; Hao, Baorui; Li, Shi-Jun; Yu, Bing; Lan, Yu; Du, Jingzhen","Photo-Induced Terminal Alkyne Insertion into Arene Ring to Synthesize Boron-Doped Polycycles","Chemical Science","2026","","","","","10.1039/D6SC02310J","","","0.71073","MoKα","","0.0829","0.0601","","","0.1636","0.1936","","","","","","1.023","","","","has coordinates","306559","2026-06-12","22:11:39",""
"1577393","12.1969","0.0005","9.4547","0.0004","19.6469","0.0007","90","","94.155","0.003","90","","2259.69","0.16","150","0.1","150","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H27 B S -","- C28 H27 B S -","- C112 H108 B4 S4 -","4","1","","Li, Hai-Jun; Xi, Biying; Jing, Hui-Xian; Li, Xin; Jia, Hongnan; Fan, Manman; Zhu, Weiguo; Feng, Rui; Hao, Baorui; Li, Shi-Jun; Yu, Bing; Lan, Yu; Du, Jingzhen","Photo-Induced Terminal Alkyne Insertion into Arene Ring to Synthesize Boron-Doped Polycycles","Chemical Science","2026","","","","","10.1039/D6SC02310J","","x-ray","0.71073","MoKα","","0.0736","0.0613","","","0.1673","0.1778","","","","","","1.054","","","","has coordinates","306559","2026-06-12","22:11:39",""
"1577394","8.0595","0.0003","8.1715","0.0003","17.1081","0.0006","85.126","0.003","80.824","0.003","66.849","0.004","1022.41","0.07","150","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C24 H25 B S -","- C24 H25 B S -","- C48 H50 B2 S2 -","2","1","","Li, Hai-Jun; Xi, Biying; Jing, Hui-Xian; Li, Xin; Jia, Hongnan; Fan, Manman; Zhu, Weiguo; Feng, Rui; Hao, Baorui; Li, Shi-Jun; Yu, Bing; Lan, Yu; Du, Jingzhen","Photo-Induced Terminal Alkyne Insertion into Arene Ring to Synthesize Boron-Doped Polycycles","Chemical Science","2026","","","","","10.1039/D6SC02310J","","x-ray","0.71073","MoKα","","0.0677","0.057","","","0.1638","0.1718","","","","","","1.067","","","","has coordinates","306559","2026-06-12","22:11:39",""
"1577395","14.9556","0.0006","8.5043","0.0003","35.3077","0.0013","90","","92.61","0.003","90","","4486","0.3","150","0.1","150","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C28 H27 B S -","- C28 H27 B S -","- C224 H216 B8 S8 -","8","1","","Li, Hai-Jun; Xi, Biying; Jing, Hui-Xian; Li, Xin; Jia, Hongnan; Fan, Manman; Zhu, Weiguo; Feng, Rui; Hao, Baorui; Li, Shi-Jun; Yu, Bing; Lan, Yu; Du, Jingzhen","Photo-Induced Terminal Alkyne Insertion into Arene Ring to Synthesize Boron-Doped Polycycles","Chemical Science","2026","","","","","10.1039/D6SC02310J","","x-ray","0.71073","MoKα","","0.0663","0.0453","","","0.1139","0.1229","","","","","","1.073","","","","has coordinates","306559","2026-06-12","22:11:39",""
"1577396","14.4423","0.0004","9.4845","0.0003","15.6063","0.0006","90","","111.175","0.004","90","","1993.38","0.13","180","0.1","180","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H25 B S -","- C24 H25 B S -","- C96 H100 B4 S4 -","4","1","","Li, Hai-Jun; Xi, Biying; Jing, Hui-Xian; Li, Xin; Jia, Hongnan; Fan, Manman; Zhu, Weiguo; Feng, Rui; Hao, Baorui; Li, Shi-Jun; Yu, Bing; Lan, Yu; Du, Jingzhen","Photo-Induced Terminal Alkyne Insertion into Arene Ring to Synthesize Boron-Doped Polycycles","Chemical Science","2026","","","","","10.1039/D6SC02310J","","x-ray","0.71073","MoKα","","0.0587","0.0452","","","0.1225","0.1298","","","","","","1.063","","","","has coordinates","306559","2026-06-12","22:11:39",""
"1577397","16.9864","0.0005","14.6975","0.0004","8.4759","0.0003","90","","98.901","0.003","90","","2090.59","0.11","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H27 B S -","- C25 H27 B S -","- C100 H108 B4 S4 -","4","1","","Li, Hai-Jun; Xi, Biying; Jing, Hui-Xian; Li, Xin; Jia, Hongnan; Fan, Manman; Zhu, Weiguo; Feng, Rui; Hao, Baorui; Li, Shi-Jun; Yu, Bing; Lan, Yu; Du, Jingzhen","Photo-Induced Terminal Alkyne Insertion into Arene Ring to Synthesize Boron-Doped Polycycles","Chemical Science","2026","","","","","10.1039/D6SC02310J","","x-ray","0.71073","MoKα","","0.057","0.0433","","","0.1186","0.1255","","","","","","1.074","","","","has coordinates","306559","2026-06-12","22:11:39",""
"1577398","8.2159","0.0004","11.6107","0.0007","12.034","0.0008","87.512","0.005","82.495","0.005","74.927","0.005","1098.91","0.12","293","0.1","293","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C25 H27 B S -","- C25 H27 B S -","- C50 H54 B2 S2 -","2","1","","Li, Hai-Jun; Xi, Biying; Jing, Hui-Xian; Li, Xin; Jia, Hongnan; Fan, Manman; Zhu, Weiguo; Feng, Rui; Hao, Baorui; Li, Shi-Jun; Yu, Bing; Lan, Yu; Du, Jingzhen","Photo-Induced Terminal Alkyne Insertion into Arene Ring to Synthesize Boron-Doped Polycycles","Chemical Science","2026","","","","","10.1039/D6SC02310J","","x-ray","1.54184","CuKα","","0.0662","0.0562","","","0.1606","0.1754","","","","","","1.053","","","","has coordinates","306559","2026-06-12","22:11:39",""
"1577399","8.0059","0.0003","7.6326","0.0003","19.6494","0.0008","90","","96.704","0.003","90","","1192.48","0.08","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 N4 -","- C14 H12 N4 -","- C56 H48 N16 -","4","1","","Hogan, David Thomas; Krappe, Alexander R.; Feyerherm, R.; Weber, Manuela; Resch-Genger, Ute; Eigler, Siegfried","Large Stokes shift fluorophores from meta-substituted zwitterions","Chemical Science","2026","","","","","10.1039/D6SC03405E","","","1.54178","CuKα","","0.067","0.0593","","","0.1355","0.1425","","","","","","1.079","","","","has coordinates","306586","2026-06-17","22:23:21",""
"1577400","9.319","0.001","13.967","0.002","11.368","0.001","90","","105.3","0.01","90","","1427.2","0.3","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 N4 -","- C18 H14 N4 -","- C72 H56 N16 -","4","1","","Hogan, David Thomas; Krappe, Alexander R.; Feyerherm, R.; Weber, Manuela; Resch-Genger, Ute; Eigler, Siegfried","Large Stokes shift fluorophores from meta-substituted zwitterions","Chemical Science","2026","","","","","10.1039/D6SC03405E","","","1.54178","CuKα","","0.1209","0.0948","","","0.2417","0.2616","","","","","","1.052","","","","has coordinates","306586","2026-06-17","22:23:21",""
"1577401","13.90861","0.00009","8.59323","0.00006","10.50182","0.00007","90","","90","","90","","1255.18","0.015","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C14 H12 N4 -","- C14 H12 N4 -","- C56 H48 N16 -","4","1","","Hogan, David Thomas; Krappe, Alexander R.; Feyerherm, R.; Weber, Manuela; Resch-Genger, Ute; Eigler, Siegfried","Large Stokes shift fluorophores from meta-substituted zwitterions","Chemical Science","2026","","","","","10.1039/D6SC03405E","","","1.54178","CuKα","","0.03","0.0291","","","0.0748","0.0761","","","","","","1.043","","","","has coordinates","306586","2026-06-17","22:23:21",""
"1577402","7.6087","0.0004","12.681","0.0008","18.7415","0.0011","90","","90","","90","","1808.29","0.18","149","2","149","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H16 Cl2 N4 -","- C19 H16 Cl2 N4 -","- C76 H64 Cl8 N16 -","4","1","","Hogan, David Thomas; Krappe, Alexander R.; Feyerherm, R.; Weber, Manuela; Resch-Genger, Ute; Eigler, Siegfried","Large Stokes shift fluorophores from meta-substituted zwitterions","Chemical Science","2026","","","","","10.1039/D6SC03405E","","","1.54178","CuKα","","0.0827","0.0515","","","0.1111","0.1234","","","","","","1.037","","","","has coordinates","306586","2026-06-17","22:23:21",""
"1577403","9.7276","0.0003","7.63087","0.00019","16.6784","0.0005","90","","105.133","0.003","90","","1195.11","0.06","99.97","0.1","99.97","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H7 Br F3 N O -","- C13 H7 Br F3 N O -","- C52 H28 Br4 F12 N4 O4 -","4","1","","Wang, Haiwen; Bhaduri, Nilanjan; Greaney, Michael F.","Trifluoromethylation of pyridines through skeletal rearrangement","Chemical Science","2026","","","","","10.1039/D6SC04438G","","x-ray","1.54184","CuKα","","0.0505","0.043","","","0.1153","0.1198","","","","","","1.081","","","","has coordinates","306587","2026-06-17","22:23:47",""
"1577404","6.3172","0.0003","9.4347","0.0004","13.0054","0.0005","104.381","0.003","101.852","0.004","95.556","0.004","725.85","0.06","99.98","0.1","99.98","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C19 H10 F3 N O2 -","- C19 H10 F3 N O2 -","- C38 H20 F6 N2 O4 -","2","1","","Wang, Haiwen; Bhaduri, Nilanjan; Greaney, Michael F.","Trifluoromethylation of pyridines through skeletal rearrangement","Chemical Science","2026","","","","","10.1039/D6SC04438G","","x-ray","1.54184","CuKα","","0.0494","0.0405","","","0.1043","0.1091","","","","","","1.048","","","","has coordinates","306587","2026-06-17","22:23:47",""
"1577405","8.394","0.0002","21.4396","0.0005","9.312","0.0002","90","","90.923","0.002","90","","1675.61","0.07","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H14 F3 N O2 -","- C20 H14 F3 N O2 -","- C80 H56 F12 N4 O8 -","4","1","","Wang, Haiwen; Bhaduri, Nilanjan; Greaney, Michael F.","Trifluoromethylation of pyridines through skeletal rearrangement","Chemical Science","2026","","","","","10.1039/D6SC04438G","","x-ray","1.54184","CuKα","","0.0475","0.0374","","","0.0956","0.1015","","","","","","1.051","","","","has coordinates,has disorder","306587","2026-06-17","22:23:47",""
"1577406","8.36426","0.00013","25.5739","0.0004","9.21252","0.00014","90","","91.2344","0.0014","90","","1970.16","0.05","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H14 F3 N O S -","- C25 H14 F3 N O S -","- C100 H56 F12 N4 O4 S4 -","4","1","","Wang, Haiwen; Bhaduri, Nilanjan; Greaney, Michael F.","Trifluoromethylation of pyridines through skeletal rearrangement","Chemical Science","2026","","","","","10.1039/D6SC04438G","","x-ray","1.54184","CuKα","","0.048","0.0375","","","0.0895","0.0943","","","","","","1.048","","","","has coordinates","306587","2026-06-17","22:23:47",""
"1577407","10.69639","0.00017","11.34198","0.00017","21.1345","0.0003","90","","90","","90","","2564","0.07","100","0.1","100","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C14 H10 Cl F2 N O2 -","- C14 H10 Cl F2 N O2 -","- C112 H80 Cl8 F16 N8 O16 -","8","1","","Wang, Haiwen; Bhaduri, Nilanjan; Greaney, Michael F.","Trifluoromethylation of pyridines through skeletal rearrangement","Chemical Science","2026","","","","","10.1039/D6SC04438G","","x-ray","1.54184","CuKα","","0.0334","0.0296","","","0.0779","0.0799","","","","","","1.085","","","","has coordinates","306587","2026-06-17","22:23:47",""
"1577408","6.0757","0.0001","24.4204","0.0005","7.3631","0.0002","90","","111.53","0.003","90","","1016.24","0.04","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H9 N O3 -","- C13 H9 N O3 -","- C52 H36 N4 O12 -","4","2","","Wang, Haiwen; Bhaduri, Nilanjan; Greaney, Michael F.","Trifluoromethylation of pyridines through skeletal rearrangement","Chemical Science","2026","","","","","10.1039/D6SC04438G","","x-ray","1.54184","CuKα","","0.0296","0.0288","","","0.0788","0.0794","","","","","","1.063","","","","has coordinates","306587","2026-06-17","22:23:47",""
"1577409","9.6528","0.0004","7.5835","0.0003","16.5958","0.0006","90","","105.477","0.004","90","","1170.79","0.08","99.99","0.1","99.99","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H7 Cl F3 N O -","- C13 H7 Cl F3 N O -","- C52 H28 Cl4 F12 N4 O4 -","4","1","","Wang, Haiwen; Bhaduri, Nilanjan; Greaney, Michael F.","Trifluoromethylation of pyridines through skeletal rearrangement","Chemical Science","2026","","","","","10.1039/D6SC04438G","","x-ray","1.54184","CuKα","","0.0504","0.039","","","0.0922","0.0972","","","","","","1.057","","","","has coordinates","306587","2026-06-17","22:23:47",""
"1577410","31.5336","0.0003","35.2182","0.0004","8.0829","0.0001","90","","90","","90","","8976.52","0.17","99.99","0.1","99.99","0.1","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C19 H12 F3 N O -","- C19 H12 F3 N O -","- C456 H288 F72 N24 O24 -","24","3","","Wang, Haiwen; Bhaduri, Nilanjan; Greaney, Michael F.","Trifluoromethylation of pyridines through skeletal rearrangement","Chemical Science","2026","","","","","10.1039/D6SC04438G","","x-ray","1.54184","CuKα","","0.0362","0.0324","","","0.0772","0.079","","","","","","1.037","","","","has coordinates","306587","2026-06-17","22:23:47",""
"1577411","14.7181","0.0002","7.14966","0.00009","15.2683","0.0002","90","","108.691","0.0014","90","","1521.94","0.04","99.98","0.1","99.98","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H11 F3 N2 O2 -","- C19 H11 F3 N2 O2 -","- C76 H44 F12 N8 O8 -","4","1","","Wang, Haiwen; Bhaduri, Nilanjan; Greaney, Michael F.","Trifluoromethylation of pyridines through skeletal rearrangement","Chemical Science","2026","","","","","10.1039/D6SC04438G","","x-ray","1.54184","CuKα","","0.0359","0.033","","","0.0836","0.0856","","","","","","1.043","","","","has coordinates","306587","2026-06-17","22:23:47",""
"1577412","10.2927","0.0001","20.50005","0.00019","18.53109","0.00019","90","","90.1212","0.0009","90","","3910.07","0.07","99.98","0.1","99.98","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H23 N O -","- C25 H23 N O -","- C200 H184 N8 O8 -","8","2","","Wang, Haiwen; Bhaduri, Nilanjan; Greaney, Michael F.","Trifluoromethylation of pyridines through skeletal rearrangement","Chemical Science","2026","","","","","10.1039/D6SC04438G","","x-ray","1.54184","CuKα","","0.051","0.0405","","","0.0991","0.1047","","","","","","1.019","","","","has coordinates","306587","2026-06-17","22:23:47",""
"1577413","3.94042","0.0001","3.94042","0.0001","15.3319","0.0007","90","","90","","90","","238.057","0.014","293","","293","","","","","","","","","5","P 4/n m m :1","P 4ab 2ab -1ab","129","sodium lanthanum titanium oxysulfide","","","- La2 Na2 O4.301 S3.699 Ti2 -","- La2 Na2 O4.3 S3.7 Ti2 -","- La2 Na2 O4.3 S3.7 Ti2 -","1","0.0625","","Ishii, Yusuke; Hanafusa, Chisato; Suzuki, Hajime; Kato, Daichi; Tomita, Osamu; Nakada, Akinobu; Nozawa, Shunsuke; Saeki, Akinori; Abe, Ryu","Design of active interlayer space in layered oxysulfide photocatalysts NaMTiO2.2S1.8(M = lanthanoid) for efficient visible light hydrogen evolution","Chemical Science","2026","","","","","10.1039/D6SC02806C","powder diffraction","x-ray","0.41393","synchrotron","","0.0449","0.0353","","0.0334","0.0319","","","","1.41","","","","","","","has coordinates","306588","2026-06-17","22:24:13",""
"1577414","3.90102","0.00012","3.90102","0.00012","15.2626","0.0009","90","","90","","90","","232.266","0.017","293","","293","","","","","","","","","5","P 4/n m m :1","P 4ab 2ab -1ab","129","sodium praseodymium titanium oxysulfide","","","- Na2 O4.43 Pr2 S3.57 Ti2 -","- Na2 O4.44 Pr2 S3.56 Ti2 -","- Na2 O4.44 Pr2 S3.56 Ti2 -","1","0.0625","","Ishii, Yusuke; Hanafusa, Chisato; Suzuki, Hajime; Kato, Daichi; Tomita, Osamu; Nakada, Akinobu; Nozawa, Shunsuke; Saeki, Akinori; Abe, Ryu","Design of active interlayer space in layered oxysulfide photocatalysts NaMTiO2.2S1.8(M = lanthanoid) for efficient visible light hydrogen evolution","Chemical Science","2026","","","","","10.1039/D6SC02806C","powder diffraction","x-ray","0.41393","synchrotron","","0.0354","0.0353","","0.0408","0.0408","","","","1.99","","","","","","","has coordinates","306588","2026-06-17","22:24:13",""
"1577415","3.84397","0.00007","3.84397","0.00007","15.1563","0.0006","90","","90","","90","","223.951","0.011","293","","293","","","","","","","","","5","P 4/n m m :1","P 4ab 2ab -1ab","129","sodium gadolinium titanium oxysulfide","","","- Gd2 Na2 O4.463 S3.537 Ti2 -","- Gd2 Na2 O4.46 S3.54 Ti2 -","- Gd2 Na2 O4.46 S3.54 Ti2 -","1","0.0625","","Ishii, Yusuke; Hanafusa, Chisato; Suzuki, Hajime; Kato, Daichi; Tomita, Osamu; Nakada, Akinobu; Nozawa, Shunsuke; Saeki, Akinori; Abe, Ryu","Design of active interlayer space in layered oxysulfide photocatalysts NaMTiO2.2S1.8(M = lanthanoid) for efficient visible light hydrogen evolution","Chemical Science","2026","","","","","10.1039/D6SC02806C","powder diffraction","x-ray","0.41393","synchrotron","","0.0371","0.036","","0.0348","0.0347","","","","1.34","","","","","","","has coordinates","306588","2026-06-17","22:24:13",""
"1577416","3.85471","0.00007","3.85471","0.00007","15.2154","0.0005","90","","90","","90","","226.082","0.009","293","","293","","","","","","","","","5","P 4/n m m :1","P 4ab 2ab -1ab","129","sodium europium titanium oxysulfide","","","- Eu2 Na2 O4.436 S3.564 Ti2 -","- Eu2 Na2 O4.44 S3.56 Ti2 -","- Eu2 Na2 O4.44 S3.56 Ti2 -","1","0.0625","","Ishii, Yusuke; Hanafusa, Chisato; Suzuki, Hajime; Kato, Daichi; Tomita, Osamu; Nakada, Akinobu; Nozawa, Shunsuke; Saeki, Akinori; Abe, Ryu","Design of active interlayer space in layered oxysulfide photocatalysts NaMTiO2.2S1.8(M = lanthanoid) for efficient visible light hydrogen evolution","Chemical Science","2026","","","","","10.1039/D6SC02806C","powder diffraction","x-ray","0.41405","synchrotron","","0.0368","0.0356","","0.0348","0.0344","","","","1.48","","","","","","","has coordinates","306588","2026-06-17","22:24:13",""
"1577417","9.5297","0.0002","8.1356","0.0002","11.0854","0.0003","90","","108.274","0.002","90","","816.11","0.04","180","0.1","180","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H20 F2 O Si -","- C17 H20 F2 O Si -","- C34 H40 F4 O2 Si2 -","2","1","","Liu, Lichuan; Chen, Xingliang; Guan, Guiyu; Su, Xinyue; Liu, Mengqing; Hu, Yuefei; He, Wei; Zhang, Linxing; Ma, Wenpeng; An, Kun","Rhodium-Catalyzed Enantioselective Intermolecular C–H Silylation of Simple Arenes: Synergistic Substituent Effects Overcome Silane Redistribution to Enable Synthesis of Si-Stereogenic Arylsilanes","Chemical Science","2026","","","","","10.1039/D6SC01404F","","x-ray","1.54184","CuKα","","0.0319","0.0289","","","0.0784","0.0859","","","","","","1.073","","","","has coordinates","306593","2026-06-18","22:14:10",""
"1577418","7.212","0.0001","9.4888","0.0001","22.3464","0.0002","90","","90","","90","","1529.24","0.03","180","0.1","180","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 F2 O Si -","- C16 H18 F2 O Si -","- C64 H72 F8 O4 Si4 -","4","1","","Liu, Lichuan; Chen, Xingliang; Guan, Guiyu; Su, Xinyue; Liu, Mengqing; Hu, Yuefei; He, Wei; Zhang, Linxing; Ma, Wenpeng; An, Kun","Rhodium-Catalyzed Enantioselective Intermolecular C–H Silylation of Simple Arenes: Synergistic Substituent Effects Overcome Silane Redistribution to Enable Synthesis of Si-Stereogenic Arylsilanes","Chemical Science","2026","","","","","10.1039/D6SC01404F","","x-ray","1.54184","CuKα","","0.0246","0.0225","","","0.0617","0.0625","","","","","","1.051","","","","has coordinates","306593","2026-06-18","22:14:10",""
"1577419","33.0493","0.0012","18.1817","0.0006","57.8908","0.0019","90","","96.052","0.001","90","","34592","2","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C189 H118 Cl10 N36 O5 -","- C189 H118 Cl10 N36 O5 -","- C1512 H944 Cl80 N288 O40 -","8","1","","Patra, Suman; Ghosh, Soumili; Samanta, Soumya; Maurya, Nisha; Das, Somnath; Dey, Abhishek","Enhanced and Selective Oxygen Reduction by Iron porphyrin with a Biguanidine Residue in the Second Coordination Sphere","Chemical Science","2026","","","","","10.1039/D6SC03084J","","","0.71073","MoKα","","0.186","0.0989","","","0.2657","0.3292","","","","","","1.031","","","","has coordinates,has disorder","306594","2026-06-18","22:14:20",""
"1577420","14.9752","0.0006","12.274","0.0006","17.4233","0.0009","90","","91.784","0.004","90","","3200.9","0.3","273","","273","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C43 H36 N2 O -","- C43 H36 N2 O -","- C172 H144 N8 O4 -","4","0.5","","Gong, Yanxiang; Jia, Yiran; Yang, Jie; Zhang, Jun; Xia, Meng; Wang, Xi-Yang; Wang, Yunsheng; Tao, Ying; Fang, Manman; Yang, Quan-Hong; Zhong Tang, Ben; Li, Zhen","Inhibition of shuttle effect in organic cathode and in situ mechanistic exploration","Energy & Environmental Science","2026","","","","","10.1039/D6EE00605A","","x-ray","1.54184","CuKα","","0.0996","0.0761","","","0.2163","0.2492","","","","","","1.078","","","","has coordinates","306597","2026-06-18","23:15:13",""
"1577421","8.0841","0.0003","15.6107","0.0007","25.5418","0.0012","90","","90.58","0.002","90","","3223.2","0.2","296.15","","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C43 H34 N2 O -","- C43 H34 N2 O -","- C172 H136 N8 O4 -","4","1","","Gong, Yanxiang; Jia, Yiran; Yang, Jie; Zhang, Jun; Xia, Meng; Wang, Xi-Yang; Wang, Yunsheng; Tao, Ying; Fang, Manman; Yang, Quan-Hong; Zhong Tang, Ben; Li, Zhen","Inhibition of shuttle effect in organic cathode and in situ mechanistic exploration","Energy & Environmental Science","2026","","","","","10.1039/D6EE00605A","","","0.71073","MoKα","","0.0756","0.0547","","","0.1253","0.1369","","","","","","1.055","","","","has coordinates","306597","2026-06-18","23:15:13",""
"1577422","9.05","0.0005","10.1861","0.0006","17.6061","0.0011","79.961","0.002","89.075","0.002","74.594","0.002","1539.95","0.16","296.15","","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C43 H34 N2 O -","- C43 H34 N2 O -","- C86 H68 N4 O2 -","2","1","","Gong, Yanxiang; Jia, Yiran; Yang, Jie; Zhang, Jun; Xia, Meng; Wang, Xi-Yang; Wang, Yunsheng; Tao, Ying; Fang, Manman; Yang, Quan-Hong; Zhong Tang, Ben; Li, Zhen","Inhibition of shuttle effect in organic cathode and in situ mechanistic exploration","Energy & Environmental Science","2026","","","","","10.1039/D6EE00605A","","","0.71073","MoKα","","0.0726","0.0566","","","0.1395","0.1517","","","","","","1.056","","","","has coordinates","306597","2026-06-18","23:15:13",""
"1577423","19.1237","0.0008","19.9019","0.001","32.3253","0.0015","81.236","0.002","85.898","0.001","65.669","0.002","11078.8","0.9","170","","170","","","","","","","","","7","P -1","-P 1","2","","","","- C412 H288 Cl2 Cu50 F72 P S -","- C402 H276 Cu50 F72 P6 S36 -","- C402 H276 Cu50 F72 P6 S36 -","1","0.5","","Xiang, Zongchen; Zuo, Yang; Zhai, Xinru; Ma, Along; Zhu, Yu; Kang, Yikun; Ma, Xiaoshuang; Wang, Shuxin","Ligand-Controlled Engineering of Cu–H Active Sites on Cu25 Hydride Nanoclusters for Efficient CO2 Electroreduction","Nanoscale","2026","","","","","10.1039/D6NR01258B","","","0.71073","MoKα","","0.0637","0.0421","","","0.1188","0.1266","","","","","","1.077","","","","has coordinates,has disorder","306607","2026-06-21","00:16:50",""
"1577424","14.1522","0.0003","21.2157","0.0007","8.3685","0.0002","90","","95.756","0.002","90","","2499.96","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-(5-chloro-2,4'-dioxo-1',4'-dihydro-3'H-spiro[indoline-3,2'-quinazolin]-3'-yl)benzamide","","- C26 H23 Cl N4 O5 -","- C26 H23 Cl N4 O5 -","- C104 H92 Cl4 N16 O20 -","4","1","","Zameer, Nazia; Mustafa, Atif; Siddiqui, Zeba N.","Phosphotungstic acid-doped covalent triazine framework as a bifunctional heterogeneous catalyst for one-pot multicomponent synthesis of spiro-quinazolinones under green reaction conditions","Catalysis Science & Technology","2026","","","","","10.1039/D6CY00252H","","","0.71073","MoKα","","0.0748","0.0523","","","0.1394","0.1529","","","","","","1.08","","","","has coordinates","306617","2026-06-23","21:42:49",""
"1577425","7.2453","0.00004","11.54662","0.00006","17.00452","0.00009","90","","90","","90","","1422.58","0.013","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H14 Cl N O3 -","- C17 H14 Cl N O3 -","- C68 H56 Cl4 N4 O12 -","4","1","","Tian, Peilin; Saraiva Câmara, Viktor; Valentine, Margarita; Tinkler, Andrew P.; Crumpton, Agamemnon E.; Anderson, Edward A.","Enantioselective Titanium-Catalyzed Cycloadditions of Thiophene-S,S-Dioxides with Indenes","Chemical Science","2026","","","","","10.1039/D6SC01387B","","","1.54184","CuKα","","0.0228","0.0223","","0.0571","0.0567","0.0571","","","","","","1.0089","","","","has coordinates","306637","2026-06-24","23:06:42",""
"1577426","10.9725","0.0001","6.5218","0.0001","14.0224","0.0001","90","","95.9999","0.0008","90","","997.952","0.019","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H6 Cl N O5 S -","- C8 H6 Cl N O5 S -","- C32 H24 Cl4 N4 O20 S4 -","4","1","","Tian, Peilin; Saraiva Câmara, Viktor; Valentine, Margarita; Tinkler, Andrew P.; Crumpton, Agamemnon E.; Anderson, Edward A.","Enantioselective Titanium-Catalyzed Cycloadditions of Thiophene-S,S-Dioxides with Indenes","Chemical Science","2026","","","","","10.1039/D6SC01387B","","","1.54184","CuKα","","0.035","0.0341","","0.086","0.0853","0.086","","","","","","1.0031","","","","has coordinates","306637","2026-06-24","23:06:42",""
"1577427","8.4062","0.0002","25.5135","0.0006","12.4658","0.0003","90","","93.782","0.002","90","","2667.74","0.11","93","","93","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H34 Cl2 Mn N3 O2 -","- C28 H34 Cl2 Mn N3 O2 -","- C112 H136 Cl8 Mn4 N12 O8 -","4","1","","Yamazaki, Yasuomi; Wang, Qiubo; Tanabe, Yoshiaki; Nishibayashi, Yoshiaki","Visible-Light-Driven Ruthenium-Catalyzed Hydrogenation of Manganese Nitride Complexes to Ammonia under Ambient Conditions","Chemical Science","2026","","","","","10.1039/D6SC02866G","","","0.71073","MoKα","","0.0489","0.0346","","","0.0669","0.0716","","","","","","1","","","","has coordinates,has disorder","306638","2026-06-24","23:06:52",""
"1577428","14.5819","0.0006","15.3597","0.0007","17.0815","0.0006","78.09","0.003","79.223","0.003","86.702","0.003","3676.7","0.3","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C78 H118 Mn2 N4 O4 -","- C78 H118 Mn2 N4 O4 -","- C156 H236 Mn4 N8 O8 -","2","1","","Yamazaki, Yasuomi; Wang, Qiubo; Tanabe, Yoshiaki; Nishibayashi, Yoshiaki","Visible-Light-Driven Ruthenium-Catalyzed Hydrogenation of Manganese Nitride Complexes to Ammonia under Ambient Conditions","Chemical Science","2026","","","","","10.1039/D6SC02866G","","","0.71073","MoKα","","0.1396","0.1105","","","0.2478","0.2617","","","","","","1","","","","has coordinates,has disorder","306638","2026-06-24","23:06:52",""
"1577429","4.9915","0.0001","13.3535","0.0002","13.38","0.0002","90","","98.951","0.001","90","","880.97","0.03","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,4-Bis(4,5-dihydro-1H-imidazol-2-yl)butane (TFA salt)","","- C14 H20 F6 N4 O4 -","- C14 H20 F6 N4 O4 -","- C28 H40 F12 N8 O8 -","2","0.5","","Schiele, Stefanie; Paschke, Ann-Sophie K.; Romiti, Giorgia; Morandi, Bill","Direct access to 2-imidazolines from unactivated alkenes","Chemical Science","2026","","","","","10.1039/D6SC03337G","","x-ray","1.54184","CuKα","","0.0339","0.0317","","","0.0773","0.0788","","","","","","1.056","","","","has coordinates","306639","2026-06-24","23:07:02",""
"1577430","8.8392","0.0002","9.4499","0.0001","12.2464","0.0002","90","","103.098","0.002","90","","996.32","0.03","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Benzyl-4,5-dihydro-1H-imidazole (HCl salt)","","- C10 H13 Cl N2 -","- C10 H13 Cl N2 -","- C40 H52 Cl4 N8 -","4","1","","Schiele, Stefanie; Paschke, Ann-Sophie K.; Romiti, Giorgia; Morandi, Bill","Direct access to 2-imidazolines from unactivated alkenes","Chemical Science","2026","","","","","10.1039/D6SC03337G","","x-ray","1.54184","CuKα","","0.0355","0.0332","","","0.0912","0.0936","","","","","","1.058","","","","has coordinates","306639","2026-06-24","23:07:02",""
"1577431","7.7318","0.0001","20.8161","0.0002","8.6237","0.0001","90","","107.755","0.001","90","","1321.84","0.03","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,5,6,7-Tetrahydro-3H-pyrrolo[1,2-a]imidazole (TsOH salt)","","- C13 H18 N2 O3 S -","- C13 H18 N2 O3 S -","- C52 H72 N8 O12 S4 -","4","1","","Schiele, Stefanie; Paschke, Ann-Sophie K.; Romiti, Giorgia; Morandi, Bill","Direct access to 2-imidazolines from unactivated alkenes","Chemical Science","2026","","","","","10.1039/D6SC03337G","","x-ray","1.54184","CuKα","","0.0323","0.0302","","","0.0827","0.0841","","","","","","1.074","","","","has coordinates","306639","2026-06-24","23:07:02",""
"1577432","6.73693","0.00007","21.9971","0.0003","7.83072","0.00009","90","","94.2746","0.001","90","","1157.23","0.02","120","0.1","120","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H24 N2 O6 -","- C27 H24 N2 O6 -","- C54 H48 N4 O12 -","2","1","","Zhang, Cheng; Popov, Roman; Leforestier, Baptiste; Besnard, Céline; Mazet, Clement","Pd-catalyzed regio- and enantioselective allylation of cyclic allylboronates","Chemical Science","2026","","","","","10.1039/D6SC04784J","","x-ray","1.54184","CuKα","","0.0343","0.0322","","","0.0863","0.0879","","","","","","1.056","","","","has coordinates","306640","2026-06-24","23:07:09",""
"1577433","18.5568","0.0009","7.5652","0.0003","14.0361","0.0007","90","","105.426","0.002","90","","1899.48","0.15","202","","202","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 F2 O4 S -","- C22 H18 F2 O4 S -","- C88 H72 F8 O16 S4 -","4","1","","Chen, Jun-Jie; Tang, Yi-Hui; Bai, Pei-Yuan; Huang, Huan-Ming","Dearomative [2+2] Photocycloaddition to Difluoro Bicyclo[2.1.1]hexane Bioisosteres","Chemical Science","2026","","","","","10.1039/D6SC03721F","","","1.34138","GaKα","","0.0455","0.0344","","","0.0887","0.0934","","","","","","1.043","","","","has coordinates","306641","2026-06-24","23:07:15",""
"1577434","11.12","0.0002","19.7501","0.0002","19.9936","0.0002","60.415","0.001","83.535","0.001","76.793","0.001","3717.54","0.09","100","0.3","100","0.3","","","","","","","","5","P 1","P 1","1","","","","- C34.33 H11.67 F12 N3 O3.33 -","- C33 H9 F12 N3 O3 -","- C99 H27 F36 N9 O9 -","3","3","","Moghadasnia, Michael P.; Evans, Hayden A.; Hippely, Adria S.; Sanchez Hernandez, J. Julian; Holm, Madilyn G.; Ponce, Gemma G.; Martin, Hannah R.; Mannina, Ronin P.; Eckstein, Brian J.; Klein, Ryan A.; Kumar, Praveen; Stern, Charlotte L.; Malliakas, Chris; Brown, Craig M.; McGuirk, C. Michael","Increasing connectivity through self-complementarity enables permanent porosity in a halogen-bonded organic framework","Chemical Science","2026","","","","","10.1039/D6SC03191A","","x-ray","1.54184","CuKα","","0.0993","0.0908","","","0.2567","0.2689","","","","","","1.158","","","","has coordinates","306642","2026-06-24","23:07:38",""
"1577435","19.5423","0.0002","28.0513","0.0002","32.5765","0.0002","90","","90","","90","","17858","0.2","120","0.9","120","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C170 H172 Au9 B Cl8 Cu6 P10 -","- C170 H172 Au9 B Cl8 Cu6 P10 -","- C680 H688 Au36 B4 Cl32 Cu24 P40 -","4","1","","Li, Jianwei; Wang, Jing; Li, Qinzhen; Chai, Jinsong; gao, guiqi; Yang, Sha; Zhu, Manzhou","Rapid screening and separation of fluorescent clusters: A case study of Au9Cu5","Nanoscale","2026","","","","","10.1039/D6NR01431C","","x-ray","1.54184","CuKα","","0.0465","0.0436","","","0.1081","0.1099","","","","","","1.022","","","","has coordinates","306644","2026-06-25","01:11:57",""
"1577436","18.9231","0.0004","24.8295","0.0008","34.41","0.0008","91.064","0.003","89.879","0.002","95.661","0.003","16086","0.7","119.9","0.7","119.9","0.7","","","","","","","","6","P -1","-P 1","2","","","","- C141 H136 Au9.38 Cl26 Cu6.62 P10 -","- C141 H136 Au9.3805 Cl26 Cu6.6195 P10 -","- C564 H544 Au37.522 Cl104 Cu26.478 P40 -","4","2","","Li, Jianwei; Wang, Jing; Li, Qinzhen; Chai, Jinsong; gao, guiqi; Yang, Sha; Zhu, Manzhou","Rapid screening and separation of fluorescent clusters: A case study of Au9Cu5","Nanoscale","2026","","","","","10.1039/D6NR01431C","","x-ray","1.54184","CuKα","","0.1479","0.1101","","","0.3093","0.3701","","","","","","1.473","","","","has coordinates,has disorder","306644","2026-06-25","01:11:57",""
"1577437","11.9698","0.0008","14.6251","0.0009","16.1758","0.0011","64.822","0.002","76.409","0.002","72.142","0.002","2421.2","0.3","273","2","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C68 H132 B42 K2 O18 -","- C68 H132 B42 K2 O18 -","- C68 H132 B42 K2 O18 -","1","0.5","","Vashisth, Kanika; Thornton, Ragene; Yoon, Bohak; Martin, Caleb Daniel","Bis(Carboranyl)boryl Anions","Chemical Science","2026","","","","","10.1039/D6SC03158G","","","0.71073","MoKα","","0.1079","0.0558","","","0.127","0.1585","","","","","","1.0362","","","","has coordinates","306651","2026-06-25","22:46:09",""
"1577438","11.874","0.0008","21.7774","0.0016","25.769","0.0018","90","","97.038","0.002","90","","6613.3","0.8","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H77 B42 K2 O Si4 -","- C28 H77 B42 K2 O Si4 -","- C112 H308 B168 K8 O4 Si16 -","4","0.5","","Vashisth, Kanika; Thornton, Ragene; Yoon, Bohak; Martin, Caleb Daniel","Bis(Carboranyl)boryl Anions","Chemical Science","2026","","","","","10.1039/D6SC03158G","","","0.71073","MoKα","","0.0944","0.0815","","","0.2304","0.2407","","","","","","1.077","","","","has coordinates,has disorder","306651","2026-06-25","22:46:09",""
"1577439","11.313","0.0001","13.3497","0.0002","24.8346","0.0003","90","","90.864","0.001","90","","3750.22","0.08","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C55 H90 B42 Cu2 P2 -","- C55 H90 B42 Cu2 P2 -","- C110 H180 B84 Cu4 P4 -","2","0.5","","Vashisth, Kanika; Thornton, Ragene; Yoon, Bohak; Martin, Caleb Daniel","Bis(Carboranyl)boryl Anions","Chemical Science","2026","","","","","10.1039/D6SC03158G","","","1.54184","CuKα","","0.0584","0.0495","","","0.1411","0.1512","","","","","","1.0259","","","","has coordinates,has disorder","306651","2026-06-25","22:46:09",""
"1577440","14.195","0.002","10.4892","0.0014","18.721","0.003","90","","92.413","0.006","90","","2785","0.7","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H38 B21 Br Si2 -","- C10 H38 B21 Br Si2 -","- C40 H152 B84 Br4 Si8 -","4","1","","Vashisth, Kanika; Thornton, Ragene; Yoon, Bohak; Martin, Caleb Daniel","Bis(Carboranyl)boryl Anions","Chemical Science","2026","","","","","10.1039/D6SC03158G","","","0.71073","MoKα","","0.1075","0.0656","","","0.1807","0.2114","","","","","","1.03","","","","has coordinates","306651","2026-06-25","22:46:09",""
"1577441","13.5854","0.0012","13.7659","0.0015","22.604","0.002","90","","90","","90","","4227.3","0.7","423","2","423.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6 H28 B21 K -","- C6 H28 B21 K -","- C48 H224 B168 K8 -","8","1","","Vashisth, Kanika; Thornton, Ragene; Yoon, Bohak; Martin, Caleb Daniel","Bis(Carboranyl)boryl Anions","Chemical Science","2026","","","","","10.1039/D6SC03158G","","","0.71073","MoKα","","0.0617","0.0497","","","0.1471","0.1633","","","","","","1.0479","","","","has coordinates","306651","2026-06-25","22:46:09",""
"1577442","13.449","0.009","23.829","0.016","25.991","0.017","77.62","0.02","82.89","0.03","74.54","0.03","7822","9","296.15","","296.15","","","","","","","","","2","P -1","-P 1","2","","","","- Ni3 P4 -","- Ni3.055 O116 P4 W31.945 -","- Ni6.11 O232 P8 W63.89 -","2","1","","Chi, Manzhou; Wen, Yaohui; Chen, Yueyin; Wang, Yequn; Yang, Guo-Yu; Lv, Hongjin","Isostructural Co/Ni-containing banana-shaped polyoxometalate for visible-light-driven hydrogen production","Nanoscale","2026","","","","","10.1039/D6NR02027E","","","0.71073","MoKα","","0.1542","0.0579","","","0.1124","0.1442","","","","","","0.862","","","","has coordinates,has disorder","306656","2026-06-26","01:45:28",""
"1577443","22.3095","0.001","15.8087","0.0007","44.949","0.002","90","","90","","90","","15852.8","1.2","296.15","","296.15","","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Co3 P4 -","- C40 H152 Co6.24 N20 O232 P8 W63.76 -","- C80 H304 Co12.48 N40 O464 P16 W127.52 -","2","0.125","","Chi, Manzhou; Wen, Yaohui; Chen, Yueyin; Wang, Yequn; Yang, Guo-Yu; Lv, Hongjin","Isostructural Co/Ni-containing banana-shaped polyoxometalate for visible-light-driven hydrogen production","Nanoscale","2026","","","","","10.1039/D6NR02027E","","","0.71073","MoKα","","0.0714","0.058","","","0.1316","0.1386","","","","","","1.064","","","","has coordinates,has disorder","306656","2026-06-26","01:45:28",""
"1577444","11.8319","0.0003","16.0165","0.0005","16.8588","0.0005","63.424","0.003","77.319","0.003","69.659","0.003","2671.28","0.16","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C63 H81 Ca Na -","- C63 H81 Ca Na -","- C126 H162 Ca2 Na2 -","2","1","","Koshelev, Ivan V.; Selikhov, Alexander N.; Cherkasov, Anton; Aysin, Rinat R.; Trifonov, Alexander A.","Highly regio- and E-stereoselective C=C bond transposition catalyzed by tris(benzhydryl) sodium calciate. Proof of synergy: one metal is good, but two are better","Chemical Science","2026","","","","","10.1039/D6SC03562K","","","0.71073","MoKα","","0.1026","0.0554","","","0.1189","0.1419","","","","","","1.022","","","","has coordinates","306664","2026-06-26","22:55:25",""
"1577445","16.2185","0.001","34.799","0.002","27.2802","0.0019","90","","102.583","0.007","90","","15026.8","1.7","200","2","200","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C165 H225 Na7 O3 -","- C165 H225 Na7 O3 -","- C660 H900 Na28 O12 -","4","0.5","","Koshelev, Ivan V.; Selikhov, Alexander N.; Cherkasov, Anton; Aysin, Rinat R.; Trifonov, Alexander A.","Highly regio- and E-stereoselective C=C bond transposition catalyzed by tris(benzhydryl) sodium calciate. Proof of synergy: one metal is good, but two are better","Chemical Science","2026","","","","","10.1039/D6SC03562K","","","0.71073","MoKα","","0.2274","0.0707","","","0.1121","0.1532","","","","","","1.024","","","","has coordinates,has disorder","306664","2026-06-26","22:55:25",""
"1577446","10.2287","0.0003","29.1158","0.0009","62.3989","0.0015","90","","90","","90","","18583.4","0.9","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H43 N2 Na -","- C27 H43 N2 Na -","- C756 H1204 N56 Na28 -","28","7","","Koshelev, Ivan V.; Selikhov, Alexander N.; Cherkasov, Anton; Aysin, Rinat R.; Trifonov, Alexander A.","Highly regio- and E-stereoselective C=C bond transposition catalyzed by tris(benzhydryl) sodium calciate. Proof of synergy: one metal is good, but two are better","Chemical Science","2026","","","","","10.1039/D6SC03562K","","","0.71073","MoKα","","0.2063","0.1609","","","0.3563","0.3847","","","","","","1.054","","","","has coordinates","306664","2026-06-26","22:55:25",""
"1577447","12.4932","0.0002","6.46512","0.0001","13.0763","0.0002","90","","97.5605","0.0015","90","","1046.99","0.03","110","14","110","14","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","NU-2501","","- C9 H9 Lu O9 -","- C9 H9 Lu O9 -","- C36 H36 Lu4 O36 -","4","1","","Gaidimas, Madeleine A.; Kim, Gyu-Hee; Ye, Zi-Ming; Magdalenski, Julian S.; Barker, Nathaniel M.; Mandal, Abhijoy; Darvish, Kourosh; Kirlikovali, Kent O.; Bernales, Varinia; Aspuru-Guzik, Alán; Malliakas, Christos D.; Farha, Omar K.","Mapping the crystallization landscape of rare earth MOFs: a high-throughput investigation of structure, kinetics, and selectivity","Chemical Science","2026","","","","","10.1039/D5SC09992G","","x-ray","1.54184","CuKα","","0.0419","0.0398","","","0.1059","0.1077","","","","","","1.067","","","","has coordinates","306665","2026-06-26","22:56:21",""
"1577448","11.2564","0.0002","19.5445","0.0003","6.5944","0.0001","90","","90","","90","","1450.77","0.04","250","0.1","250","0.1","","","","","","","","4","P b c m","-P 2c 2b","57","","NU-2505","","- C10 H11 Lu O13 -","- C10 H11 Lu O12.99 -","- C40 H44 Lu4 O51.96 -","4","0.5","","Gaidimas, Madeleine A.; Kim, Gyu-Hee; Ye, Zi-Ming; Magdalenski, Julian S.; Barker, Nathaniel M.; Mandal, Abhijoy; Darvish, Kourosh; Kirlikovali, Kent O.; Bernales, Varinia; Aspuru-Guzik, Alán; Malliakas, Christos D.; Farha, Omar K.","Mapping the crystallization landscape of rare earth MOFs: a high-throughput investigation of structure, kinetics, and selectivity","Chemical Science","2026","","","","","10.1039/D5SC09992G","","x-ray","1.54184","CuKα","","0.0282","0.0253","","","0.0539","0.0549","","","","","","1.194","","","","has coordinates,has disorder","306665","2026-06-26","22:56:21",""
"1577449","10.9117","0.0019","16.7852","0.0017","6.7375","0.0008","90","","102.767","0.014","90","","1203.5","0.3","293","5","293","5","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","NU-2503","","- C11 H7 O8 Yb -","- C11 H7 O8 Yb -","- C44 H28 O32 Yb4 -","4","1","","Gaidimas, Madeleine A.; Kim, Gyu-Hee; Ye, Zi-Ming; Magdalenski, Julian S.; Barker, Nathaniel M.; Mandal, Abhijoy; Darvish, Kourosh; Kirlikovali, Kent O.; Bernales, Varinia; Aspuru-Guzik, Alán; Malliakas, Christos D.; Farha, Omar K.","Mapping the crystallization landscape of rare earth MOFs: a high-throughput investigation of structure, kinetics, and selectivity","Chemical Science","2026","","","","","10.1039/D5SC09992G","","electron","0.0251","electron","","0.222","0.1945","","","0.4489","0.4636","","","","","","1.171","","","","has coordinates","306665","2026-06-26","22:56:21",""
"1577450","21.93313","0.00013","21.93313","0.00013","27.7225","0.0002","90","","90","","120","","11549.5","0.13","100","0.1","100","0.1","","","","","","","","4","R -3 m :H","-R 3 2""","166","","NU-2502","","- C24.98 H28.58 O20 Sc3 -","- C20.184 H14.184 O17.592 Sc3 -","- C242.208 H170.208 O211.104 Sc36 -","12","0.333333","","Gaidimas, Madeleine A.; Kim, Gyu-Hee; Ye, Zi-Ming; Magdalenski, Julian S.; Barker, Nathaniel M.; Mandal, Abhijoy; Darvish, Kourosh; Kirlikovali, Kent O.; Bernales, Varinia; Aspuru-Guzik, Alán; Malliakas, Christos D.; Farha, Omar K.","Mapping the crystallization landscape of rare earth MOFs: a high-throughput investigation of structure, kinetics, and selectivity","Chemical Science","2026","","","","","10.1039/D5SC09992G","","x-ray","1.54184","CuKα","","0.055","0.0546","","","0.1566","0.1571","","","","","","1.107","","","","has coordinates,has disorder","306665","2026-06-26","22:56:21",""
"1577451","5.90086","0.00006","9.42216","0.00009","14.57445","0.00013","96.2049","0.0008","94.0226","0.0008","103.275","0.0008","780.263","0.013","100","1","100","1","","","","","","","","4","P -1","-P 1","2","","NU-2504","","- C12 H15 Dy O12 -","- C12 H15 Dy O12 -","- C24 H30 Dy2 O24 -","2","1","","Gaidimas, Madeleine A.; Kim, Gyu-Hee; Ye, Zi-Ming; Magdalenski, Julian S.; Barker, Nathaniel M.; Mandal, Abhijoy; Darvish, Kourosh; Kirlikovali, Kent O.; Bernales, Varinia; Aspuru-Guzik, Alán; Malliakas, Christos D.; Farha, Omar K.","Mapping the crystallization landscape of rare earth MOFs: a high-throughput investigation of structure, kinetics, and selectivity","Chemical Science","2026","","","","","10.1039/D5SC09992G","","x-ray","0.71073","MoKα","","0.022","0.0211","","","0.0555","0.056","","","","","","1.059","","","","has coordinates,has disorder","306665","2026-06-26","22:56:21",""
"1577452","9.0345","0.0003","6.0176","0.0002","11.9234","0.0004","90.314","0.003","91.048","0.003","90.677","0.003","648.06","0.04","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- Cl0.11 I0.89 Li7 S7 Si2 -","- Cl0.1098 I0.8902 Li7.004 S7 Si2 -","- Cl0.2196 I1.7804 Li14.008 S14 Si4 -","2","1","","Han, Guopeng; Collins, Christopher M.; Sonni, Manel; Daniels, Luke M.; Vasylenko, Andrij; Chen, Ruiyong; Robertson, Craig; Dyer, Matthew Stephen; Claridge, John B.; Rosseinsky, Matthew J.","Superionic Lithium Mobility in Low Symmetry Li7Si2S7I Polymorph Accessed via Si2S7 Dimer Reorientation","Chemical Science","2026","","","","","10.1039/D5SC09834C","","x-ray","0.71073","MoKα","","0.0256","0.0209","","","0.046","0.0475","","","","","","1.053","","","","has coordinates","306666","2026-06-26","22:56:40",""
"1577453","9.0486","0.0005","6.0273","0.0003","11.9663","0.0006","90.135","0.004","90.937","0.004","90.498","0.004","652.51","0.06","241","3","241","3","","","","","","","","5","P -1","-P 1","2","","","","- Cl0.12 I0.88 Li7 S7 Si2 -","- Cl0.1186 I0.8814 Li7.001 S7 Si2 -","- Cl0.2372 I1.7628 Li14.002 S14 Si4 -","2","1","","Han, Guopeng; Collins, Christopher M.; Sonni, Manel; Daniels, Luke M.; Vasylenko, Andrij; Chen, Ruiyong; Robertson, Craig; Dyer, Matthew Stephen; Claridge, John B.; Rosseinsky, Matthew J.","Superionic Lithium Mobility in Low Symmetry Li7Si2S7I Polymorph Accessed via Si2S7 Dimer Reorientation","Chemical Science","2026","","","","","10.1039/D5SC09834C","","x-ray","0.71073","MoKα","","0.0324","0.023","","","0.0391","0.041","","","","","","1.043","","","","has coordinates,has disorder","306666","2026-06-26","22:56:40",""
"1577454","9.0428","0.0006","6.039","0.0004","12.0347","0.0006","89.794","0.004","90.905","0.005","90.48","0.005","657.1","0.07","300","0.1","300","0.1","","","","","","","","5","P -1","-P 1","2","","","","- Cl0.113 I0.887 Li7 S7 Si2 -","- Cl0.1127 I0.8873 Li6.994 S7 Si2 -","- Cl0.2254 I1.7746 Li13.988 S14 Si4 -","2","1","","Han, Guopeng; Collins, Christopher M.; Sonni, Manel; Daniels, Luke M.; Vasylenko, Andrij; Chen, Ruiyong; Robertson, Craig; Dyer, Matthew Stephen; Claridge, John B.; Rosseinsky, Matthew J.","Superionic Lithium Mobility in Low Symmetry Li7Si2S7I Polymorph Accessed via Si2S7 Dimer Reorientation","Chemical Science","2026","","","","","10.1039/D5SC09834C","","x-ray","0.71073","MoKα","","0.0355","0.0275","","","0.0595","0.0616","","","","","","1.038","","","","has coordinates,has disorder","306666","2026-06-26","22:56:40",""
"1577455","13.4381","0.0004","13.4381","0.0004","25.945","0.0013","90","","90","","90","","4685.2","0.3","100","2","100","2","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","[Na(THF)4][WO(2,6-dimethylphenoxide)4]","[Na(THF)4][WO(ODmp)4]","","- C12 H17 Na0.25 O2.25 W0.25 -","- C12 H17 Na0.25 O2.25 W0.25 -","- C192 H272 Na4 O36 W4 -","16","1","","Sutcliffe, Erica; Aalto, Jonathan P.; Hadt, Ryan G.","Excited-state orbital angular momentum enables all-optical molecular spin coherence","Chemical Science","2026","","","","","10.1039/D6SC04497B","","","0.71073","MoKα","","0.0511","0.0364","","","0.0705","0.0819","","","","","","1.214","","","","has coordinates,has disorder","306669","2026-06-27","22:13:28",""
"1577456","11.19","0.002","7.9615","0.0014","13.43","0.002","90","","99.689","0.006","90","","1179.4","0.3","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H27 N O3 S -","- C28 H27 N O3 S -","- C56 H54 N2 O6 S2 -","2","1","","Shaikh, Aslam C.; Kaur, Kavneet; SINGH, PUJA; Thombare, Rahul D.; P., Adithya K.; Mane, Manoj V.","Stereoselective Dearomative Formal [3+2] cycloaddition of Indole with Allenols: Access to Structurally Diverse Cyclopenta[b]indoles","Chemical Science","2026","","","","","10.1039/D6SC03994D","","","0.71073","MoKα","","0.1178","0.054","","","0.1127","0.1369","","","","","","0.954","","","","has coordinates","306676","2026-06-29","22:18:01",""
"1577457","20.964","0.004","11.074","0.002","28.781","0.006","90","","105.548","0.004","90","","6437","2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C36 H35 Bi Te2 -","- C36 H35 Bi Te2 -","- C288 H280 Bi8 Te16 -","8","1","","van Halteren, Charlotte E. R.; Wölper, Christoph; Kapp, Leon; Schulz, Stephan","Bistelluridopnictanes as Gateways to Telluradipnictiranes and a cyclic [Bi2Te2]2+ Dication","Chemical Science","2026","","","","","10.1039/D6SC02907H","","","0.71073","MoKα","","0.0871","0.0673","","","0.1166","0.1204","","","","","","1.476","","","","has coordinates,has disorder","306677","2026-06-29","22:18:23",""
"1577458","21.0985","0.0008","11.1489","0.0004","29.054","0.0012","90","","105.908","0.0018","90","","6572.5","0.4","200","2","200","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C36 H35 Sb Te2 -","- C36 H35 Sb Te2 -","- C288 H280 Sb8 Te16 -","8","1","","van Halteren, Charlotte E. R.; Wölper, Christoph; Kapp, Leon; Schulz, Stephan","Bistelluridopnictanes as Gateways to Telluradipnictiranes and a cyclic [Bi2Te2]2+ Dication","Chemical Science","2026","","","","","10.1039/D6SC02907H","","","1.54178","CuKα","","0.0443","0.0409","","","0.1133","0.1175","","","","","","1.094","","","","has coordinates","306677","2026-06-29","22:18:23",""
"1577459","11.9529","0.0004","19.5673","0.0006","28.2861","0.0009","96.925","0.001","98.6414","0.0009","95.1077","0.0009","6454.1","0.4","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H35 As Te2 -","- C36 H35 As Te2 -","- C288 H280 As8 Te16 -","8","4","","van Halteren, Charlotte E. R.; Wölper, Christoph; Kapp, Leon; Schulz, Stephan","Bistelluridopnictanes as Gateways to Telluradipnictiranes and a cyclic [Bi2Te2]2+ Dication","Chemical Science","2026","","","","","10.1039/D6SC02907H","","","1.54178","CuKα","","0.0391","0.0375","","","0.104","0.1057","","","","","","1.037","","","","has coordinates","306677","2026-06-29","22:18:23",""
"1577460","12.3004","0.0008","13.4246","0.0008","22.7656","0.0015","74.823","0.003","81.902","0.003","77.265","0.003","3525","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H70.92 Bi2 F13.08 Sb2 Te2 -","- C72 H70.916 Bi2 F13.084 Sb2 Te2 -","- C144 H141.832 Bi4 F26.168 Sb4 Te4 -","2","1","","van Halteren, Charlotte E. R.; Wölper, Christoph; Kapp, Leon; Schulz, Stephan","Bistelluridopnictanes as Gateways to Telluradipnictiranes and a cyclic [Bi2Te2]2+ Dication","Chemical Science","2026","","","","","10.1039/D6SC02907H","","","1.54178","CuKα","","0.0409","0.0354","","","0.0848","0.0896","","","","","","1.041","","","","has coordinates,has disorder","306677","2026-06-29","22:18:23",""
"1577461","14.1262","0.0005","19.3526","0.0007","17.6493","0.0006","90","","112.256","0.0016","90","","4465.5","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C51.5 H54 Sb2 Te -","- C51.5 H54 Sb2 Te -","- C206 H216 Sb8 Te4 -","4","1","","van Halteren, Charlotte E. R.; Wölper, Christoph; Kapp, Leon; Schulz, Stephan","Bistelluridopnictanes as Gateways to Telluradipnictiranes and a cyclic [Bi2Te2]2+ Dication","Chemical Science","2026","","","","","10.1039/D6SC02907H","","","1.54178","CuKα","","0.0366","0.0301","","","0.0716","0.0772","","","","","","1.068","","","","has coordinates,has disorder","306677","2026-06-29","22:18:23",""
"1577462","14.2932","0.0007","19.3058","0.001","17.5967","0.0009","90","","113.038","0.002","90","","4468.4","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C51 H53 Bi2 Te -","- C51 H53 Bi2 Te -","- C204 H212 Bi8 Te4 -","4","1","","van Halteren, Charlotte E. R.; Wölper, Christoph; Kapp, Leon; Schulz, Stephan","Bistelluridopnictanes as Gateways to Telluradipnictiranes and a cyclic [Bi2Te2]2+ Dication","Chemical Science","2026","","","","","10.1039/D6SC02907H","","","1.54178","CuKα","","0.0246","0.022","","","0.054","0.056","","","","","","1.035","","","","has coordinates","306677","2026-06-29","22:18:23",""
"1577463","12.9665","0.0005","19.9151","0.0007","16.8682","0.0006","90","","111.088","0.0011","90","","4064.1","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C48 H50 As2 Te -","- C48 H50 As2 Te -","- C192 H200 As8 Te4 -","4","1","","van Halteren, Charlotte E. R.; Wölper, Christoph; Kapp, Leon; Schulz, Stephan","Bistelluridopnictanes as Gateways to Telluradipnictiranes and a cyclic [Bi2Te2]2+ Dication","Chemical Science","2026","","","","","10.1039/D6SC02907H","","","1.54178","CuKα","","0.0298","0.0283","","","0.0763","0.0777","","","","","","1.049","","","","has coordinates","306677","2026-06-29","22:18:23",""
"1577464","8.4438","","8.4438","","8.4438","","90","","90","","90","","602.024","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Fe2 O4 Zn -","- Fe2 O4 Zn -","- Fe16 O32 Zn8 -","8","0.0416667","","Madake, Suraj B.; Jadhav, Satish B.; Son, Gyeongil; Park, Juyoung; Mohite, Santosh V.; Rajpure, K. Y.; Kim, Minjae","ZnFe2O4 Thin-Film SO2 Gas Sensor for Industrial Emission Monitoring in Petrochemical Refineries","International Journal of Energy Research","2026","2026","","1","10","10.1155/er/9046965","","","","","","","","","","","","","","","","","","","","","has coordinates","306690","2026-07-07","05:04:22",""
"3000592","8.81","0.003","17.268","0.004","10.929","0.004","90","","96.22","0.03","90","","1652.9","0.9","79","","79","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C28 H28 Cu F6 N4 O6 S2 -","- C28 H28 Cu F6 N4 O6 S2 -","- C56 H56 Cu2 F12 N8 O12 S4 -","2","1","","Shin-ichiro Noro","Structural Characterization of a Desolvated Flexible Porous Coordination Polymer using MicroED","Crystal Growth & Design","2026","26","","438","","","","electron","0.02508","electron","","0.1441","0.0875","","","0.2002","0.2169","","","","","","0.92","","","","has coordinates,has disorder","305932","2026-05-12","03:08:45",""
"3000619","25.2887","0.0003","25.2887","0.0003","25.2887","0.0003","90","","90","","90","","16172.6","0.3","79","","79","","","","","","","","","5","I m -3 m","-I 4 2 3","229","","","","- C30 H36 B N O4 -","- C22 H18 B O4 -","- C264 H216 B12 O48 -","12","0.125","","Soshi Hirota; Haruki Sugiyama; Nao Hirata; Sachiko Nakano; Junichi Usuba; Yuh Hijikata; Ryotaro Matsuda; Takanori Nakane; Akihiro Kawamoto; Genji Kurisu; Yasutomo Segawa","Crystalline 3D covalent organic frameworks with nbo topology","Science Advances","2026","","","aeg6230","","10.1126/sciadv.aeg6230","","electron","0.02508","electron","","0.125","0.1215","","","0.3356","0.3386","","","","","","1.3807","","","","has coordinates,has disorder,has Fobs","306697","2026-07-10","17:09:31",""
"3000625","7.46237","0.00005","7.46237","0.00005","8.59612","0.00006","90","","90","","90","","478.692","0.006","","","298","","","","100","","","","","2","P 41 21 2","P 4abw 2nw","92","keatite","","keatite","- O2 Si -","- O2 Si -","- O24 Si12 -","12","1.5","","Kanzaki, M.; Xue, X.","Structural and spectroscopic characterization of keatite (SiO2)","Journal of the Ceramic Society of Japan","2026","134","","1","4","10.2109/jcersj2.25143","","","","","","","","","","","","","","","","","","","","","has coordinates","305601","2026-04-23","11:04:55",""
"3500149","19.9626","0.0005","5.4251","0.0001","7.9004","0.0002","90","","94.46","0.001","90","","853.02","0.03","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 O -","- C12 H10 O -","- C48 H40 O4 -","4","1","","Thierry Maris","Non spherical atom form-factors refinement of 4-Hydroxybiphenyl","Personal communication to COD","2026","","","","","","","x-ray","1.34139","GaKα","","0.0441","0.0422","","","0.1253","0.1291","","","","","","1.1135","","","","has coordinates,has Fobs","304193","2026-01-20","17:05:02",""
"3500150","12.7636","0.0005","4.5286","0.0002","12.0133","0.0005","90","","110.499","0.001","90","","650.41","0.05","150","","150","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Hydrazinium Bromide","","- Br H5 N2 -","- Br H5 N2 -","- Br8 H40 N16 -","8","1","","Thierry Maris","Hydrazinium Bromide at 150 K","Personal communication to COD","2026","","","","","","","x-ray","1.34139","GaKα","","0.0285","0.0282","","","0.0849","0.0851","","","","","","1.205","","","","has coordinates,has Fobs","304194","2026-01-20","17:28:07",""
"3500151","6.7633","","6.7633","","9.5648","","90","","90","","90","","437.515","","","","","","","","","","","","","2","P 1","P 1","1","","","","- Cd16 O16 -","- Cd16 O16 -","- Cd16 O16 -","1","1","","Junhui Luo; Guodong Li","CdO supercell for (001)/<1-10> shear","Personal communication to COD","2026","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","306024","2026-05-20","21:26:41",""
"3500152","9.5648","","4.7824","","9.5648","","90","","90","","90","","437.52","","","","","","","","","","","","","2","P 1","P 1","1","","","","- Cd16 O16 -","- Cd16 O16 -","- Cd16 O16 -","1","1","","Junhui Luo; Guodong Li","CdO supercell for (001)/<100> shear","Personal communication to COD","2026","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","306025","2026-05-20","21:28:29",""
"3500153","6.7633","","4.7824","","13.5267","","90","","90","","90","","437.518","","","","","","","","","","","","","2","P 1","P 1","1","","","","- Cd16 O16 -","- Cd16 O16 -","- Cd16 O16 -","1","1","","Junhui Luo; Guodong Li","CdO supercell for (110)/<1-10> shear AND GSFE calculation","Personal communication to COD","2026","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","306047","2026-05-20","22:13:21",""
"3500154","11.7144","","6.7633","","8.2834","","90","","90","","90","","656.277","","","","","","","","","","","","","2","P 1","P 1","1","","","","- Cd24 O24 -","- Cd24 O24 -","- Cd24 O24 -","1","1","","Junhui Luo; Guodong Li","CdO supercell for (111)/<-1-12> shear","Personal communication to COD","2026","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","306027","2026-05-20","21:32:47",""
"3500155","6.7633","","11.7144","","8.2834","","90","","90","","90","","656.277","","","","","","","","","","","","","2","P 1","P 1","1","","","","- Cd24 O24 -","- Cd24 O24 -","- Cd24 O24 -","1","1","","Junhui Luo; Guodong Li","CdO supercell for (111)/<1-10> shear AND <110> tension","Personal communication to COD","2026","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","306048","2026-05-20","22:20:51",""
"3500156","9.5648","","6.7633","","6.7633","","90","","90","","90","","437.515","","","","","","","","","","","","","2","P 1","P 1","1","","","","- Cd16 O16 -","- Cd16 O16 -","- Cd16 O16 -","1","1","","Junhui Luo; Guodong Li","CdO supercell for <001> tension","Personal communication to COD","2026","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","306029","2026-05-20","21:36:32",""
"3500157","8.2834","","11.7144","","6.7633","","90","","90","","90","","656.277","","","","","","","","","","","","","2","P 1","P 1","1","","","","- Cd24 O24 -","- Cd24 O24 -","- Cd24 O24 -","1","1","","Junhui Luo; Guodong Li","CdO supercell for <111> tension","Personal communication to COD","2026","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","306030","2026-05-20","21:38:39",""
"3500158","4.7824","","4.7824","","9.5648","","90","","90","","90","","218.76","","","","","","","","","","","","","2","P 1","P 1","1","","","","- Cd8 O8 -","- Cd8 O8 -","- Cd8 O8 -","1","1","","Junhui Luo; Guodong Li","CdO supercell for GSFE calculations with the (001) slip plane","Personal communication to COD","2026","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","306032","2026-05-20","21:43:41",""
"3500159","5.8572","","3.3817","","16.5667","","90","","90","","90","","328.141","","","","","","","","","","","","","2","P 1","P 1","1","","","","- Cd12 O12 -","- Cd12 O12 -","- Cd12 O12 -","1","1","","Junhui Luo; Guodong Li","CdO supercell for GSFE calculations with the (111) slip plane","Personal communication to COD","2026","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","306033","2026-05-20","21:45:38",""
"3500160","5.9865","","5.9865","","8.4662","","90","","90","","90","","303.413","","","","","","","","","","","","","2","P 1","P 1","1","","","","- Fe16 N16 -","- Fe16 N16 -","- Fe16 N16 -","1","1","","Junhui Luo; Guodong Li","FeN supercell for (001)/<1-10> shear","Personal communication to COD","2026","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","306034","2026-05-20","21:47:19",""
"3500161","8.4662","","4.2331","","8.4662","","90","","90","","90","","303.414","","","","","","","","","","","","","2","P 1","P 1","1","","","","- Fe16 N16 -","- Fe16 N16 -","- Fe16 N16 -","1","1","","Junhui Luo; Guodong Li","FeN supercell for (001)/<100> shear","Personal communication to COD","2026","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","306035","2026-05-20","21:48:46",""
"3500162","5.9865","","4.2331","","11.973","","90","","90","","90","","303.413","","","","","","","","","","","","","2","P 1","P 1","1","","","","- Fe16 N16 -","- Fe16 N16 -","- Fe16 N16 -","1","1","","Junhui Luo; Guodong Li","FeN supercell for (110)/<1-10> shear","Personal communication to COD","2026","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","306036","2026-05-20","21:50:10",""
"3500163","10.3689","","5.9865","","7.3319","","90","","90","","90","","455.116","","","","","","","","","","","","","2","P 1","P 1","1","","","","- Fe24 N24 -","- Fe24 N24 -","- Fe24 N24 -","1","1","","Junhui Luo; Guodong Li","FeN supercell for (111)/<-1-12> shear","Personal communication to COD","2026","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","306037","2026-05-20","21:51:11",""
"3500164","5.9865","","10.3689","","7.3319","","90","","90","","90","","455.116","","","","","","","","","","","","","2","P 1","P 1","1","","","","- Fe24 N24 -","- Fe24 N24 -","- Fe24 N24 -","1","1","","Junhui Luo; Guodong Li","FeN supercell for (111)/<1-10> shear AND <110> tension","Personal communication to COD","2026","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","306049","2026-05-20","22:22:12",""
"3500165","8.4662","","5.9865","","5.9865","","90","","90","","90","","303.413","","","","","","","","","","","","","2","P 1","P 1","1","","","","- Fe16 N16 -","- Fe16 N16 -","- Fe16 N16 -","1","1","","Junhui Luo; Guodong Li","FeN supercell for <001> tension","Personal communication to COD","2026","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","306039","2026-05-20","21:53:34",""
"3500166","7.3319","","10.3689","","5.9865","","90","","90","","90","","455.116","","","","","","","","","","","","","2","P 1","P 1","1","","","","- Fe24 N24 -","- Fe24 N24 -","- Fe24 N24 -","1","1","","Junhui Luo; Guodong Li","FeN supercell for <111> tension","Personal communication to COD","2026","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","306040","2026-05-20","21:54:52",""
"3500167","4.2331","","4.2331","","8.4662","","90","","90","","90","","151.707","","","","","","","","","","","","","2","P 1","P 1","1","","","","- Fe8 N8 -","- Fe8 N8 -","- Fe8 N8 -","1","1","","Junhui Luo; Guodong Li","FeN supercell for GSFE calculations with the (001) slip plane","Personal communication to COD","2026","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","306045","2026-05-20","21:56:09",""
"3500168","2.9933","","5.1845","","14.6639","","90","","90","","90","","227.566","","","","","","","","","","","","","2","P 1","P 1","1","","","","- Fe12 N12 -","- Fe12 N12 -","- Fe12 N12 -","1","1","","Junhui Luo; Guodong Li","CdO supercell for GSFE calculations with the (111) slip plane","Personal communication to COD","2026","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","306046","2026-05-20","21:57:50",""
"3500169","11.0998","0.0003","11.0998","0.0003","10.693","0.0003","90","","90","","90","","1317.44","0.06","296","","","","","","","","","","","5","I -4","I -4","82","fomepizole hemisulfate","4-methylpyrazole hemisulfate","","- C8 H14 N4 O4 S -","- C8 N4 O4 S -","- C32 N16 O16 S4 -","4","0.5","","Armel Le Bail","Fomepizole hemisulfate","Personal communication to COD","2026","","","","","","powder diffraction","","1.5418","CuKα","","","","","","","","","2.2193","","","","","","","","has coordinates","306648","2026-06-25","08:50:48",""
"3500170","8.2605","0.0005","8.2605","0.0005","5.1397","0.0004","90","","90","","120","","303.73","0.04","293","","293","","","","","","","","Sample from the Hydro Aluminium Company","4","P 63","P 6c","173","Calcium aluminium oxyfluoride","","","- Al8 Ca F2 O12 -","- Al8 Ca F2 O12 -","- Al8 Ca F2 O12 -","1","0.166667","","Armel Le Bail","","Personal communication to COD","2026","","","","","","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","","6.3696","","","","","","","","has coordinates","306659","2026-06-26","11:27:29",""
"4519521","10.1597","0.0002","16.5771","0.0003","23.4674","0.0004","90","","90","","90","","3952.34","0.13","150","","150","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-(7-bromo-2,1,3-benzothiadiazol-4-yl)-N,N-diphenylaniline","","- C24 H16 Br N3 S -","- C24 H16 Br N3 S -","- C192 H128 Br8 N24 S8 -","8","1","","Orlando Ortiz; Mohan Raj Anthony Raj; Thierry Maris; Stéphane Kéna-Cohen; William G. Skene","Leveraging Intermolecular Contacts of Polymorphs for Tuning Solid-State Emission","Crystal growth & Design","2026","26","","1236","1243","10.1021/acs.cgd.5c01310","","x-ray","1.34139","GaKα","","0.0319","0.0295","","","0.083","0.0848","","","","","","1.079","","","","has coordinates,has Fobs","306531","2026-06-09","18:39:18",""
"4519522","10.9741","0.0005","73.932","0.004","7.3151","0.0004","90","","90","","90","","5935","0.5","150","","150","","","","","","","","","5","P n a 21","P 2c -2n","33","","4-(7-bromo-2,1,3-benzothiadiazol-4-yl)-N,N-diphenylaniline","","- C24 H16 Br N3 S -","- C24 H16 Br N3 S -","- C288 H192 Br12 N36 S12 -","12","3","","Orlando Ortiz; Mohan Raj Anthony Raj; Thierry Maris; Stéphane Kéna-Cohen; William G. Skene","Leveraging Intermolecular Contacts of Polymorphs for Tuning Solid-State Emission","Crystal growth & Design","2026","26","","1236","1243","10.1021/acs.cgd.5c01310","","x-ray","1.34139","GaKα","","0.026","0.0248","","","0.063","0.0635","","","","","","1.074","","","","has coordinates,has Fobs","306532","2026-06-09","18:40:06",""
"7064146","14.7584","0.0001","15.3917","0.0001","28.804","0.0001","90","","90","","90","","6543.03","0.07","103","2","103","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C33 H29 Br Cl2 Fe Mn N2 O3 P -","- C33 H29 Br Cl2 Fe Mn N2 O3 P -","- C264 H232 Br8 Cl16 Fe8 Mn8 N16 O24 P8 -","8","2","","Yang, Runqian; Bandyopadhyay, Uchchhal; Mallet-Ladeira, Sonia; Poli, Rinaldo; Manoury, Eric; Labande, Agnès","Asymmetric hydrogenation of ketones with planar chiral manganese(i) complexes","New Journal of Chemistry","2026","","","","","10.1039/D5NJ03919C","","x-ray","1.54184","CuKα","","0.0339","0.0334","","","0.0888","0.0891","","","","","","1.041","","","","has coordinates","304025","2025-12-04","01:42:35",""
"7064147","13.9449","0.0002","14.3934","0.0002","22.7282","0.0001","83.071","0.001","89.592","0.001","61.467","0.002","3971.86","0.11","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C67 H60 Br4 Cl2 Fe2 Mn3 N4 O8 P2 -","- C67 H60 Br4 Cl2 Fe2 Mn3 N4 O8 P2 -","- C134 H120 Br8 Cl4 Fe4 Mn6 N8 O16 P4 -","2","1","","Yang, Runqian; Bandyopadhyay, Uchchhal; Mallet-Ladeira, Sonia; Poli, Rinaldo; Manoury, Eric; Labande, Agnès","Asymmetric hydrogenation of ketones with planar chiral manganese(i) complexes","New Journal of Chemistry","2026","","","","","10.1039/D5NJ03919C","","x-ray","1.54184","CuKα","","0.0512","0.0494","","","0.1374","0.139","","","","","","1.048","","","","has coordinates,has disorder","304025","2025-12-04","01:42:35",""
"7064148","10.9923","0.0001","10.9923","0.0001","61.8008","0.0006","90","","90","","120","","6466.99","0.1","296","2","296","2","","","","","","","","4","P 61","P 61","169","","","","- C46 H60 N2 O10 -","- C46 H60 N2 O10 -","- C276 H360 N12 O60 -","6","1","","Parmar, Binal B.; Abraham, Alex; Butcher, Raymond J.; Bedekar, Ashutosh","Synthesis of chiral cyclohexanol derived benzylamines, applications for enantiodiscrimination of optically active analytes by NMR spectroscopy","New Journal of Chemistry","2026","","","","","10.1039/D5NJ02505B","","","1.54184","CuKα","","0.0594","0.0559","","","0.1718","0.1771","","","","","","1.065","","","","has coordinates,has disorder","304065","2025-12-06","01:42:09",""
"7064149","11.7749","0.0004","13.8665","0.0004","18.1394","0.0007","96.868","0.001","99.566","0.002","107.863","0.001","2733.48","0.16","150","2","150","","","","","","","","","7","P -1","-P 1","2","","","","- C63 H58 Cl N2 O9 P2 Rh -","- C63 H58 Cl N2 O9 P2 Rh -","- C126 H116 Cl2 N4 O18 P4 Rh2 -","2","1","","Shao, Tai-ming; Liao, Hai-Xia; Li, Qiu-Ming; Tan, Mingxiong; Liang, Chun-Jie; Liang, Hong; Qin, Qi-Pin","Designing mitophagy-targeted robustine- and 4-acridinol-rhodium(III) coordination compounds to overcome cisplatin resistance in A549/DDP lung cancer cells","New Journal of Chemistry","2026","","","","","10.1039/D5NJ02700D","","","0.71073","MoKα","","0.0535","0.0405","","","0.1055","0.1176","","","","","","1.018","","","","has coordinates","304066","2025-12-06","01:46:35",""
"7064150","15.946","0.003","18.321","0.003","24.503","0.006","90","","90.963","0.019","90","","7157","3","293","2","293","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C44 H31 Cl N2 O2 P Rh -","- C44 H31 Cl N2 O2 P Rh -","- C352 H248 Cl8 N16 O16 P8 Rh8 -","8","1","","Shao, Tai-ming; Liao, Hai-Xia; Li, Qiu-Ming; Tan, Mingxiong; Liang, Chun-Jie; Liang, Hong; Qin, Qi-Pin","Designing mitophagy-targeted robustine- and 4-acridinol-rhodium(III) coordination compounds to overcome cisplatin resistance in A549/DDP lung cancer cells","New Journal of Chemistry","2026","","","","","10.1039/D5NJ02700D","","x-ray","0.71073","MoKα","","0.2715","0.145","","","0.3346","0.4498","","","","","","1.01","","","","has coordinates","304066","2025-12-06","01:46:35",""
"7064151","10.8542","0.0003","9.0975","0.0002","22.1134","0.0006","90","","93.299","0.001","90","","2179.99","0.1","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5-[2-(trimethylsilyl)ethynyl]-2,2-diphenyl-1,2-dihydroquinoline N-oxyl","","- C26 H24 N O Si -","- C26 H24 N O Si -","- C104 H96 N4 O4 Si4 -","4","1","","Takii, Masaomi; Nishiura, Fumiteru; Yao, Masaru; Inoue, Hidenari; Miura, Youhei; Yoshioka, Naoki","Synthesis and Magnetic Properties of 2,2-Diphenyl-1,2-dihydroquinoline N-Oxyl Carrying Ethynyl Group at 5-Position","New Journal of Chemistry","2026","","","","","10.1039/D5NJ04269K","","","0.71073","MoKα","","0.1025","0.0649","","","0.1601","0.2123","","","","","","1.153","","","","has coordinates","304155","2025-12-10","01:56:24",""
"7064152","9.7866","0.0005","12.2573","0.0007","13.7175","0.0007","90","","90","","90","","1645.51","0.15","90","2","90","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","5-ethynyl-2,2-diphenyl-1,2-dihydroquinoline N-oxyl","","- C23 H16 N O -","- C23 H16 N O -","- C92 H64 N4 O4 -","4","1","","Takii, Masaomi; Nishiura, Fumiteru; Yao, Masaru; Inoue, Hidenari; Miura, Youhei; Yoshioka, Naoki","Synthesis and Magnetic Properties of 2,2-Diphenyl-1,2-dihydroquinoline N-Oxyl Carrying Ethynyl Group at 5-Position","New Journal of Chemistry","2026","","","","","10.1039/D5NJ04269K","","","0.71073","MoKα","","0.0559","0.0433","","","0.1114","0.1317","","","","","","1.117","","","","has coordinates","304155","2025-12-10","01:56:24",""
"7064153","12.2498","0.0001","13.7016","0.0002","9.7862","0.0001","90","","90","","90","","1642.53","0.03","90","2","90","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","5-ethynyl-2,2-diphenyl-1,2-dihydroquinoline N-oxyl","","- C23 H16 N O -","- C23 H16 N O -","- C92 H64 N4 O4 -","4","1","","Takii, Masaomi; Nishiura, Fumiteru; Yao, Masaru; Inoue, Hidenari; Miura, Youhei; Yoshioka, Naoki","Synthesis and Magnetic Properties of 2,2-Diphenyl-1,2-dihydroquinoline N-Oxyl Carrying Ethynyl Group at 5-Position","New Journal of Chemistry","2026","","","","","10.1039/D5NJ04269K","","","1.54178","CuKα","","0.0406","0.0318","","","0.0791","0.0807","","","","","","1.046","","","","has coordinates","304155","2025-12-10","01:56:24",""
"7064154","50.4688","0.0004","10.73782","0.00009","17.3477","0.00017","90","","90","","90","","9401.15","0.14","99.9","0.5","99.9","0.5","","","","","","","","3","C m c 21","C 2c -2","36","","","","- C33 H28 O -","- C33 H28 O -","- C528 H448 O16 -","16","2","","Bardonov, Daniil; Nasyrova, Darina; Metlin, Mikhail T.; Minyaev, Mikhail E.; Taydakov, Ilya V.; Roitershtein, Dmitrii M.","Synthesis, Structural and Photophysical Studies of Mono-and Dinuclear Alkali Metal 2,6-dibenzhydryl-4-methylphenolates","New Journal of Chemistry","2026","","","","","10.1039/D5NJ03734D","","x-ray","1.54184","CuKα","","0.0952","0.0922","","","0.2435","0.2471","","","","","","1.097","","","","has coordinates,has disorder","304156","2025-12-10","01:58:29",""
"7064155","12.5132","0.0001","18.0414","0.0001","13.3588","0.0001","90","","102.914","0.001","90","","2939.54","0.04","100","0.2","100","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C76 H64 N2 Na2 O2 -","- C76 H64 N2 Na2 O2 -","- C152 H128 N4 Na4 O4 -","2","0.5","","Bardonov, Daniil; Nasyrova, Darina; Metlin, Mikhail T.; Minyaev, Mikhail E.; Taydakov, Ilya V.; Roitershtein, Dmitrii M.","Synthesis, Structural and Photophysical Studies of Mono-and Dinuclear Alkali Metal 2,6-dibenzhydryl-4-methylphenolates","New Journal of Chemistry","2026","","","","","10.1039/D5NJ03734D","","x-ray","1.54184","CuKα","","0.0377","0.036","","","0.0919","0.0932","","","","","","1.037","","","","has coordinates","304156","2025-12-10","01:58:29",""
"7064156","11.1331","0.0003","11.7087","0.0002","11.9357","0.0003","86.021","0.0019","83.123","0.002","83.042","0.002","1530.92","0.06","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C81 H69 Li2 N3 O2 -","- C81 H69 Li2 N3 O2 -","- C81 H69 Li2 N3 O2 -","1","0.5","","Bardonov, Daniil; Nasyrova, Darina; Metlin, Mikhail T.; Minyaev, Mikhail E.; Taydakov, Ilya V.; Roitershtein, Dmitrii M.","Synthesis, Structural and Photophysical Studies of Mono-and Dinuclear Alkali Metal 2,6-dibenzhydryl-4-methylphenolates","New Journal of Chemistry","2026","","","","","10.1039/D5NJ03734D","","x-ray","1.54184","CuKα","","0.068","0.0643","","","0.1814","0.1858","","","","","","1.087","","","","has coordinates,has disorder","304156","2025-12-10","01:58:29",""
"7064157","8.9421","0.0001","11.338","0.0002","18.022","0.0002","74.276","0.001","81.494","0.001","78.602","0.001","1715.47","0.04","100","0.3","100","0.3","","","","","","","","5","P -1","-P 1","2","","","","- C42 H48 Li N3 O -","- C42 H48 Li N3 O -","- C84 H96 Li2 N6 O2 -","2","1","","Bardonov, Daniil; Nasyrova, Darina; Metlin, Mikhail T.; Minyaev, Mikhail E.; Taydakov, Ilya V.; Roitershtein, Dmitrii M.","Synthesis, Structural and Photophysical Studies of Mono-and Dinuclear Alkali Metal 2,6-dibenzhydryl-4-methylphenolates","New Journal of Chemistry","2026","","","","","10.1039/D5NJ03734D","","x-ray","1.54184","CuKα","","0.043","0.0416","","","0.1088","0.11","","","","","","1.044","","","","has coordinates,has disorder","304156","2025-12-10","01:58:29",""
"7064158","27.85728","0.00016","17.91332","0.00008","15.50682","0.00008","90","","100.643","0.0005","90","","7605.05","0.07","99.9","0.5","99.9","0.5","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C96 H84 Li2 N6 O2 -","- C86 H74 Li2 N4 O2 -","- C344 H296 Li8 N16 O8 -","4","0.5","","Bardonov, Daniil; Nasyrova, Darina; Metlin, Mikhail T.; Minyaev, Mikhail E.; Taydakov, Ilya V.; Roitershtein, Dmitrii M.","Synthesis, Structural and Photophysical Studies of Mono-and Dinuclear Alkali Metal 2,6-dibenzhydryl-4-methylphenolates","New Journal of Chemistry","2026","","","","","10.1039/D5NJ03734D","","x-ray","1.54184","CuKα","","0.0487","0.0473","","","0.1169","0.118","","","","","","1.031","","","","has coordinates,has disorder","304156","2025-12-10","01:58:29",""
"7064159","10.7669","0.0001","11.3608","0.0002","12.8692","0.0002","90.457","0.001","99.184","0.001","111.163","0.001","1445.5","0.04","99.9","0.5","99.9","0.5","","","","","","","","4","P -1","-P 1","2","","","","- C74 H70 K2 O4 -","- C74 H70 K2 O4 -","- C74 H70 K2 O4 -","1","0.5","","Bardonov, Daniil; Nasyrova, Darina; Metlin, Mikhail T.; Minyaev, Mikhail E.; Taydakov, Ilya V.; Roitershtein, Dmitrii M.","Synthesis, Structural and Photophysical Studies of Mono-and Dinuclear Alkali Metal 2,6-dibenzhydryl-4-methylphenolates","New Journal of Chemistry","2026","","","","","10.1039/D5NJ03734D","","x-ray","1.54184","CuKα","","0.0403","0.0399","","","0.1042","0.1046","","","","","","1.095","","","","has coordinates,has disorder","304156","2025-12-10","01:58:29",""
"7064160","12.3599","0.0001","15.1436","0.0002","16.7657","0.0002","90","","104.433","0.001","90","","3039.05","0.06","100","0.2","100","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C76 H64 K2 N2 O2 -","- C76 H64 K2 N2 O2 -","- C152 H128 K4 N4 O4 -","2","0.5","","Bardonov, Daniil; Nasyrova, Darina; Metlin, Mikhail T.; Minyaev, Mikhail E.; Taydakov, Ilya V.; Roitershtein, Dmitrii M.","Synthesis, Structural and Photophysical Studies of Mono-and Dinuclear Alkali Metal 2,6-dibenzhydryl-4-methylphenolates","New Journal of Chemistry","2026","","","","","10.1039/D5NJ03734D","","x-ray","1.54184","CuKα","","0.0403","0.0387","","","0.0999","0.1011","","","","","","1.043","","","","has coordinates,has disorder","304156","2025-12-10","01:58:29",""
"7064161","10.8054","0.0003","14.1131","0.0003","24.2657","0.0002","90.411","0.001","94.438","0.001","111.613","0.002","3427.44","0.13","99.9","0.2","99.9","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C88 H86 Li2 O4 -","- C88 H86 Li2 O4 -","- C176 H172 Li4 O8 -","2","1","","Bardonov, Daniil; Nasyrova, Darina; Metlin, Mikhail T.; Minyaev, Mikhail E.; Taydakov, Ilya V.; Roitershtein, Dmitrii M.","Synthesis, Structural and Photophysical Studies of Mono-and Dinuclear Alkali Metal 2,6-dibenzhydryl-4-methylphenolates","New Journal of Chemistry","2026","","","","","10.1039/D5NJ03734D","","x-ray","1.54184","CuKα","","0.1006","0.089","","","0.273","0.2842","","","","","","1.074","","","","has coordinates,has disorder","304156","2025-12-10","01:58:29",""
"7064162","13.1871","0.0001","19.1661","0.0001","17.4859","0.0001","90","","106.105","0.001","90","","4246.04","0.05","100","0.3","100","0.3","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C49 H59 Na O9 -","- C49 H59 Na O9 -","- C196 H236 Na4 O36 -","4","1","","Bardonov, Daniil; Nasyrova, Darina; Metlin, Mikhail T.; Minyaev, Mikhail E.; Taydakov, Ilya V.; Roitershtein, Dmitrii M.","Synthesis, Structural and Photophysical Studies of Mono-and Dinuclear Alkali Metal 2,6-dibenzhydryl-4-methylphenolates","New Journal of Chemistry","2026","","","","","10.1039/D5NJ03734D","","x-ray","1.54184","CuKα","","0.0362","0.0348","","","0.0872","0.0882","","","","","","1.032","","","","has coordinates,has disorder","304156","2025-12-10","01:58:29",""
"7064163","12.4199","0.0001","18.3706","0.0001","13.3175","0.0001","90","","103.379","0.001","90","","2956.07","0.04","100","0.2","100","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C74 H70 Na2 O4 -","- C74 H70 Na2 O4 -","- C148 H140 Na4 O8 -","2","0.5","","Bardonov, Daniil; Nasyrova, Darina; Metlin, Mikhail T.; Minyaev, Mikhail E.; Taydakov, Ilya V.; Roitershtein, Dmitrii M.","Synthesis, Structural and Photophysical Studies of Mono-and Dinuclear Alkali Metal 2,6-dibenzhydryl-4-methylphenolates","New Journal of Chemistry","2026","","","","","10.1039/D5NJ03734D","","x-ray","1.54184","CuKα","","0.0385","0.0365","","","0.0929","0.0942","","","","","","1.057","","","","has coordinates,has disorder","304156","2025-12-10","01:58:29",""
"7064164","12.2267","0.0001","14.8345","0.0001","17.1733","0.0001","90","","106.337","0.001","90","","2989.08","0.04","99.97","0.18","99.97","0.18","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C74 H70 K2 O4 -","- C74 H70 K2 O4 -","- C148 H140 K4 O8 -","2","0.5","","Bardonov, Daniil; Nasyrova, Darina; Metlin, Mikhail T.; Minyaev, Mikhail E.; Taydakov, Ilya V.; Roitershtein, Dmitrii M.","Synthesis, Structural and Photophysical Studies of Mono-and Dinuclear Alkali Metal 2,6-dibenzhydryl-4-methylphenolates","New Journal of Chemistry","2026","","","","","10.1039/D5NJ03734D","","x-ray","1.54184","CuKα","","0.0365","0.0357","","","0.0937","0.0943","","","","","","1.086","","","","has coordinates","304156","2025-12-10","01:58:29",""
"7064165","14.0182","0.0001","23.2391","0.0003","23.557","0.0003","90","","90.153","0.001","90","","7674.14","0.15","99.9","0.4","99.9","0.4","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C90 H103 K O11 -","- C89.996 H102.992 K O10.999 -","- C359.984 H411.968 K4 O43.996 -","4","1","","Bardonov, Daniil; Nasyrova, Darina; Metlin, Mikhail T.; Minyaev, Mikhail E.; Taydakov, Ilya V.; Roitershtein, Dmitrii M.","Synthesis, Structural and Photophysical Studies of Mono-and Dinuclear Alkali Metal 2,6-dibenzhydryl-4-methylphenolates","New Journal of Chemistry","2026","","","","","10.1039/D5NJ03734D","","x-ray","1.54184","CuKα","","0.06","0.0473","","","0.117","0.1246","","","","","","1.026","","","","has coordinates,has disorder","304156","2025-12-10","01:58:29",""
"7064166","11.0879","0.0002","13.4341","0.0002","14.7219","0.0002","80.838","0.001","68.502","0.001","72.663","0.001","1944.57","0.06","100","0.2","100","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C45 H51 Na O7 -","- C45 H51 Na O7 -","- C90 H102 Na2 O14 -","2","1","","Bardonov, Daniil; Nasyrova, Darina; Metlin, Mikhail T.; Minyaev, Mikhail E.; Taydakov, Ilya V.; Roitershtein, Dmitrii M.","Synthesis, Structural and Photophysical Studies of Mono-and Dinuclear Alkali Metal 2,6-dibenzhydryl-4-methylphenolates","New Journal of Chemistry","2026","","","","","10.1039/D5NJ03734D","","x-ray","1.54184","CuKα","","0.0338","0.0328","","","0.0825","0.0833","","","","","","1.031","","","","has coordinates","304156","2025-12-10","01:58:29",""
"7064167","10.7672","0.0001","27.4493","0.0002","12.3213","0.0001","90","","93.552","0.001","90","","3634.59","0.05","99.9","0.4","99.9","0.4","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C88.24 H98.46 Li2 O7.56 -","- C80.104 H82.208 Li2 O5.526 -","- C160.208 H164.416 Li4 O11.052 -","2","0.5","","Bardonov, Daniil; Nasyrova, Darina; Metlin, Mikhail T.; Minyaev, Mikhail E.; Taydakov, Ilya V.; Roitershtein, Dmitrii M.","Synthesis, Structural and Photophysical Studies of Mono-and Dinuclear Alkali Metal 2,6-dibenzhydryl-4-methylphenolates","New Journal of Chemistry","2026","","","","","10.1039/D5NJ03734D","","x-ray","1.54184","CuKα","","0.0583","0.0571","","","0.1526","0.1536","","","","","","1.041","","","","has coordinates,has disorder","304156","2025-12-10","01:58:29",""
"7064168","7.823","0.0001","15.2957","0.0002","16.3651","0.0002","90","","90","","90","","1958.22","0.04","149.99","0.1","149.99","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H25 N3 O5 Ru -","- C20 H25 N3 O5 Ru -","- C80 H100 N12 O20 Ru4 -","4","1","","Awe, Babatunde; Swart, Glendin; Erasmus, Elizabeth; Landman, Marilé; Malan, Frederick Pieter","Unlocking reactivity: synthetic, structural and catalytic exploration of ruthenium(II) complexes featuring pdc and NHC ligands","New Journal of Chemistry","2026","","","","","10.1039/D5NJ03988F","","x-ray","1.54184","CuKα","","0.0258","0.0253","","","0.0626","0.0628","","","","","","1.113","","","","has coordinates","304157","2025-12-10","02:01:11",""
"7064169","9.4175","0.0003","10.0566","0.0004","12.3547","0.0005","78.091","0.003","85.705","0.003","72.853","0.003","1093.89","0.07","150","0.02","150","0.02","","","","","","","","5","P -1","-P 1","2","","","","- C21 H27 N3 O6 Ru -","- C21 H27 N3 O6 Ru -","- C42 H54 N6 O12 Ru2 -","2","1","","Awe, Babatunde; Swart, Glendin; Erasmus, Elizabeth; Landman, Marilé; Malan, Frederick Pieter","Unlocking reactivity: synthetic, structural and catalytic exploration of ruthenium(II) complexes featuring pdc and NHC ligands","New Journal of Chemistry","2026","","","","","10.1039/D5NJ03988F","","x-ray","1.54184","CuKα","","0.0619","0.058","","","0.1524","0.1557","","","","","","1.034","","","","has coordinates","304157","2025-12-10","02:01:11",""
"7064170","8.2408","0.0002","10.3384","0.0003","14.7449","0.0004","109.197","0.002","91.635","0.002","112.158","0.002","1081.91","0.06","149.99","0.1","149.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C19 H25 N5 O6 Ru -","- C19 H25 N5 O6 Ru -","- C38 H50 N10 O12 Ru2 -","2","1","","Awe, Babatunde; Swart, Glendin; Erasmus, Elizabeth; Landman, Marilé; Malan, Frederick Pieter","Unlocking reactivity: synthetic, structural and catalytic exploration of ruthenium(II) complexes featuring pdc and NHC ligands","New Journal of Chemistry","2026","","","","","10.1039/D5NJ03988F","","x-ray","0.71073","MoKα","","0.0379","0.0322","","","0.0778","0.0804","","","","","","1.061","","","","has coordinates","304157","2025-12-10","02:01:11",""
"7064171","9.9781","0.0002","12.8763","0.0002","15.9233","0.0003","81.329","0.002","75.973","0.002","72.202","0.002","1883.32","0.06","149.99","0.1","149.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C35 H34 Cl6 N4 O6 Ru -","- C35 H34 Cl6 N4 O6 Ru -","- C70 H68 Cl12 N8 O12 Ru2 -","2","1","","Awe, Babatunde; Swart, Glendin; Erasmus, Elizabeth; Landman, Marilé; Malan, Frederick Pieter","Unlocking reactivity: synthetic, structural and catalytic exploration of ruthenium(II) complexes featuring pdc and NHC ligands","New Journal of Chemistry","2026","","","","","10.1039/D5NJ03988F","","x-ray","0.71073","MoKα","","0.0334","0.0287","","","0.0737","0.0758","","","","","","1.047","","","","has coordinates,has disorder","304157","2025-12-10","02:01:11",""
"7064172","8.3578","0.0001","13.6138","0.0003","14.4275","0.0002","108.467","0.002","104.556","0.001","107.864","0.002","1367.11","0.05","150","0.02","150","0.02","","","","","","","","6","P -1","-P 1","2","","","","- C28 H28 Cl2 N4 O4 Ru -","- C28 H28 Cl2 N4 O4 Ru -","- C56 H56 Cl4 N8 O8 Ru2 -","2","1","","Awe, Babatunde; Swart, Glendin; Erasmus, Elizabeth; Landman, Marilé; Malan, Frederick Pieter","Unlocking reactivity: synthetic, structural and catalytic exploration of ruthenium(II) complexes featuring pdc and NHC ligands","New Journal of Chemistry","2026","","","","","10.1039/D5NJ03988F","","x-ray","1.54184","CuKα","","0.0329","0.0323","","","0.0836","0.084","","","","","","1.055","","","","has coordinates","304157","2025-12-10","02:01:11",""
"7064173","12.9825","0.0003","13.1403","0.0002","13.4427","0.0003","90","","90","","90","","2293.24","0.08","149.99","0.1","149.99","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H24 N4 O4 Ru -","- C26 H24 N4 O4 Ru -","- C104 H96 N16 O16 Ru4 -","4","1","","Awe, Babatunde; Swart, Glendin; Erasmus, Elizabeth; Landman, Marilé; Malan, Frederick Pieter","Unlocking reactivity: synthetic, structural and catalytic exploration of ruthenium(II) complexes featuring pdc and NHC ligands","New Journal of Chemistry","2026","","","","","10.1039/D5NJ03988F","","x-ray","0.71073","MoKα","","0.0368","0.0299","","","0.069","0.0713","","","","","","1.024","","","","has coordinates","304157","2025-12-10","02:01:11",""
"7064174","17.2384","0.0001","14.0947","0.0001","9.534","0.0001","90","","93.494","0.001","90","","2312.17","0.03","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H29 N3 O4 Ru -","- C27 H29 N3 O4 Ru -","- C108 H116 N12 O16 Ru4 -","4","1","","Awe, Babatunde; Swart, Glendin; Erasmus, Elizabeth; Landman, Marilé; Malan, Frederick Pieter","Unlocking reactivity: synthetic, structural and catalytic exploration of ruthenium(II) complexes featuring pdc and NHC ligands","New Journal of Chemistry","2026","","","","","10.1039/D5NJ03988F","","x-ray","1.54184","CuKα","","0.0283","0.0276","","","0.0715","0.0719","","","","","","1.099","","","","has coordinates","304157","2025-12-10","02:01:11",""
"7064175","12.99141","0.00015","14.05629","0.00016","12.95619","0.00016","90","","90","","90","","2365.94","0.05","150","0.1","150","0.1","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C26 H26 N4 O6 Ru -","- C26 H26 N4 O6 Ru -","- C104 H104 N16 O24 Ru4 -","4","1","","Awe, Babatunde; Swart, Glendin; Erasmus, Elizabeth; Landman, Marilé; Malan, Frederick Pieter","Unlocking reactivity: synthetic, structural and catalytic exploration of ruthenium(II) complexes featuring pdc and NHC ligands","New Journal of Chemistry","2026","","","","","10.1039/D5NJ03988F","","x-ray","1.54184","CuKα","","0.0421","0.0415","","","0.1178","0.1186","","","","","","1.156","","","","has coordinates","304157","2025-12-10","02:01:11",""
"7064176","9.9817","0.0005","14.0691","0.0008","26.5049","0.0015","90","","93.04","0.004","90","","3716.9","0.4","149.98","0.1","149.98","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C136 H136.2 Cl17.37 N20 O35.2 Ru4 -","- C136 H136.2 Cl17.372 N20 O35.2 Ru4 -","- C136 H136.2 Cl17.372 N20 O35.2 Ru4 -","1","0.25","","Awe, Babatunde; Swart, Glendin; Erasmus, Elizabeth; Landman, Marilé; Malan, Frederick Pieter","Unlocking reactivity: synthetic, structural and catalytic exploration of ruthenium(II) complexes featuring pdc and NHC ligands","New Journal of Chemistry","2026","","","","","10.1039/D5NJ03988F","","x-ray","1.54184","CuKα","","0.1276","0.1017","","","0.2606","0.2764","","","","","","1.066","","","","has coordinates,has disorder","304157","2025-12-10","02:01:11",""
"7064177","13.3048","0.0001","13.5619","0.0002","12.1496","0.0001","90","","96.67","0.001","90","","2177.42","0.04","149.99","0.1","149.99","0.1","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C46 H53 N6 O8 Ru2 -","- C46 H53 N6 O8 Ru2 -","- C92 H106 N12 O16 Ru4 -","2","0.25","","Awe, Babatunde; Swart, Glendin; Erasmus, Elizabeth; Landman, Marilé; Malan, Frederick Pieter","Unlocking reactivity: synthetic, structural and catalytic exploration of ruthenium(II) complexes featuring pdc and NHC ligands","New Journal of Chemistry","2026","","","","","10.1039/D5NJ03988F","","x-ray","1.54184","CuKα","","0.0368","0.0367","","","0.0798","0.0799","","","","","","1.139","","","","has coordinates,has disorder","304157","2025-12-10","02:01:11",""
"7064178","17.2442","0.0001","12.159","0.0001","22.0006","0.0002","90","","90","","90","","4612.91","0.06","149.99","0.1","149.99","0.1","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C26 H27 N3 O4 Ru -","- C26 H27 N3 O4 Ru -","- C208 H216 N24 O32 Ru8 -","8","2","","Awe, Babatunde; Swart, Glendin; Erasmus, Elizabeth; Landman, Marilé; Malan, Frederick Pieter","Unlocking reactivity: synthetic, structural and catalytic exploration of ruthenium(II) complexes featuring pdc and NHC ligands","New Journal of Chemistry","2026","","","","","10.1039/D5NJ03988F","","x-ray","1.54184","CuKα","","0.0343","0.0324","","","0.0787","0.0794","","","","","","1.124","","","","has coordinates","304157","2025-12-10","02:01:11",""
"7064179","9.7789","0.0008","10.0997","0.0009","10.8427","0.0009","74.531","0.003","64.202","0.003","79.03","0.003","925.81","0.14","150","0.02","150","0.02","","","","","","","","5","P -1","-P 1","2","","","","- C18 H21 N3 O5 Ru -","- C18 H21 N3 O5 Ru -","- C36 H42 N6 O10 Ru2 -","2","1","","Awe, Babatunde; Swart, Glendin; Erasmus, Elizabeth; Landman, Marilé; Malan, Frederick Pieter","Unlocking reactivity: synthetic, structural and catalytic exploration of ruthenium(II) complexes featuring pdc and NHC ligands","New Journal of Chemistry","2026","","","","","10.1039/D5NJ03988F","","","0.71073","MoKα","","0.0578","0.0437","","","0.0959","0.103","","","","","","1.061","","","","has coordinates","304157","2025-12-10","02:01:11",""
"7064180","14.775","0.001","12.4393","0.0009","22.4001","0.0016","90","","90","","90","","4116.9","0.5","99.99","","99.99","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C45 H61 N4 Nd O5 -","- C45 H61 N4 Nd O5 -","- C180 H244 N16 Nd4 O20 -","4","1","","Massoud, Salah S.; Louka, Febee R.; Guizouarn, Thierry; Fischer, Roland C.; Torvisco, Ana; Mautner, Franz A.; Smith, Asia M.; Salem, Nahed M. H.; Velmurugan, Gunasekaran; Comba, Peter; Pointillart, Fabrice","Structural and magnetic properties of lanthanide–tetraphenol–cyclen complexes: slow magnetic relaxation of the Nd(iii) complex","New Journal of Chemistry","2026","","","","","10.1039/D5NJ03826J","","x-ray","0.71073","MoKα","","0.0949","0.0414","","","0.0634","0.0765","","","","","","0.983","","","","has coordinates","304158","2025-12-10","02:03:28",""
"7064181","14.9515","0.0007","12.4578","0.0006","22.3763","0.0011","90","","90","","90","","4167.9","0.3","99.97","","99.97","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C45 H61 Ho N4 O5 -","- C45 H61 Ho N4 O5 -","- C180 H244 Ho4 N16 O20 -","4","1","","Massoud, Salah S.; Louka, Febee R.; Guizouarn, Thierry; Fischer, Roland C.; Torvisco, Ana; Mautner, Franz A.; Smith, Asia M.; Salem, Nahed M. H.; Velmurugan, Gunasekaran; Comba, Peter; Pointillart, Fabrice","Structural and magnetic properties of lanthanide–tetraphenol–cyclen complexes: slow magnetic relaxation of the Nd(iii) complex","New Journal of Chemistry","2026","","","","","10.1039/D5NJ03826J","","x-ray","0.71073","MoKα","","0.0365","0.0274","","","0.0572","0.0614","","","","","","1.044","","","","has coordinates","304158","2025-12-10","02:03:28",""
"7064182","13.1871","0.0006","18.6904","0.0008","17.053","0.0006","90","","102.217","0.002","90","","4107.9","0.3","100","2","99.99","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H49 Cl4 Ho N4 O6 -","- C40 H49 Cl4 Ho N4 O6 -","- C160 H196 Cl16 Ho4 N16 O24 -","4","1","","Massoud, Salah S.; Louka, Febee R.; Guizouarn, Thierry; Fischer, Roland C.; Torvisco, Ana; Mautner, Franz A.; Smith, Asia M.; Salem, Nahed M. H.; Velmurugan, Gunasekaran; Comba, Peter; Pointillart, Fabrice","Structural and magnetic properties of lanthanide–tetraphenol–cyclen complexes: slow magnetic relaxation of the Nd(iii) complex","New Journal of Chemistry","2026","","","","","10.1039/D5NJ03826J","","","0.71073","MoKα","","0.0506","0.0327","","","0.055","0.059","","","","","","1.041","","","","has coordinates,has disorder","304158","2025-12-10","02:03:28",""
"7064183","14.8229","0.0004","12.4491","0.0004","22.4326","0.0008","90","","90","","90","","4139.5","0.2","99.98","","99.98","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C45 H61 Gd N4 O5 -","- C45 H61 Gd N4 O5 -","- C180 H244 Gd4 N16 O20 -","4","1","","Massoud, Salah S.; Louka, Febee R.; Guizouarn, Thierry; Fischer, Roland C.; Torvisco, Ana; Mautner, Franz A.; Smith, Asia M.; Salem, Nahed M. H.; Velmurugan, Gunasekaran; Comba, Peter; Pointillart, Fabrice","Structural and magnetic properties of lanthanide–tetraphenol–cyclen complexes: slow magnetic relaxation of the Nd(iii) complex","New Journal of Chemistry","2026","","","","","10.1039/D5NJ03826J","","x-ray","0.71073","MoKα","","0.0528","0.0409","","","0.0698","0.0734","","","","","","1.054","","","","has coordinates","304158","2025-12-10","02:03:28",""
"7064184","12.6177","0.0013","15.4777","0.0013","12.2452","0.0014","90","","108.818","0.012","90","","2263.6","0.4","291","2","291","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H17 Br2 Cu N2 O P -","- C24 H17 Br2 Cu N2 O P -","- C96 H68 Br8 Cu4 N8 O4 P4 -","4","1","","Savinykh, P. E.; Golubeva, Yu. A.; Smirnova, K. S.; Klyushova, L. S.; Sadykov, E. H.; Artem’ev, A. V.; Lider, E. V.","Copper(ii) complexes with a hybrid phosphinyl-phenanthroline ligand: synthesis, crystal structures and effect of phosphinyl functionalization on the cytotoxicity","New Journal of Chemistry","2026","","","","","10.1039/D5NJ03235K","","x-ray","0.71073","MoKα","","0.0684","0.0384","","","0.064","0.0774","","","","","","0.978","","","","has coordinates","304159","2025-12-10","02:04:14",""
"7064185","26.2356","0.0016","14.0647","0.0009","17.007","0.0011","90","","127.544","0.003","90","","4975.8","0.6","150","","150","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C52 H47 Cl4 Cu2 N4 O5 P2 -","- C52 H47 Cl4 Cu2 N4 O5 P2 -","- C208 H188 Cl16 Cu8 N16 O20 P8 -","4","0.5","","Savinykh, P. E.; Golubeva, Yu. A.; Smirnova, K. S.; Klyushova, L. S.; Sadykov, E. H.; Artem’ev, A. V.; Lider, E. V.","Copper(ii) complexes with a hybrid phosphinyl-phenanthroline ligand: synthesis, crystal structures and effect of phosphinyl functionalization on the cytotoxicity","New Journal of Chemistry","2026","","","","","10.1039/D5NJ03235K","","","1.54178","CuKα","","0.0607","0.0489","","","0.1297","0.138","","","","","","1.032","","","","has coordinates","304159","2025-12-10","02:04:14",""
"7064186","10.4842","0.0007","29.141","0.002","11.2189","0.0009","90","","108.009","0.005","90","","3259.7","0.4","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H27 Cu N6 O8 P -","- C34 H27 Cu N6 O8 P -","- C136 H108 Cu4 N24 O32 P4 -","4","1","","Savinykh, P. E.; Golubeva, Yu. A.; Smirnova, K. S.; Klyushova, L. S.; Sadykov, E. H.; Artem’ev, A. V.; Lider, E. V.","Copper(ii) complexes with a hybrid phosphinyl-phenanthroline ligand: synthesis, crystal structures and effect of phosphinyl functionalization on the cytotoxicity","New Journal of Chemistry","2026","","","","","10.1039/D5NJ03235K","","","1.54178","CuKα","","0.0736","0.0531","","","0.1312","0.1432","","","","","","1.028","","","","has coordinates","304159","2025-12-10","02:04:14",""
"7064187","16.7337","0.0006","14.1267","0.0004","13.8407","0.0005","90","","112.985","0.001","90","","3012.07","0.18","298","2","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H33 Cl2 N7 Ni O8 -","- C26 H33 Cl2 N7 Ni O8 -","- C104 H132 Cl8 N28 Ni4 O32 -","4","1","","Hu, Jinlin; Qi, Zhichao; Zhang, Lianghui; Liang, Xiangming; Lin, Junqi; Ruan, Zhijun; Liu, Shanshan","Electrocatalytic water oxidation by nickel complexes: The effect of coordination number and ligand backbone structure on catalytic properties","New Journal of Chemistry","2026","","","","","10.1039/D5NJ03749B","","","0.71073","MoKα","","0.0751","0.0522","","","0.1323","0.1519","","","","","","1.0206","","","","has coordinates","304160","2025-12-10","02:05:05",""
"7064188","17.933","0.003","8.9773","0.0017","17.496","0.004","90","","112.996","0.006","90","","2592.8","0.9","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H31 Cl2 N5 Ni O10 -","- C19 H31 Cl2 N5 Ni O10 -","- C76 H124 Cl8 N20 Ni4 O40 -","4","1","","Hu, Jinlin; Qi, Zhichao; Zhang, Lianghui; Liang, Xiangming; Lin, Junqi; Ruan, Zhijun; Liu, Shanshan","Electrocatalytic water oxidation by nickel complexes: The effect of coordination number and ligand backbone structure on catalytic properties","New Journal of Chemistry","2026","","","","","10.1039/D5NJ03749B","","","0.71073","MoKα","","0.0657","0.049","","","0.1272","0.1407","","","","","","1.039","","","","has coordinates","304160","2025-12-10","02:05:05",""
"7064189","12.7277","0.0003","13.6449","0.0004","21.3554","0.0007","90","","101.521","0.001","90","","3634.03","0.18","150","2","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C55 H92 B42 P2 -","- C55 H92 B42 P2 -","- C110 H184 B84 P4 -","2","0.5","","Sokolov, Vladislav A.; Bakulina, Olga; Boyarskaya, Irina A.; Spiridonova, Dar'ya V.; Kryukova, Mariya A.; Vasilyev, Aleksander","Synthesis of CCl3-substituted amides, ketones, indenes by intermolecular reactions of β-CCl3-enones or β-CCl3-β-hydroxy ketones with various nucleophiles in CF3SO3H","New Journal of Chemistry","2026","","","","","10.1039/D5NJ03928B","","","0.71073","MoKα","","0.1125","0.0688","","","0.1687","0.221","","","","","","1.133","","","","has coordinates,has disorder","304161","2025-12-10","02:06:51",""
"7064190","5.7645","0.0001","12.1514","0.0002","18.0507","0.0002","90","","90","","90","","1264.39","0.03","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H8 Cl3 F3 O -","- C11 H8 Cl3 F3 O -","- C44 H32 Cl12 F12 O4 -","4","1","","Sokolov, Vladislav A.; Bakulina, Olga; Boyarskaya, Irina A.; Spiridonova, Dar'ya V.; Kryukova, Mariya A.; Vasilyev, Aleksander","Synthesis of CCl3-substituted amides, ketones, indenes by intermolecular reactions of β-CCl3-enones or β-CCl3-β-hydroxy ketones with various nucleophiles in CF3SO3H","New Journal of Chemistry","2026","","","","","10.1039/D5NJ03928B","","x-ray","1.54184","CuKα","","0.0296","0.0292","","","0.0733","0.0737","","","","","","1.042","","","","has coordinates,has disorder","304161","2025-12-10","02:06:51",""
"7064191","11.4018","0.0003","19.0846","0.0006","17.3716","0.0006","90","","102.358","0.001","90","","3692.5","0.2","150","2","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H51 B21 N2 -","- C27 H51 B21 N2 -","- C108 H204 B84 N8 -","4","1","","Sokolov, Vladislav A.; Bakulina, Olga; Boyarskaya, Irina A.; Spiridonova, Dar'ya V.; Kryukova, Mariya A.; Vasilyev, Aleksander","Synthesis of CCl3-substituted amides, ketones, indenes by intermolecular reactions of β-CCl3-enones or β-CCl3-β-hydroxy ketones with various nucleophiles in CF3SO3H","New Journal of Chemistry","2026","","","","","10.1039/D5NJ03928B","","","0.71073","MoKα","","0.0663","0.0492","","","0.1233","0.1353","","","","","","1.061","","","","has coordinates","304161","2025-12-10","02:06:51",""
"7064192","11.9375","0.0004","13.5556","0.0003","9.6733","0.0003","90","","112.902","0.004","90","","1441.94","0.08","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 Cl4 N O2 -","- C12 H11 Cl4 N O2 -","- C48 H44 Cl16 N4 O8 -","4","1","","Sokolov, Vladislav A.; Bakulina, Olga; Boyarskaya, Irina A.; Spiridonova, Dar'ya V.; Kryukova, Mariya A.; Vasilyev, Aleksander","Synthesis of CCl3-substituted amides, ketones, indenes by intermolecular reactions of β-CCl3-enones or β-CCl3-β-hydroxy ketones with various nucleophiles in CF3SO3H","New Journal of Chemistry","2026","","","","","10.1039/D5NJ03928B","","x-ray","1.54184","CuKα","","0.0421","0.0411","","","0.1199","0.1209","","","","","","1.107","","","","has coordinates","304161","2025-12-10","02:06:51",""
"7064193","10.7611","0.0004","14.019","0.0004","9.5719","0.0003","90","","109.786","0.004","90","","1358.77","0.08","99.99","0.1","99.99","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 Cl3 N O2 -","- C12 H11 Cl3 N O2 -","- C48 H44 Cl12 N4 O8 -","4","1","","Sokolov, Vladislav A.; Bakulina, Olga; Boyarskaya, Irina A.; Spiridonova, Dar'ya V.; Kryukova, Mariya A.; Vasilyev, Aleksander","Synthesis of CCl3-substituted amides, ketones, indenes by intermolecular reactions of β-CCl3-enones or β-CCl3-β-hydroxy ketones with various nucleophiles in CF3SO3H","New Journal of Chemistry","2026","","","","","10.1039/D5NJ03928B","","x-ray","1.54184","CuKα","","0.0491","0.043","","","0.1183","0.1222","","","","","","1.155","","","","has coordinates","304161","2025-12-10","02:06:51",""
"7064194","11.2258","0.0002","13.766","0.0003","15.1288","0.0003","90","","93.525","0.002","90","","2333.5","0.08","99.99","0.11","99.99","0.11","","","","","","","","4","I 1 a 1","I -2ya","9","","","","- C20 H16 Cl8 O2 -","- C20 H16 Cl8 O2 -","- C80 H64 Cl32 O8 -","4","1","","Sokolov, Vladislav A.; Bakulina, Olga; Boyarskaya, Irina A.; Spiridonova, Dar'ya V.; Kryukova, Mariya A.; Vasilyev, Aleksander","Synthesis of CCl3-substituted amides, ketones, indenes by intermolecular reactions of β-CCl3-enones or β-CCl3-β-hydroxy ketones with various nucleophiles in CF3SO3H","New Journal of Chemistry","2026","","","","","10.1039/D5NJ03928B","","x-ray","1.54184","CuKα","","0.0317","0.0312","","","0.0884","0.0896","","","","","","0.801","","","","has coordinates","304161","2025-12-10","02:06:51",""
"7064195","9.2834","0.0002","11.5385","0.0004","16.7356","0.0002","76.702","0.002","83.835","0.002","75.793","0.002","1688.77","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H18 Cl3 N O2 -","- C15 H18 Cl3 N O2 -","- C60 H72 Cl12 N4 O8 -","4","2","","Sokolov, Vladislav A.; Bakulina, Olga; Boyarskaya, Irina A.; Spiridonova, Dar'ya V.; Kryukova, Mariya A.; Vasilyev, Aleksander","Synthesis of CCl3-substituted amides, ketones, indenes by intermolecular reactions of β-CCl3-enones or β-CCl3-β-hydroxy ketones with various nucleophiles in CF3SO3H","New Journal of Chemistry","2026","","","","","10.1039/D5NJ03928B","","x-ray","1.54184","CuKα","","0.0386","0.0351","","","0.0962","0.0988","","","","","","1.063","","","","has coordinates","304161","2025-12-10","02:06:51",""
"7064196","39.1114","0.0007","39.1114","0.0007","5.8755","0.0001","90","","90","","120","","7783.6","0.2","100.01","0.1","100.01","0.1","","","","","","","","5","R -3 :H","-R 3","148","","","","- C48 H36 Br3 Cl9 O6 -","- C48 H36 Br3 Cl9 O6 -","- C288 H216 Br18 Cl54 O36 -","6","0.333333","","Sokolov, Vladislav A.; Bakulina, Olga; Boyarskaya, Irina A.; Spiridonova, Dar'ya V.; Kryukova, Mariya A.; Vasilyev, Aleksander","Synthesis of CCl3-substituted amides, ketones, indenes by intermolecular reactions of β-CCl3-enones or β-CCl3-β-hydroxy ketones with various nucleophiles in CF3SO3H","New Journal of Chemistry","2026","","","","","10.1039/D5NJ03928B","","x-ray","1.54184","CuKα","","0.0453","0.0431","","","0.1424","0.1442","","","","","","1.124","","","","has coordinates","304161","2025-12-10","02:06:51",""
"7064197","10.6621","0.0005","11.0433","0.0005","16.7913","0.0008","94.433","0.002","106.841","0.003","97.095","0.002","1864.45","0.15","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H41 B21 Cl2 F3 P -","- C25 H41 B21 Cl2 F3 P -","- C50 H82 B42 Cl4 F6 P2 -","2","1","","Sokolov, Vladislav A.; Bakulina, Olga; Boyarskaya, Irina A.; Spiridonova, Dar'ya V.; Kryukova, Mariya A.; Vasilyev, Aleksander","Synthesis of CCl3-substituted amides, ketones, indenes by intermolecular reactions of β-CCl3-enones or β-CCl3-β-hydroxy ketones with various nucleophiles in CF3SO3H","New Journal of Chemistry","2026","","","","","10.1039/D5NJ03928B","","","0.71073","MoKα","","0.0754","0.0521","","","0.121","0.1448","","","","","","1.088","","","","has coordinates","304161","2025-12-10","02:06:51",""
"7064198","15.269","0.003","16.88","0.003","10.1723","0.0014","90","","90","","90","","2621.8","0.8","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H36 B21 N -","- C13 H36 B21 N -","- C52 H144 B84 N4 -","4","1","","Sokolov, Vladislav A.; Bakulina, Olga; Boyarskaya, Irina A.; Spiridonova, Dar'ya V.; Kryukova, Mariya A.; Vasilyev, Aleksander","Synthesis of CCl3-substituted amides, ketones, indenes by intermolecular reactions of β-CCl3-enones or β-CCl3-β-hydroxy ketones with various nucleophiles in CF3SO3H","New Journal of Chemistry","2026","","","","","10.1039/D5NJ03928B","","","0.71073","MoKα","","0.0846","0.0585","","","0.1439","0.1666","","","","","","1.077","","","","has coordinates","304161","2025-12-10","02:06:51",""
"7064199","10.3795","0.0008","11.6288","0.0009","18.0566","0.0012","76.631","0.002","82.103","0.002","88.428","0.002","2100.3","0.3","150","2","150","","","","","","","","","6","P -1","-P 1","2","","","","- C29 H60 B21 F5 N P -","- C29 H60 B21 F5 N P -","- C58 H120 B42 F10 N2 P2 -","2","1","","Sokolov, Vladislav A.; Bakulina, Olga; Boyarskaya, Irina A.; Spiridonova, Dar'ya V.; Kryukova, Mariya A.; Vasilyev, Aleksander","Synthesis of CCl3-substituted amides, ketones, indenes by intermolecular reactions of β-CCl3-enones or β-CCl3-β-hydroxy ketones with various nucleophiles in CF3SO3H","New Journal of Chemistry","2026","","","","","10.1039/D5NJ03928B","","","0.71073","MoKα","","0.0962","0.0645","","","0.1718","0.2094","","","","","","1.128","","","","has coordinates,has disorder","304161","2025-12-10","02:06:51",""
"7064200","10.6905","0.0007","17.266","0.001","24.5759","0.0013","90","","90","","90","","4536.3","0.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H31 Br2 Co N3 -","- C21 H31 Br2 Co N3 -","- C168 H248 Br16 Co8 N24 -","8","1","","Das, Anjan; Mukhopadhyay, Titas Kumar; Maitra, Biswajit; Pal, Dibyendu; Mondal, Moumita","A Comparison of Structure-Activity Relationships between Bis(imino)Pyridine Pincers of Nickel and Cobalt for Electrochemical Reduction of CO2","New Journal of Chemistry","2026","","","","","10.1039/D5NJ02563J","","x-ray","0.71073","MoKα","","0.0763","0.0416","","","0.081","0.0953","","","","","","1.035","","","","has coordinates","304173","2025-12-11","01:45:58",""
"7064201","10.7374","0.0006","17.0804","0.0009","24.3869","0.0013","90","","90","","90","","4472.5","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H31 Br2 N3 Ni -","- C21 H31 Br2 N3 Ni -","- C168 H248 Br16 N24 Ni8 -","8","1","","Das, Anjan; Mukhopadhyay, Titas Kumar; Maitra, Biswajit; Pal, Dibyendu; Mondal, Moumita","A Comparison of Structure-Activity Relationships between Bis(imino)Pyridine Pincers of Nickel and Cobalt for Electrochemical Reduction of CO2","New Journal of Chemistry","2026","","","","","10.1039/D5NJ02563J","","x-ray","0.71073","MoKα","","0.0757","0.0473","","","0.1035","0.1166","","","","","","1.081","","","","has coordinates","304173","2025-12-11","01:45:58",""
"7064202","27.395","0.002","6.8515","0.0006","13.3173","0.0012","90","","91.411","0.009","90","","2498.9","0.4","291","3","291","3","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C18 H26 Cu N4 O12 S2 -","- C18 H26 Cu N4 O12 S2 -","- C72 H104 Cu4 N16 O48 S8 -","4","1","","He, Jiechen; Chen, Feirong; Lin, Chenxin; Chen, Yaozong; Liu, Lizhen; Yao, Zizhu","Proton conductivity and dielectric anomalies in a chain-based metal-organic framework with a hydrogen-bonded network of [SO3] groups, pyrazine and water molecules","New Journal of Chemistry","2026","","","","","10.1039/D5NJ04186D","","x-ray","1.54184","CuKα","","0.1357","0.0915","","","0.2747","0.3257","","","","","","1.115","","","","has coordinates","304174","2025-12-11","01:46:47",""
"7064203","11.1502","0.0011","13.1951","0.0012","21.366","0.002","90.63","0.003","102.445","0.003","105.565","0.003","2949.2","0.5","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C42 H44 Cu Mo8 N12 O27 -","- C42 H44 Cu Mo8 N12 O27 -","- C84 H88 Cu2 Mo16 N24 O54 -","2","1","","Ge, Meng; Yu, Shuang; Yuan, Linyue; Zang, Hong-Ying","Construction and proton conductivity of a POMs-based compound based on different isomers of [Mo8O26]4- ions","New Journal of Chemistry","2026","","","","","10.1039/D5NJ04210K","","x-ray","0.71073","MoKα","K-L~3~","0.0498","0.0353","","","0.0754","0.0853","","","","","","1.054","","","","has coordinates","304183","2025-12-12","01:52:05",""
"7064204","17.9807","0.0002","17.9807","0.0002","16.7565","0.0003","90","","90","","90","","5417.47","0.13","293","","293","","","","","","","","","8","P 4/n :2","-P 4a","85","","","","- C84 H114 Cu4 N16 Ni2 O13 P4 S12 -","- C84 H108 Cu4 N16 Ni2 O10 P4 S12 -","- C168 H216 Cu8 N32 Ni4 O20 P8 S24 -","2","0.25","","Chaturvedi, Nishtha; Pandey, Vinay Kumar; Tiwari, Vinod K.; Bhattacharya, Subrato","Tunable Cu-Ni phosphine-thiolate complexes as water-compatible catalyst for base-free click chemistry","New Journal of Chemistry","2026","","","","","10.1039/D5NJ03825A","","x-ray","1.54184","CuKα","","0.0985","0.0871","","","0.2576","0.2692","","","","","","1.118","","","","has coordinates,has disorder","304184","2025-12-12","01:52:40",""
"7064205","8.3069","0.0002","14.2107","0.0003","20.9064","0.0003","96.525","0.001","98.97","0.001","100.841","0.002","2368.11","0.09","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H38 N4 Ni O P3 S6 -","- C43 H38 N4 Ni O P3 S6 -","- C86 H76 N8 Ni2 O2 P6 S12 -","2","1","","Chaturvedi, Nishtha; Pandey, Vinay Kumar; Tiwari, Vinod K.; Bhattacharya, Subrato","Tunable Cu-Ni phosphine-thiolate complexes as water-compatible catalyst for base-free click chemistry","New Journal of Chemistry","2026","","","","","10.1039/D5NJ03825A","","x-ray","1.54184","CuKα","","0.0558","0.0428","","","0.104","0.11","","","","","","1.051","","","","has coordinates,has disorder","304184","2025-12-12","01:52:40",""
"7064206","13.0359","0.0003","13.8734","0.0004","14.836","0.0004","117.864","0.003","91.092","0.002","113.985","0.002","2093.38","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C85 H78.5 Cu2 N5.5 P6 S6 -","- C85 H78.5 Cu2 N5.5 P6 S6 -","- C85 H78.5 Cu2 N5.5 P6 S6 -","1","0.5","","Chaturvedi, Nishtha; Pandey, Vinay Kumar; Tiwari, Vinod K.; Bhattacharya, Subrato","Tunable Cu-Ni phosphine-thiolate complexes as water-compatible catalyst for base-free click chemistry","New Journal of Chemistry","2026","","","","","10.1039/D5NJ03825A","","x-ray","1.54184","CuKα","","0.0809","0.0672","","","0.1777","0.1859","","","","","","1.065","","","","has coordinates","304184","2025-12-12","01:52:40",""
"7064207","8.6151","0.0002","13.345","0.0002","14.503","0.0003","97.283","0.002","102.476","0.002","90.793","0.002","1613.42","0.06","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C15 H18 Cl2 Cu N3 O0.5 -","- C15 H18 Cl2 Cu N3 O0.5 -","- C60 H72 Cl8 Cu4 N12 O2 -","4","2","","Ganesh, Yamuna; Devaraj , Karthickram; Palani, Narasimman; Bhuvanesh, Nattamai S. P.; Karuppasamy, Sundaravel","Copper(II) Complexes of Dipica and Its Derivatives as Biomimetic Models for Phenoxazinone Synthase: Probing the Effect of Central N-cycloalkyl Rings on Reactivity","New Journal of Chemistry","2026","","","","","10.1039/D5NJ04085J","","x-ray","1.54184","CuKα","","0.0384","0.0372","","","0.1102","0.1118","","","","","","1.062","","","","has coordinates","304185","2025-12-12","01:53:19",""
"7064208","11.8525","0.0008","13.3585","0.0009","13.5704","0.0009","90","","114.875","0.002","90","","1949.3","0.2","110","","110","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H25 Cl2 Cu N3 -","- C19 H25 Cl2 Cu N3 -","- C76 H100 Cl8 Cu4 N12 -","4","1","","Ganesh, Yamuna; Devaraj , Karthickram; Palani, Narasimman; Bhuvanesh, Nattamai S. P.; Karuppasamy, Sundaravel","Copper(II) Complexes of Dipica and Its Derivatives as Biomimetic Models for Phenoxazinone Synthase: Probing the Effect of Central N-cycloalkyl Rings on Reactivity","New Journal of Chemistry","2026","","","","","10.1039/D5NJ04085J","","","0.71073","MoKα","","0.046","0.0331","","","0.0672","0.0711","","","","","","1.05","","","","has coordinates","304185","2025-12-12","01:53:19",""
"7064209","8.016","0.0001","13.916","0.0002","15.2343","0.0002","90","","92.44","0.001","90","","1697.86","0.04","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H21 Cl2 Cu N3 -","- C17 H21 Cl2 Cu N3 -","- C68 H84 Cl8 Cu4 N12 -","4","1","","Ganesh, Yamuna; Devaraj , Karthickram; Palani, Narasimman; Bhuvanesh, Nattamai S. P.; Karuppasamy, Sundaravel","Copper(II) Complexes of Dipica and Its Derivatives as Biomimetic Models for Phenoxazinone Synthase: Probing the Effect of Central N-cycloalkyl Rings on Reactivity","New Journal of Chemistry","2026","","","","","10.1039/D5NJ04085J","","x-ray","1.54184","CuKα","","0.0273","0.0258","","","0.0676","0.0686","","","","","","1.063","","","","has coordinates","304185","2025-12-12","01:53:19",""
"7064210","3.9116","0.0002","15.1339","0.0008","14.4893","0.0008","90","","94.788","0.003","90","","854.74","0.08","100.15","","100.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C7 H5 Cl2 N O Se -","- C7 H5 Cl2 N O Se -","- C28 H20 Cl8 N4 O4 Se4 -","4","1","","MacDougall, Phillip; Zeng, Mich Wenshi; Wang, Jin; Ho, Peter Cheng-Wei; Vargas-Baca, Ignacio","From Fluorine Chemistry to Noncovalent Interactions: Celebrating Prof. Giuseppe Resnati","New Journal of Chemistry","2026","","","","","10.1039/D5NJ03688G","","","0.71073","MoKα","","0.0409","0.03","","","0.068","0.0722","","","","","","1.056","","","","has coordinates","304186","2025-12-12","01:54:57",""
"7064211","13.734","0.006","9.677","0.004","19.852","0.008","90","","107.56","0.012","90","","2515.5","1.8","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1-bromo-3-methyl-5-phenyl-1-2-tellurazole-2-anol","","- C24 H29 Br2 N3 O Te -","- C24 H28 Br2 N3 O Te -","- C96 H112 Br8 N12 O4 Te4 -","4","1","","MacDougall, Phillip; Zeng, Mich Wenshi; Wang, Jin; Ho, Peter Cheng-Wei; Vargas-Baca, Ignacio","From Fluorine Chemistry to Noncovalent Interactions: Celebrating Prof. Giuseppe Resnati","New Journal of Chemistry","2026","","","","","10.1039/D5NJ03688G","","","0.71073","MoKα","","0.1469","0.0911","","","0.2357","0.2784","","","","","","1.129","","","","has coordinates","304186","2025-12-12","01:54:57",""
"7064212","14.9143","0.0006","26.7884","0.001","16.15","0.0005","90","","90","","90","","6452.4","0.4","100","","100","","","","","","","","","6","P n m a","-P 2ac 2n","62","","1,1,1-tri-bromo-3-methyl-5-phenyl-1,2-tellurazole-2-anol","","- C14 H22 Br4 N2 O Te -","- C14 H22 Br4 N2 O Te -","- C168 H264 Br48 N24 O12 Te12 -","12","1.5","","MacDougall, Phillip; Zeng, Mich Wenshi; Wang, Jin; Ho, Peter Cheng-Wei; Vargas-Baca, Ignacio","From Fluorine Chemistry to Noncovalent Interactions: Celebrating Prof. Giuseppe Resnati","New Journal of Chemistry","2026","","","","","10.1039/D5NJ03688G","","","0.71073","MoKα","","0.0846","0.048","","","0.0732","0.0801","","","","","","1.064","","","","has coordinates,has disorder","304186","2025-12-12","01:54:57",""
"7064213","7.9518","0.0005","16.465","0.0009","8.8983","0.0005","90","","96.536","0.001","90","","1157.45","0.12","100.15","","100.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C7 H5 Cl4 N O Se -","- C7 H5 Cl4 N O Se -","- C28 H20 Cl16 N4 O4 Se4 -","4","1","","MacDougall, Phillip; Zeng, Mich Wenshi; Wang, Jin; Ho, Peter Cheng-Wei; Vargas-Baca, Ignacio","From Fluorine Chemistry to Noncovalent Interactions: Celebrating Prof. Giuseppe Resnati","New Journal of Chemistry","2026","","","","","10.1039/D5NJ03688G","","","0.71073","MoKα","","0.029","0.0229","","","0.0525","0.055","","","","","","1.036","","","","has coordinates","304186","2025-12-12","01:54:57",""
"7064214","9.158","0.0008","11.0228","0.0009","14.2654","0.0012","90","","98.511","0.003","90","","1424.2","0.2","102","","102","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1,1,1 tri-bromo-3-methyl-5-phenyl-1,2-tellurazole-2-anol","","- C10 H10 Br3 N O Te -","- C10 H10 Br3 N O Te -","- C40 H40 Br12 N4 O4 Te4 -","4","1","","MacDougall, Phillip; Zeng, Mich Wenshi; Wang, Jin; Ho, Peter Cheng-Wei; Vargas-Baca, Ignacio","From Fluorine Chemistry to Noncovalent Interactions: Celebrating Prof. Giuseppe Resnati","New Journal of Chemistry","2026","","","","","10.1039/D5NJ03688G","","","0.71073","MoKα","","0.0373","0.0312","","","0.0765","0.0786","","","","","","1.107","","","","has coordinates","304186","2025-12-12","01:54:57",""
"7064215","7.383","0.002","8.447","0.003","12.114","0.004","107.25","0.02","91.93","0.02","108.787","0.01","676.1","0.4","100","0.1","100","","","","","","","","","6","P -1","-P 1","2","","","","- C9 H9 Cl3 N2 O Te -","- C9 H9 Cl3 N2 O Te -","- C18 H18 Cl6 N4 O2 Te2 -","2","1","","MacDougall, Phillip; Zeng, Mich Wenshi; Wang, Jin; Ho, Peter Cheng-Wei; Vargas-Baca, Ignacio","From Fluorine Chemistry to Noncovalent Interactions: Celebrating Prof. Giuseppe Resnati","New Journal of Chemistry","2026","","","","","10.1039/D5NJ03688G","","","0.71073","MoKα","","0.0448","0.0392","","","0.1","0.1037","","","","","","1.085","","","","has coordinates","304186","2025-12-12","01:54:57",""
"7064216","14.1714","0.001","9.0498","0.0006","19.5492","0.0014","90","","91.967","0.003","90","","2505.7","0.3","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","1,1,1-tri-bromo-3-methyl-5-phenyl-1,2-tellurazole-2-anol","","- C15 H23 Br4 Cl3 N2 O Te -","- C15 H23 Br4 Cl3 N2 O Te -","- C60 H92 Br16 Cl12 N8 O4 Te4 -","4","1","","MacDougall, Phillip; Zeng, Mich Wenshi; Wang, Jin; Ho, Peter Cheng-Wei; Vargas-Baca, Ignacio","From Fluorine Chemistry to Noncovalent Interactions: Celebrating Prof. Giuseppe Resnati","New Journal of Chemistry","2026","","","","","10.1039/D5NJ03688G","","","0.71073","MoKα","","0.0939","0.0515","","","0.1254","0.1554","","","","","","1.018","","","","has coordinates","304186","2025-12-12","01:54:57",""
"7064217","9.062","0.003","12.768","0.007","15.657","0.01","90","","98.57","0.03","90","","1791.3","1.6","119","","119","","","","","","","","","6","P 1 21 1","P 2yb","4","","1,1,1 tri-bromo-3-methyl-5-phenyl-1,2-tellurazole-2-anol","","- C12 H16 Br3.5 N1.5 O Te -","- C12 H16 Br3.5 N1.5 O Te -","- C48 H64 Br14 N6 O4 Te4 -","4","2","","MacDougall, Phillip; Zeng, Mich Wenshi; Wang, Jin; Ho, Peter Cheng-Wei; Vargas-Baca, Ignacio","From Fluorine Chemistry to Noncovalent Interactions: Celebrating Prof. Giuseppe Resnati","New Journal of Chemistry","2026","","","","","10.1039/D5NJ03688G","","","0.71073","MoKα","","0.0938","0.0569","","","0.1056","0.123","","","","","","0.855","","","","has coordinates","304186","2025-12-12","01:54:57",""
"7064218","24.6425","0.0016","13.1419","0.0009","13.636","0.0008","90","","104.617","0.002","90","","4273.1","0.5","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","1,1,1-tri-bromo-3-methyl-5-phenyl-1,2-tellurazole-2-anol + proton sponge","","- C34 H39 Br7 N4 O2 Te2 -","- C34 H39 Br7 N4 O2 Te2 -","- C136 H156 Br28 N16 O8 Te8 -","4","0.5","","MacDougall, Phillip; Zeng, Mich Wenshi; Wang, Jin; Ho, Peter Cheng-Wei; Vargas-Baca, Ignacio","From Fluorine Chemistry to Noncovalent Interactions: Celebrating Prof. Giuseppe Resnati","New Journal of Chemistry","2026","","","","","10.1039/D5NJ03688G","","","0.71073","MoKα","","0.0349","0.0247","","","0.0573","0.0613","","","","","","1.016","","","","has coordinates","304186","2025-12-12","01:54:57",""
"7064219","14.2144","0.0009","22.4896","0.0013","16.3097","0.0008","90","","114.888","0.002","90","","4729.6","0.5","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","1,1-di-iodo-3-methyl-5-phenyl-1,2-tellurazole-2-oxide","","- C40 H36 I4 N4 O4 Te4 -","- C40 H36 I4 N4 O4 Te4 -","- C160 H144 I16 N16 O16 Te16 -","4","1","","MacDougall, Phillip; Zeng, Mich Wenshi; Wang, Jin; Ho, Peter Cheng-Wei; Vargas-Baca, Ignacio","From Fluorine Chemistry to Noncovalent Interactions: Celebrating Prof. Giuseppe Resnati","New Journal of Chemistry","2026","","","","","10.1039/D5NJ03688G","","","0.71073","MoKα","","0.0476","0.0397","","","0.0899","0.0956","","","","","","1.179","","","","has coordinates","304186","2025-12-12","01:54:57",""
"7064220","7.11","0.005","8.813","0.006","12.868","0.009","83.048","0.013","75.01","0.04","86.742","0.013","772.9","0.9","296.15","","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C19 H17 N O4 -","- C19 H17 N O4 -","- C38 H34 N2 O8 -","2","1","","Liu, Lanxiang; Tao, Yunfeng; Song, Yulin; Zhou, Xiaojian; Du, Guanben; Zhou, Bei; Lin, Jun","Photocatalytic activation of indole alkanols for intramolecular cyclization toward furoindolines","New Journal of Chemistry","2026","50","10","4264","4270","10.1039/D5NJ04764A","","","0.71073","MoKα","","0.1166","0.0775","","","0.2028","0.2221","","","","","","1.117","","","","has coordinates","305415","2026-04-05","12:21:56",""
"7064221","12.5814","0.0004","11.6665","0.0003","10.1069","0.0003","90","","102.112","0.002","90","","1450.48","0.07","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 N2 O3 -","- C16 H18 N2 O3 -","- C64 H72 N8 O12 -","4","1","","Bhat, Muzzaffar A.; Jan, Tabasum; Ashraf, Refat; Ali, Muneeba; Mushtaq, Asmat; Bhat, Sajad A.; Butcher, Ray J.; Din Reshi, Noor U.","A hydrazone-based fluorescent chemosensor for Al3+: turn-on response induced by ESIPT suppression","New Journal of Chemistry","2026","50","6","2937","2947","10.1039/D5NJ04748J","","","0.71073","MoKα","","0.0603","0.0439","","","0.1096","0.1211","","","","","","1.034","","","","has coordinates","304349","2026-02-13","01:20:19",""
"7064222","10.8673","0.0006","11.3115","0.0006","13.3163","0.001","90","","90","","90","","1636.91","0.18","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H16 O4 -","- C21 H16 O4 -","- C84 H64 O16 -","4","1","","Zhang, Yichi; Wu, Qingling; Zhang, Qingxiao; Zhao, Yang; Wang, Qilin","Catalyst-controlled divergent synthesis of 2,8-dioxabicyclo[3.3.1]nonanes and benzo[c]chromen-6-ones","New Journal of Chemistry","2026","50","8","3580","3584","10.1039/D5NJ04524J","","x-ray","1.54184","CuKα","","0.0491","0.0416","","","0.1073","0.1158","","","","","","1.046","","","","has coordinates","304936","2026-03-05","13:01:47",""
"7064223","11.2354","0.0005","5.1466","0.0002","30.374","0.0012","90","","97.699","0.004","90","","1740.52","0.12","100.08","0.14","100.08","0.14","","","","","","","","4","I 1 2 1","I 2y","5","","","","- C21 H19 Cl O3 -","- C21 H19 Cl O3 -","- C84 H76 Cl4 O12 -","4","1","","Zhang, Yichi; Wu, Qingling; Zhang, Qingxiao; Zhao, Yang; Wang, Qilin","Catalyst-controlled divergent synthesis of 2,8-dioxabicyclo[3.3.1]nonanes and benzo[c]chromen-6-ones","New Journal of Chemistry","2026","50","8","3580","3584","10.1039/D5NJ04524J","","x-ray","1.54184","CuKα","","0.1275","0.1242","","","0.3376","0.3428","","","","","","1.658","","","","has coordinates,has disorder","304936","2026-03-05","13:01:47",""
"7064224","9.4615","0.0003","7.4413","0.0003","22.9597","0.0007","90","","97.165","0.003","90","","1603.87","0.1","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H14 O4 -","- C21 H14 O4 -","- C84 H56 O16 -","4","1","","Zhang, Yichi; Wu, Qingling; Zhang, Qingxiao; Zhao, Yang; Wang, Qilin","Catalyst-controlled divergent synthesis of 2,8-dioxabicyclo[3.3.1]nonanes and benzo[c]chromen-6-ones","New Journal of Chemistry","2026","50","8","3580","3584","10.1039/D5NJ04524J","","x-ray","1.54184","CuKα","","0.0609","0.0473","","","0.1253","0.1411","","","","","","1.025","","","","has coordinates","304936","2026-03-05","13:01:47",""
"7064225","9.2262","0.0002","15.3698","0.0004","15.0703","0.0004","90","","92.705","0.002","90","","2134.66","0.09","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C38 H46.13 Cl2 N11 O0.56 Pd S2 -","- C38 H46.128 Cl2 N11 O0.564 Pd S2 -","- C76 H92.256 Cl4 N22 O1.128 Pd2 S4 -","2","1","","Ortiz-Hernández, M.; Noguez-Maldonado, V. I.; Salazar-Pereda, V.; Gonzalez-Montiel, S.; Mendoza-Espinosa, D.; Suárez, A.; Cristobal, C.","PdII and PtII complexes bearing acetamide and thioacetamide functionalized heteroscorpionates and their application in the hydrosilylation of terminal alkynes","New Journal of Chemistry","2026","50","10","4415","4424","10.1039/D5NJ04709A","","x-ray","0.71073","MoKα","","0.0196","0.0181","","","0.0451","0.0462","","","","","","1.059","","","","has coordinates,has disorder","305414","2026-04-05","12:21:51",""
"7064226","10.7568","0.0003","10.9438","0.0002","16.5867","0.0004","94.7911","0.0018","90.678","0.002","111.144","0.002","1812.92","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H40 N10 Pd S2 -","- C36 H40 N10 Pd S2 -","- C72 H80 N20 Pd2 S4 -","2","1","","Ortiz-Hernández, M.; Noguez-Maldonado, V. I.; Salazar-Pereda, V.; Gonzalez-Montiel, S.; Mendoza-Espinosa, D.; Suárez, A.; Cristobal, C.","PdII and PtII complexes bearing acetamide and thioacetamide functionalized heteroscorpionates and their application in the hydrosilylation of terminal alkynes","New Journal of Chemistry","2026","50","10","4415","4424","10.1039/D5NJ04709A","","x-ray","0.71073","MoKα","","0.0425","0.0292","","","0.061","0.0666","","","","","","1.036","","","","has coordinates,has disorder","305414","2026-04-05","12:21:51",""
"7064227","10.8601","0.0002","10.8921","0.0002","16.3934","0.0002","94.868","0.001","90.782","0.001","110.887","0.002","1803.19","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H40 N10 Pt S2 -","- C36 H40 N10 Pt S2 -","- C72 H80 N20 Pt2 S4 -","2","1","","Ortiz-Hernández, M.; Noguez-Maldonado, V. I.; Salazar-Pereda, V.; Gonzalez-Montiel, S.; Mendoza-Espinosa, D.; Suárez, A.; Cristobal, C.","PdII and PtII complexes bearing acetamide and thioacetamide functionalized heteroscorpionates and their application in the hydrosilylation of terminal alkynes","New Journal of Chemistry","2026","50","10","4415","4424","10.1039/D5NJ04709A","","x-ray","0.71073","MoKα","","0.0184","0.0161","","","0.0395","0.041","","","","","","1.096","","","","has coordinates","305414","2026-04-05","12:21:51",""
"7064228","10.8601","0.0002","10.8921","0.0002","16.3934","0.0002","94.868","0.001","90.782","0.001","110.887","0.002","1803.19","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H40 N10 Pt S2 -","- C36 H40 N10 Pt S2 -","- C72 H80 N20 Pt2 S4 -","2","1","","Ortiz-Hernández, M.; Noguez-Maldonado, V. I.; Salazar-Pereda, V.; Gonzalez-Montiel, S.; Mendoza-Espinosa, D.; Suárez, A.; Cristobal, C.","PdII and PtII complexes bearing acetamide and thioacetamide functionalized heteroscorpionates and their application in the hydrosilylation of terminal alkynes","New Journal of Chemistry","2026","50","10","4415","4424","10.1039/D5NJ04709A","","x-ray","0.71073","MoKα","","0.0184","0.0161","","","0.0395","0.041","","","","","","1.096","","","","has coordinates","305414","2026-04-05","12:21:51",""
"7064229","8.1152","0.0016","10.943","0.002","10.445","0.002","90","","92.743","0.007","90","","926.5","0.3","293","","293","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H28 O4 -","- C22 H28 O4 -","- C44 H56 O8 -","2","1","","Niu, Hanlin; Liu, Andi; Hu, Zunfeng; Zhu, Xiangtao; Zhang, Bowen; Zhang, Shuai","Metavanadate-mediated hydroxyl activation enhances reaction efficiency in the carboxylative cyclization of propargyl alcohol with CO2","New Journal of Chemistry","2026","50","8","3754","3762","10.1039/D5NJ04972E","","x-ray","0.71073","MoKα","","0.0602","0.0465","","","0.107","0.1157","","","","","","1.058","","","","has coordinates","304937","2026-03-05","13:01:56",""
"7064230","11.0309","0.0003","7.8291","0.0002","23.1989","0.0006","90","","92.104","0.001","90","","2002.15","0.09","150","0.1","150","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H14 Cl F4 N11 O6 -","- C13 H14 Cl F4 N11 O6 -","- C52 H56 Cl4 F16 N44 O24 -","4","1","","Xie, Hugen; Shi, Haichuan; Liu, Chang; Zhong, Mei; Li, Haoran; Du, Niying; Lai, Junfu; Zou, Qianzai; Huang, Ming; Yang, Haijun","Energetic triazolotriazines with trifluoromethyl, dinitromethyl and nitroamino groups: synthesis, structure and properties","New Journal of Chemistry","2026","50","6","2817","2824","10.1039/D5NJ04400F","","","0.71073","MoKα","","0.051","0.0395","","","0.0914","0.099","","","","","","1.048","","","","has coordinates","304353","2026-02-13","01:23:12",""
"7064231","8.1445","0.0006","10.771","0.0007","15.6123","0.0012","86.096","0.002","79.109","0.003","86.365","0.002","1340","0.17","170","0.1","170","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C15 H15 F6 N21 O4 -","- C15 H15 F6 N21 O4 -","- C30 H30 F12 N42 O8 -","2","1","","Xie, Hugen; Shi, Haichuan; Liu, Chang; Zhong, Mei; Li, Haoran; Du, Niying; Lai, Junfu; Zou, Qianzai; Huang, Ming; Yang, Haijun","Energetic triazolotriazines with trifluoromethyl, dinitromethyl and nitroamino groups: synthesis, structure and properties","New Journal of Chemistry","2026","50","6","2817","2824","10.1039/D5NJ04400F","","","0.71073","MoKα","","0.1608","0.0788","","","0.153","0.1917","","","","","","1.067","","","","has coordinates,has disorder","304353","2026-02-13","01:23:13",""
"7064232","9.0942","0.0014","13.4468","0.0018","10.1321","0.0015","90","","92.162","0.006","90","","1238.2","0.3","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H8 F3 N9 O5 -","- C6 H8 F3 N9 O5 -","- C24 H32 F12 N36 O20 -","4","1","","Xie, Hugen; Shi, Haichuan; Liu, Chang; Zhong, Mei; Li, Haoran; Du, Niying; Lai, Junfu; Zou, Qianzai; Huang, Ming; Yang, Haijun","Energetic triazolotriazines with trifluoromethyl, dinitromethyl and nitroamino groups: synthesis, structure and properties","New Journal of Chemistry","2026","50","6","2817","2824","10.1039/D5NJ04400F","","","0.71073","MoKα","","0.1223","0.0768","","","0.1652","0.1919","","","","","","1.084","","","","has coordinates,has disorder","304353","2026-02-13","01:23:13",""
"7064233","6.6018","0.0004","16.2369","0.0009","16.8101","0.0009","93.138","0.002","100.567","0.002","93.351","0.002","1764.4","0.17","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C17 H19 Br Cl N O2.5 P -","- C17 H19 Br Cl N O2.5 P -","- C68 H76 Br4 Cl4 N4 O10 P4 -","4","2","","Sidlyaruk, Nikita; Smolobochkin, Andrey; Gazizov, Almir; Rizbayeva, Tanzilya; Gerasimova, Daria; Garifzyanov, Airat; Shirokov, Valeriy; Burilov, Alexander; Pudovik, Michail","Acceleration of the Arbuzov-type reaction via double activation of imine and H-phosphonate","New Journal of Chemistry","2026","50","8","3615","3627","10.1039/D5NJ04753F","","x-ray","0.71073","MoKα","","0.0448","0.0343","","","0.077","0.081","","","","","","1.05","","","","has coordinates","305418","2026-04-05","12:22:22",""
"7064234","6.337","0.004","16.965","0.01","9.393","0.005","90","","104.174","0.012","90","","979.1","1","150","","150","","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C18 H23 Cl N O4 P -","- C18 H23 Cl N O4 P -","- C36 H46 Cl2 N2 O8 P2 -","2","1","","Sidlyaruk, Nikita; Smolobochkin, Andrey; Gazizov, Almir; Rizbayeva, Tanzilya; Gerasimova, Daria; Garifzyanov, Airat; Shirokov, Valeriy; Burilov, Alexander; Pudovik, Michail","Acceleration of the Arbuzov-type reaction via double activation of imine and H-phosphonate","New Journal of Chemistry","2026","50","8","3615","3627","10.1039/D5NJ04753F","","x-ray","0.71073","MoKα","","0.1137","0.0944","","","0.2041","0.214","","","","","","1.133","","","","has coordinates","305418","2026-04-05","12:22:22",""
"7064235","15.38","0.002","15.38","0.002","10.4419","0.0017","90","","90","","120","","2139.1","0.5","100.15","","100.15","","","","","","","","","7","P -3","-P 3","147","","","","- C36 H42 Cl Co N9 Ni O9 -","- C36 H30 Cl Co N9 Ni O3 -","- C72 H60 Cl2 Co2 N18 Ni2 O6 -","2","0.333333","","Pandey, Sharmila; Mukhopadhyay, Narottam; Lloret, Francesc; Mukherjee, Rabindranath","Hetero-bimetallic complexes of pyridine-/pyrazine-2-carboxamide ligands: synthesis, structure, redox properties and magnetism","New Journal of Chemistry","2026","50","6","2721","2731","10.1039/D5NJ03831F","","","0.71073","MoKα","","0.0576","0.0435","","","0.1131","0.1228","","","","","","1.034","","","","has coordinates","304355","2026-02-13","01:24:16",""
"7064236","18.385","0.005","16.393","0.005","22.388","0.005","90","","90","","90","","6747","3","100","2","100.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C33 H29 Cl N12 Ni O4 Zn -","- C33 H29 Cl N12 Ni O4 Zn -","- C264 H232 Cl8 N96 Ni8 O32 Zn8 -","8","1","","Pandey, Sharmila; Mukhopadhyay, Narottam; Lloret, Francesc; Mukherjee, Rabindranath","Hetero-bimetallic complexes of pyridine-/pyrazine-2-carboxamide ligands: synthesis, structure, redox properties and magnetism","New Journal of Chemistry","2026","50","6","2721","2731","10.1039/D5NJ03831F","","","0.71069","MoKα","","0.0564","0.0397","","","0.0923","0.1023","","","","","","1.041","","","","has coordinates","304355","2026-02-13","01:24:17",""
"7064237","18.578","0.005","16.484","0.005","22.217","0.005","90","","90","","90","","6804","3","100","2","100.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C33 H29 Cl Co N12 O4 Zn -","- C33 H29 Cl Co N12 O4 Zn -","- C264 H232 Cl8 Co8 N96 O32 Zn8 -","8","1","","Pandey, Sharmila; Mukhopadhyay, Narottam; Lloret, Francesc; Mukherjee, Rabindranath","Hetero-bimetallic complexes of pyridine-/pyrazine-2-carboxamide ligands: synthesis, structure, redox properties and magnetism","New Journal of Chemistry","2026","50","6","2721","2731","10.1039/D5NJ03831F","","","0.71069","MoKα","","0.081","0.0482","","","0.1064","0.1213","","","","","","1.019","","","","has coordinates,has disorder","304355","2026-02-13","01:24:17",""
"7064238","12.484","0.004","13.73","0.004","14.952","0.004","85.618","0.005","68.888","0.005","86.867","0.005","2382.8","1.2","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C39 H42 Cl Co F6 N13 O5 P Zn -","- C33 H27 Cl Co F6 N12 O3 P Zn -","- C66 H54 Cl2 Co2 F12 N24 O6 P2 Zn2 -","2","1","","Pandey, Sharmila; Mukhopadhyay, Narottam; Lloret, Francesc; Mukherjee, Rabindranath","Hetero-bimetallic complexes of pyridine-/pyrazine-2-carboxamide ligands: synthesis, structure, redox properties and magnetism","New Journal of Chemistry","2026","50","6","2721","2731","10.1039/D5NJ03831F","","x-ray","0.71073","MoKα","","0.0847","0.0624","","","0.1618","0.1803","","","","","","0.997","","","","has coordinates","304355","2026-02-13","01:24:17",""
"7064239","18.257","0.005","16.417","0.005","22.303","0.005","90","","90","","90","","6685","3","100","2","100.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C33 H29 Cl Co N12 Ni O4 -","- C33 H29 Cl Co N12 Ni O4 -","- C264 H232 Cl8 Co8 N96 Ni8 O32 -","8","1","","Pandey, Sharmila; Mukhopadhyay, Narottam; Lloret, Francesc; Mukherjee, Rabindranath","Hetero-bimetallic complexes of pyridine-/pyrazine-2-carboxamide ligands: synthesis, structure, redox properties and magnetism","New Journal of Chemistry","2026","50","6","2721","2731","10.1039/D5NJ03831F","","","0.71069","MoKα","","0.0741","0.0475","","","0.1049","0.1208","","","","","","1.037","","","","has coordinates","304355","2026-02-13","01:24:17",""
"7064240","21.286","0.01","8.765","0.004","16.108","0.007","90","","105.98","0.02","90","","2889","2","295","2","295","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H33 B Br2 N2 O2 -","- C30 H33 B Br2 N2 O2 -","- C120 H132 B4 Br8 N8 O8 -","4","0.5","","Al-Ameed, Karrar; El-Ali, H. A. Abdulhadi; Ezzat, Nadia; Obies, Mohammed","Illuminating weak bonds: non-classical C–H⋯Br hydrogen bonding and bright emission in a BODIPY fluorophore","New Journal of Chemistry","2026","50","6","2594","2606","10.1039/D5NJ04295J","","","0.71073","MoKα","","0.118","0.0548","","","0.1387","0.17","","","","","","1.016","","","","has coordinates","304356","2026-02-13","01:24:41",""
"7064241","5.8713","0.0005","9.6203","0.0009","13.4415","0.0012","90.831","0.003","95.528","0.003","95.559","0.003","751.92","0.12","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H16 Br N -","- C18 H16 Br N -","- C36 H32 Br2 N2 -","2","1","","Li, Yuntao; Wang, Xu; Li, Anqi; Zhao, Jixing; Li, Shi-Wu; Yang, Shengwen; Zhao, Zhifei","Copper-catalyzed propargylic substitution for the highly selective construction of multi-substituted 1,4-enynes","New Journal of Chemistry","2026","50","10","4543","4549","10.1039/D6NJ00029K","","","1.54178","CuKα","","0.0323","0.0316","","","0.0846","0.0852","","","","","","1.117","","","","has coordinates","305412","2026-04-05","12:20:56",""
"7064242","13.6826","0.0005","9.7733","0.0003","15.5906","0.0006","90","","109.453","0.004","90","","1965.83","0.13","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 Cl N4 O7 -","- C18 H21 Cl N4 O7 -","- C72 H84 Cl4 N16 O28 -","4","1","","Nowicka, Daria; Garbaczewski, Karol; Consiglio, Giuseppe; Forte, Giuseppe; Kubicki, Maciej; Łuczak, Teresa; Patroniak, Violetta; Gorczyński, Adam","Biomimetic O-demethylation at a copper(ii) center with imine ligand: a structural and computational study","New Journal of Chemistry","2026","50","9","3843","3856","10.1039/D5NJ04478B","","x-ray","0.71073","MoKα","","0.0558","0.0454","","","0.1157","0.1243","","","","","","1.051","","","","has coordinates","304944","2026-03-05","13:04:32",""
"7064243","12.0808","0.0002","8.7564","0.0002","18.0332","0.0005","90","","91.44","0.002","90","","1907.03","0.08","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 Cl N4 O7 -","- C18 H19 Cl N4 O7 -","- C72 H76 Cl4 N16 O28 -","4","1","","Nowicka, Daria; Garbaczewski, Karol; Consiglio, Giuseppe; Forte, Giuseppe; Kubicki, Maciej; Łuczak, Teresa; Patroniak, Violetta; Gorczyński, Adam","Biomimetic O-demethylation at a copper(ii) center with imine ligand: a structural and computational study","New Journal of Chemistry","2026","50","9","3843","3856","10.1039/D5NJ04478B","","x-ray","0.71073","MoKα","","0.0427","0.0369","","","0.0931","0.0982","","","","","","1.036","","","","has coordinates","304944","2026-03-05","13:04:38",""
"7064244","14.4376","0.0006","8.0593","0.0003","16.8258","0.0007","90","","98.442","0.004","90","","1936.59","0.14","100","1","100","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 Cl2 Cu N4 O2 -","- C18 H20 Cl2 Cu N4 O2 -","- C72 H80 Cl8 Cu4 N16 O8 -","4","1","","Nowicka, Daria; Garbaczewski, Karol; Consiglio, Giuseppe; Forte, Giuseppe; Kubicki, Maciej; Łuczak, Teresa; Patroniak, Violetta; Gorczyński, Adam","Biomimetic O-demethylation at a copper(ii) center with imine ligand: a structural and computational study","New Journal of Chemistry","2026","50","9","3843","3856","10.1039/D5NJ04478B","","x-ray","0.71073","MoKα","","0.0539","0.043","","","0.1121","0.121","","","","","","1.038","","","","has coordinates","304944","2026-03-05","13:04:39",""
"7064245","8.2961","0.0007","13.6909","0.0005","14.6952","0.0011","89.989","0.005","88.45","0.007","82.033","0.006","1652.4","0.2","130","1","130","1","","","","","","","","6","P -1","-P 1","2","","","","- C16 H16 Cl2 Cu N4 O -","- C16 H16 Cl2 Cu N4 O -","- C64 H64 Cl8 Cu4 N16 O4 -","4","2","","Nowicka, Daria; Garbaczewski, Karol; Consiglio, Giuseppe; Forte, Giuseppe; Kubicki, Maciej; Łuczak, Teresa; Patroniak, Violetta; Gorczyński, Adam","Biomimetic O-demethylation at a copper(ii) center with imine ligand: a structural and computational study","New Journal of Chemistry","2026","50","9","3843","3856","10.1039/D5NJ04478B","","x-ray","1.54184","CuKα","","0.1373","0.1322","","","0.3014","0.3031","","","","","","1.002","","","","has coordinates","304944","2026-03-05","13:04:39",""
"7064246","18.8457","0.0003","6.69128","0.00006","13.29018","0.00011","90","","90","","90","","1675.92","0.03","125","1","125","1","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C17 H17 Cl Cu N4 O3 -","- C17 H17 Cl Cu N4 O3 -","- C68 H68 Cl4 Cu4 N16 O12 -","4","1","","Nowicka, Daria; Garbaczewski, Karol; Consiglio, Giuseppe; Forte, Giuseppe; Kubicki, Maciej; Łuczak, Teresa; Patroniak, Violetta; Gorczyński, Adam","Biomimetic O-demethylation at a copper(ii) center with imine ligand: a structural and computational study","New Journal of Chemistry","2026","50","9","3843","3856","10.1039/D5NJ04478B","","x-ray","1.54184","CuKα","","0.0258","0.0258","","","0.0744","0.0744","","","","","","1.078","","","","has coordinates","304944","2026-03-05","13:04:40",""
"7064247","12.26303","0.0001","18.89895","0.00016","17.09492","0.00014","90","","97.1415","0.0007","90","","3931.16","0.06","130","1","130","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H44 Cl2 Cu N8 O9 -","- C37 H44 Cl2 Cu N8 O9 -","- C148 H176 Cl8 Cu4 N32 O36 -","4","1","","Nowicka, Daria; Garbaczewski, Karol; Consiglio, Giuseppe; Forte, Giuseppe; Kubicki, Maciej; Łuczak, Teresa; Patroniak, Violetta; Gorczyński, Adam","Biomimetic O-demethylation at a copper(ii) center with imine ligand: a structural and computational study","New Journal of Chemistry","2026","50","9","3843","3856","10.1039/D5NJ04478B","","x-ray","1.54184","CuKα","","0.0534","0.0469","","","0.1199","0.1243","","","","","","1.027","","","","has coordinates","304944","2026-03-05","13:04:40",""
"7064248","16.90445","0.00013","12.18931","0.00008","22.04368","0.00013","90","","101.912","0.0007","90","","4444.36","0.05","130","1","130","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H46 Cl2 Cu2 N8 O14 -","- C37 H46 Cl2 Cu2 N8 O14 -","- C148 H184 Cl8 Cu8 N32 O56 -","4","1","","Nowicka, Daria; Garbaczewski, Karol; Consiglio, Giuseppe; Forte, Giuseppe; Kubicki, Maciej; Łuczak, Teresa; Patroniak, Violetta; Gorczyński, Adam","Biomimetic O-demethylation at a copper(ii) center with imine ligand: a structural and computational study","New Journal of Chemistry","2026","50","9","3843","3856","10.1039/D5NJ04478B","","x-ray","1.54184","CuKα","","0.0475","0.044","","","0.1261","0.1308","","","","","","1.022","","","","has coordinates,has disorder","304944","2026-03-05","13:04:40",""
"7064249","16.794","0.003","11.032","0.002","7.8875","0.0017","90","","101.768","0.007","90","","1430.6","0.5","293","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H9 Cl N2 O S -","- C16 H9 Cl N2 O S -","- C64 H36 Cl4 N8 O4 S4 -","4","1","","Liu, Xiaowei; Shao, Chukai; Yin, Hongquan; Liu, Kaixiang; Chen, Fu-Xue","Tandem electrophilic thiocyanation/cyclization of α-alkynyl oximes for synthesis of 4-thiocyanatoisoxazoles","New Journal of Chemistry","2026","50","6","2589","2593","10.1039/D5NJ03863D","","x-ray","0.71073","MoKα","","0.06","0.0428","","","0.133","0.1494","","","","","","1.052","","","","has coordinates","304359","2026-02-13","01:26:05",""
"7064250","30.31","0.008","8.438","0.002","23.246","0.006","90","","116.897","0.005","90","","5302","2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","[2,2'-[(1E,2E)-hydrazinediylidenedi-(E)-methanylylidene]bis(5-methoxyphenolato)]{Bis[(2-hydroxy-3-methoxyphenyl)methylene] succino hydrazide}Manganese(II)bis[dimethylformamide). di[dimethylformamide]","","- C48 H60 Mn2 N10 O14 -","- C48 H60 Mn2 N10 O14 -","- C192 H240 Mn8 N40 O56 -","4","0.5","","Lauqman, Muhammad; Javaid, Nida; Ilyas, Mubashar; Tahir, Muhammad Nawaz; Ashfaq, Muhammad; Ali, Junaid; Saqlain, Madiha; Li, Hui","A hydrazone Schiff base as a Fe(iii) sensor and precursor to a violet-emissive Mn(ii) complex: synthesis, crystal structure, luminescence, supramolecular and DFT studies","New Journal of Chemistry","2026","50","8","3738","3747","10.1039/D5NJ04171F","","","0.71073","MoKα","","0.1727","0.0819","","","0.174","0.2211","","","","","","1.062","","","","has coordinates,has disorder","305417","2026-04-05","12:22:19",""
"7064251","5.6948","0.0006","5.6948","0.0006","5.6948","0.0006","90","","90","","90","","184.69","0.03","","","","","","","","","","","","4","F -4 3 m","F -4 2 3","216","Copper tin yttrium selenide (0.667/0.328/0.005/1)","","","- Cu0.667 Se Sn0.328 Y0.005 -","- Cu0.667 Se Sn0.328 Y0.005 -","- Cu2.668 Se4 Sn1.312 Y0.02 -","4","0.0416667","","Palani, Narasimman; Gopalsamy, Karuppasamy; Bhuvanesh, Nattamai; Ajaykamal, Tamilarasan; Maurin, Guillaume; Sundaravel, Karuppasamy","Manganese(ii) complexes of tridentate 3N ligands as functional models of phenoxazinone synthase: impact of ligand steric hindrance on reactivity","New Journal of Chemistry","2026","50","14","5768","5789","10.1039/D5NJ03127C","","","","","","","","","","","","","","","","","","","","","has coordinates","305839","2026-05-05","09:29:34",""
"7064252","6.2324","0.0004","18.1633","0.0011","14.3366","0.0009","90","","102.317","0.002","90","","1585.56","0.17","110","","110","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C18 H23 N3 -","- C18 H23 N3 -","- C72 H92 N12 -","4","1","","Palani, Narasimman; Gopalsamy, Karuppasamy; Bhuvanesh, Nattamai; Ajaykamal, Tamilarasan; Maurin, Guillaume; Sundaravel, Karuppasamy","Manganese(ii) complexes of tridentate 3N ligands as functional models of phenoxazinone synthase: impact of ligand steric hindrance on reactivity","New Journal of Chemistry","2026","50","14","5768","5789","10.1039/D5NJ03127C","","","1.54178","CuKα","","0.0286","0.0271","","","0.0624","0.0635","","","","","","1.092","","","","has coordinates","305839","2026-05-05","09:29:34",""
"7064253","7.6216","0.0004","8.6279","0.0005","14.0599","0.0007","97.04","0.002","101.032","0.002","114.334","0.002","805.61","0.08","110","","110","","","","","","","","","5","P -1","-P 1","2","","","","- C15 H17 Cl2 Mn N3 -","- C15 H17 Cl2 Mn N3 -","- C30 H34 Cl4 Mn2 N6 -","2","1","","Palani, Narasimman; Gopalsamy, Karuppasamy; Bhuvanesh, Nattamai; Ajaykamal, Tamilarasan; Maurin, Guillaume; Sundaravel, Karuppasamy","Manganese(ii) complexes of tridentate 3N ligands as functional models of phenoxazinone synthase: impact of ligand steric hindrance on reactivity","New Journal of Chemistry","2026","50","14","5768","5789","10.1039/D5NJ03127C","","","0.71073","MoKα","","0.0256","0.0228","","","0.058","0.0589","","","","","","1.072","","","","has coordinates","305839","2026-05-05","09:29:34",""
"7064254","9.7129","0.0004","13.6339","0.0006","21.313","0.0008","97.307","0.003","93.53","0.003","104.433","0.004","2698.3","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H19 N O -","- C23 H19 N O -","- C138 H114 N6 O6 -","6","3","","Singh, Gurjaspreet; Jyoti,; Singh, Amanpreet; Sharma, Devina; Gill, Baljinder Singh; Singh, Jandeep; George, Nancy; Baliyan, Deepanjali; Kaur, Amarjit","Fluorescence quenching of V(iii) ions by a 4-benzylaniline-derived Schiff base-functionalized organosilane: unveiling antiproliferative potential through in vitro analysis and molecular docking","New Journal of Chemistry","2026","50","10","4596","4607","10.1039/D5NJ04884B","","x-ray","0.71073","MoKα","","0.2036","0.0593","","","0.1262","0.1812","","","","","","0.944","","","","has coordinates","305413","2026-04-05","12:21:04",""
"7064255","16.88798","0.00012","11.87134","0.00007","20.5286","0.00014","90","","90","","90","","4115.63","0.05","100","0.1","100","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H22 Fe N4 O2 -","- C24 H22 Fe N4 O2 -","- C192 H176 Fe8 N32 O16 -","8","1","","Proshutinskaya, Varvara Yu.; Krylova, Irina V.; Shangin, Pavel G.; Vilman, Victoriya A.; Minyaev, Mikhail E.; Gorbunov, Dmitry E.; Gritsan, Nina P.; Nikolaevskaya, Elena N.; Egorov, Mikhail P.; Tretyakov, Evgeny V.; Syroeshkin, Mikhail A.","Ferrocene-containing Schiff bases and their Sn(iv) complexes with two non-conjugated redox-active fragments: dependence of spectroscopic and redox properties on complexation and solvent","New Journal of Chemistry","2026","50","9","3906","3925","10.1039/D5NJ04462F","","x-ray","1.54184","CuKα","","0.0332","0.0307","","","0.0877","0.0896","","","","","","1.093","","","","has coordinates","304945","2026-03-05","13:04:56",""
"7064256","7.63447","0.00012","10.59566","0.00018","17.044","0.0003","97.9351","0.0014","90.0735","0.0013","104.065","0.0014","1323.72","0.04","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C52 H72 Fe2 N8 O8 Sn2 -","- C52 H72 Fe2 N8 O8 Sn2 -","- C52 H72 Fe2 N8 O8 Sn2 -","1","0.5","","Proshutinskaya, Varvara Yu.; Krylova, Irina V.; Shangin, Pavel G.; Vilman, Victoriya A.; Minyaev, Mikhail E.; Gorbunov, Dmitry E.; Gritsan, Nina P.; Nikolaevskaya, Elena N.; Egorov, Mikhail P.; Tretyakov, Evgeny V.; Syroeshkin, Mikhail A.","Ferrocene-containing Schiff bases and their Sn(iv) complexes with two non-conjugated redox-active fragments: dependence of spectroscopic and redox properties on complexation and solvent","New Journal of Chemistry","2026","50","9","3906","3925","10.1039/D5NJ04462F","","x-ray","1.54184","CuKα","","0.0475","0.047","","","0.1328","0.1331","","","","","","1.067","","","","has coordinates,has disorder","304945","2026-03-05","13:04:57",""
"7064257","8.1568","0.0005","11.8101","0.0008","12.095","0.0008","90","","106.848","0.002","90","","1115.13","0.13","302","","302","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H10 Cl N O2 S -","- C11 H10 Cl N O2 S -","- C44 H40 Cl4 N4 O8 S4 -","4","1","","Zou, ShengLi; Zhou, Yihang; Chen, Xuerui; Liu, Xiaobing; Zhou, Yao","Rongalite as the C1 synthon to assemble 2,3-dihydrobenzothiazin-4-ones and benzo[d][1,3]oxathiin-4-ones","New Journal of Chemistry","2026","50","9","3926","3932","10.1039/D5NJ04477D","","","0.71076","MoKα","","0.0647","0.0478","","","0.1141","0.1303","","","","","","1.122","","","","has coordinates","304942","2026-03-05","13:03:53",""
"7064258","9.91","0.0013","22.22","0.003","7.4284","0.0008","90","","90","","90","","1635.7","0.4","303","","303","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","1","","- C8 H5 Br O2 S -","- C8 H5 Br O2 S -","- C64 H40 Br8 O16 S8 -","8","1","","Zou, ShengLi; Zhou, Yihang; Chen, Xuerui; Liu, Xiaobing; Zhou, Yao","Rongalite as the C1 synthon to assemble 2,3-dihydrobenzothiazin-4-ones and benzo[d][1,3]oxathiin-4-ones","New Journal of Chemistry","2026","50","9","3926","3932","10.1039/D5NJ04477D","","","0.71076","MoKα","","0.0752","0.0566","","","0.1238","0.1311","","","","","","1.172","","","","has coordinates","304942","2026-03-05","13:03:53",""
"7064259","10.5574","0.0003","11.1304","0.0003","22.6838","0.0008","90","","92.752","0.002","90","","2662.46","0.14","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C23 H17 Cl3 Cu N6 O2 S2 -","- C23 H17 Cl3 Cu N6 O2 S2 -","- C92 H68 Cl12 Cu4 N24 O8 S8 -","4","1","","Gautam, Ram Nayan; Shukla, Alok; Jaiswal, Ankesh Kumar; Singh, Anupam; Vishwakarma, Ajay; Kumar, Rajesh; Prasad, L. B.; Butcher, R. J.; Bharty, M. K.","Metallo-hydrazones of pyridine–thiophene derivatives: structure–function insight and anticancer evaluation of Co(iii), Ni(ii), Cu(ii), and Zn(ii) complexes","New Journal of Chemistry","2026","50","7","3394","3406","10.1039/D5NJ02095F","","","0.71073","MoKα","","0.0749","0.051","","","0.1255","0.1393","","","","","","1.1","","","","has coordinates","304445","2026-02-17","01:50:47",""
"7064260","11.2076","0.0002","8.6768","0.0002","22.6836","0.0005","90","","91.999","0.002","90","","2204.55","0.08","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 N6 O2 S2 Zn -","- C22 H16 N6 O2 S2 Zn -","- C88 H64 N24 O8 S8 Zn4 -","4","1","","Gautam, Ram Nayan; Shukla, Alok; Jaiswal, Ankesh Kumar; Singh, Anupam; Vishwakarma, Ajay; Kumar, Rajesh; Prasad, L. B.; Butcher, R. J.; Bharty, M. K.","Metallo-hydrazones of pyridine–thiophene derivatives: structure–function insight and anticancer evaluation of Co(iii), Ni(ii), Cu(ii), and Zn(ii) complexes","New Journal of Chemistry","2026","50","7","3394","3406","10.1039/D5NJ02095F","","","1.54184","CuKα","","0.0889","0.0696","","","0.2074","0.2262","","","","","","1.065","","","","has coordinates","304445","2026-02-17","01:50:48",""
"7064261","18.6836","0.0005","9.6572","0.0004","6.0454","0.0002","90","","90","","90","","1090.78","0.06","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C11 H9 N3 O S -","- C11 H9 N3 O S -","- C44 H36 N12 O4 S4 -","4","1","","Gautam, Ram Nayan; Shukla, Alok; Jaiswal, Ankesh Kumar; Singh, Anupam; Vishwakarma, Ajay; Kumar, Rajesh; Prasad, L. B.; Butcher, R. J.; Bharty, M. K.","Metallo-hydrazones of pyridine–thiophene derivatives: structure–function insight and anticancer evaluation of Co(iii), Ni(ii), Cu(ii), and Zn(ii) complexes","New Journal of Chemistry","2026","50","7","3394","3406","10.1039/D5NJ02095F","","","1.54184","CuKα","","0.0489","0.0449","","","0.1241","0.1287","","","","","","1.058","","","","has coordinates","304445","2026-02-17","01:50:48",""
"7064262","8.7079","0.0002","18.6932","0.0004","31.4238","0.0005","90","","97.552","0.002","90","","5070.75","0.18","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C44 H36 Cl4 Co3 N12 O6 S4 -","- C44 H36 Cl4 Co3 N12 O6 S4 -","- C176 H144 Cl16 Co12 N48 O24 S16 -","4","0.5","","Gautam, Ram Nayan; Shukla, Alok; Jaiswal, Ankesh Kumar; Singh, Anupam; Vishwakarma, Ajay; Kumar, Rajesh; Prasad, L. B.; Butcher, R. J.; Bharty, M. K.","Metallo-hydrazones of pyridine–thiophene derivatives: structure–function insight and anticancer evaluation of Co(iii), Ni(ii), Cu(ii), and Zn(ii) complexes","New Journal of Chemistry","2026","50","7","3394","3406","10.1039/D5NJ02095F","","","1.54184","CuKα","","0.1072","0.1041","","","0.3039","0.3138","","","","","","1.521","","","","has coordinates,has disorder","304445","2026-02-17","01:50:48",""
"7064263","11.155","0.0002","8.76","0.0002","22.492","0.0005","90","","93.234","0.002","90","","2194.37","0.08","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 N6 Ni O2 S2 -","- C22 H16 N6 Ni O2 S2 -","- C88 H64 N24 Ni4 O8 S8 -","4","1","","Gautam, Ram Nayan; Shukla, Alok; Jaiswal, Ankesh Kumar; Singh, Anupam; Vishwakarma, Ajay; Kumar, Rajesh; Prasad, L. B.; Butcher, R. J.; Bharty, M. K.","Metallo-hydrazones of pyridine–thiophene derivatives: structure–function insight and anticancer evaluation of Co(iii), Ni(ii), Cu(ii), and Zn(ii) complexes","New Journal of Chemistry","2026","50","7","3394","3406","10.1039/D5NJ02095F","","","1.54178","CuKα","","0.0857","0.0609","","","0.1563","0.1762","","","","","","1.03","","","","has coordinates,has disorder","304445","2026-02-17","01:50:49",""
"7064264","10.2561","0.0005","7.5393","0.0003","21.0409","0.0008","90","","98.471","0.004","90","","1609.21","0.12","293","2","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","HL","Crystal 7","","- C21 H16 N2 O2 -","- C21 H16 N2 O2 -","- C84 H64 N8 O8 -","4","1","","Haloi, Pankaj; Mandal, Ram Kumar; Das, Sanchita; Dinda, Rupam; Barman, Pranjit","A multifunctional stimuli-responsive AIE-active Schiff base for solvatochromism, mechanochromism, acidochromism, Cu2+ sensing and DNA binding","New Journal of Chemistry","2026","50","7","3169","3184","10.1039/D5NJ04403K","","x-ray","0.71073","MoKα","","0.0599","0.0407","","","0.109","0.1167","","","","","","1.1","","","","has coordinates","304446","2026-02-17","01:51:07",""
"7064265","11.0335","0.0004","21.1887","0.0008","33.5173","0.0013","90","","90","","90","","7835.9","0.5","297","2","297","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C46 H36 N6 Ni O2 S2 -","- C46 H36 N6 Ni O2 S2 -","- C368 H288 N48 Ni8 O16 S16 -","8","1","","Verma, Satyendra; Nath, Jitendra; Baruah, Jubaraj B.","See-saw Ni(ii) thiosemicarbazones: energy and photophysical properties","New Journal of Chemistry","2026","50","11","4884","4895","10.1039/D5NJ04119H","","","0.71073","MoKα","","0.1175","0.0611","","","0.1314","0.1519","","","","","","1.036","","","","has coordinates","305421","2026-04-05","12:23:19",""
"7064266","7.6501","0.0014","27.11","0.005","21.294","0.004","90","","90.173","0.006","90","","4416.2","1.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H29 Cl7 N6 Ni S2 -","- C45 H29 Cl7 N6 Ni S2 -","- C180 H116 Cl28 N24 Ni4 S8 -","4","1","","Verma, Satyendra; Nath, Jitendra; Baruah, Jubaraj B.","See-saw Ni(ii) thiosemicarbazones: energy and photophysical properties","New Journal of Chemistry","2026","50","11","4884","4895","10.1039/D5NJ04119H","","","0.71073","MoKα","","0.1634","0.0785","","","0.1685","0.2015","","","","","","1.032","","","","has coordinates","305421","2026-04-05","12:23:19",""
"7064267","13.4028","0.0016","25.516","0.003","11.7627","0.0014","90","","91.75","0.004","90","","4020.8","0.8","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H28 Cl4 N6 Ni S2 -","- C44 H28 Cl4 N6 Ni S2 -","- C176 H112 Cl16 N24 Ni4 S8 -","4","1","","Verma, Satyendra; Nath, Jitendra; Baruah, Jubaraj B.","See-saw Ni(ii) thiosemicarbazones: energy and photophysical properties","New Journal of Chemistry","2026","50","11","4884","4895","10.1039/D5NJ04119H","","","0.71073","MoKα","","0.0798","0.044","","","0.0862","0.0948","","","","","","1.059","","","","has coordinates","305421","2026-04-05","12:23:19",""
"7064268","13.0531","0.0002","7.0994","0.0001","14.8649","0.0002","90","","93.01","0.001","90","","1375.62","0.03","298","2","298","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 N4 O7 -","- C12 H10 N4 O7 -","- C48 H40 N16 O28 -","4","1","","Sarkar, Sresha; Sultana, Shabnam; Jover, Jesús; Chowdhury, Nilkanta; Bagchi, Angshuman; Das, Chandan; Goswami, Swapnadeep; Chattopadhyay, Dipankar; Roy, Raj Kumar; Saha, Supriyo; Zangrando, Ennio; Sanyal, Ria","Supramolecular networks of picrate derivatives with tunable hydrogen-bonding densities for selective bacterial killing","New Journal of Chemistry","2026","50","7","2994","3018","10.1039/D5NJ04072H","","","1.54178","CuKα","","0.0429","0.0419","","","0.1114","0.1123","","","","","","1.046","","","","has coordinates","304448","2026-02-17","01:52:17",""
"7064269","17.316","0.0011","4.002","0.0004","21.9731","0.0013","90","","96.198","0.006","90","","1513.8","0.2","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H12 N4 O8 -","- C13 H12 N4 O8 -","- C52 H48 N16 O32 -","4","1","","Sarkar, Sresha; Sultana, Shabnam; Jover, Jesús; Chowdhury, Nilkanta; Bagchi, Angshuman; Das, Chandan; Goswami, Swapnadeep; Chattopadhyay, Dipankar; Roy, Raj Kumar; Saha, Supriyo; Zangrando, Ennio; Sanyal, Ria","Supramolecular networks of picrate derivatives with tunable hydrogen-bonding densities for selective bacterial killing","New Journal of Chemistry","2026","50","7","2994","3018","10.1039/D5NJ04072H","","","0.71073","MoKα","","0.1016","0.0786","","","0.2014","0.2387","","","","","","1.011","","","","has coordinates","304448","2026-02-17","01:52:18",""
"7064270","10.4079","0.0001","9.2402","0.0001","23.1207","0.0003","90","","90","","90","","2223.54","0.04","118","2","118","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C18 H12 N8 O16 -","- C18 H12 N8 O16 -","- C72 H48 N32 O64 -","4","1","","Sarkar, Sresha; Sultana, Shabnam; Jover, Jesús; Chowdhury, Nilkanta; Bagchi, Angshuman; Das, Chandan; Goswami, Swapnadeep; Chattopadhyay, Dipankar; Roy, Raj Kumar; Saha, Supriyo; Zangrando, Ennio; Sanyal, Ria","Supramolecular networks of picrate derivatives with tunable hydrogen-bonding densities for selective bacterial killing","New Journal of Chemistry","2026","50","7","2994","3018","10.1039/D5NJ04072H","","","1.54184","CuKα","","0.0267","0.0267","","","0.0719","0.0719","","","","","","1.074","","","","has coordinates,has disorder","304448","2026-02-17","01:52:18",""
"7064271","4.242","0.0002","14.9824","0.0006","24.6205","0.0011","90","","91.692","0.004","90","","1564.08","0.12","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 Cl N5 O8 -","- C13 H10 Cl N5 O8 -","- C52 H40 Cl4 N20 O32 -","4","1","","Sarkar, Sresha; Sultana, Shabnam; Jover, Jesús; Chowdhury, Nilkanta; Bagchi, Angshuman; Das, Chandan; Goswami, Swapnadeep; Chattopadhyay, Dipankar; Roy, Raj Kumar; Saha, Supriyo; Zangrando, Ennio; Sanyal, Ria","Supramolecular networks of picrate derivatives with tunable hydrogen-bonding densities for selective bacterial killing","New Journal of Chemistry","2026","50","7","2994","3018","10.1039/D5NJ04072H","","","0.71073","MoKα","","0.1142","0.0668","","","0.1587","0.2161","","","","","","1.162","","","","has coordinates","304448","2026-02-17","01:52:18",""
"7064272","8.0915","0.0004","8.4379","0.0004","10.3328","0.0005","79.285","0.004","82.174","0.004","88.062","0.004","686.69","0.06","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H10 N4 O8 -","- C12 H10 N4 O8 -","- C24 H20 N8 O16 -","2","1","","Sarkar, Sresha; Sultana, Shabnam; Jover, Jesús; Chowdhury, Nilkanta; Bagchi, Angshuman; Das, Chandan; Goswami, Swapnadeep; Chattopadhyay, Dipankar; Roy, Raj Kumar; Saha, Supriyo; Zangrando, Ennio; Sanyal, Ria","Supramolecular networks of picrate derivatives with tunable hydrogen-bonding densities for selective bacterial killing","New Journal of Chemistry","2026","50","7","2994","3018","10.1039/D5NJ04072H","","","0.71073","MoKα","","0.0542","0.0499","","","0.1376","0.1425","","","","","","1.081","","","","has coordinates","304448","2026-02-17","01:52:18",""
"7064273","13.1194","0.0004","12.8734","0.0004","10.0344","0.0005","90","","100.177","0.004","90","","1668.06","0.11","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C20 H16 N2 O4 -","- C20 H16 N2 O4 -","- C80 H64 N8 O16 -","4","1","","Jia, Yun-Qing; Mu, Ting-ting; Liu, Hong-xian; Xiang, Min; Shen, Li-Wen","DBU-promoted [3+2] cycloaddition for the synthesis of trispiro heterocycles from acetylpyrazolyl-substituted oxindoles and substituted isatins","New Journal of Chemistry","2026","50","9","3947","3951","10.1039/D5NJ04657B","","","1.54184","CuKα","","0.0484","0.0457","","","0.1298","0.1343","","","","","","1.057","","","","has coordinates","304939","2026-03-05","13:03:17",""
"7064274","11.07456","0.00008","19.22227","0.00013","23.30686","0.00016","90","","90","","90","","4961.52","0.06","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H33 F N2 O4 -","- C28 H33 F N2 O4 -","- C224 H264 F8 N16 O32 -","8","2","","Guo, Dong-Gui; Zhang, Sijie; Liu, Lin-Lu; Cen, Hong-Xing; Liu, Xiong-Li; Wang, Hui-Juan; Peng, Li-Jun","Biomimetic synthesis of dispiro sesquiterpene lactone type alkaloids and discovery of potential anticancer scaffolds","New Journal of Chemistry","2026","50","7","3225","3238","10.1039/D5NJ04317D","","x-ray","1.54184","CuKα","","0.0311","0.0296","","","0.0709","0.0718","","","","","","1.043","","","","has coordinates","304450","2026-02-17","01:52:54",""
"7064275","5.999","0.004","21.072","0.013","12.373","0.008","90","","94.18","0.03","90","","1559.9","1.7","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C13 H16 Cl Cu N3 O S -","- C13 H16 Cl Cu N3 O S -","- C52 H64 Cl4 Cu4 N12 O4 S4 -","4","1","","Roy, Indrani; Sarkar, Tapan; Brandao, Paula; Banerjee, Abhijit; Saha, Sandip; Bera, Manindranath","Thiocyanato-bridged new copper(ii) 1D polymeric chains: structures, electrical properties, catecholase activity and DFT studies","New Journal of Chemistry","2026","50","7","3065","3077","10.1039/D5NJ04496K","","","0.71073","MoKα","","0.0479","0.0464","","","0.1324","0.1338","","","","","","1.158","","","","has coordinates","304451","2026-02-17","01:53:10",""
"7064276","6.0003","0.0002","21.1415","0.0008","12.3189","0.0004","90","","94.472","0.002","90","","1557.96","0.09","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C13 H16 Br Cu N3 O S -","- C13 H16 Br Cu N3 O S -","- C52 H64 Br4 Cu4 N12 O4 S4 -","4","1","","Roy, Indrani; Sarkar, Tapan; Brandao, Paula; Banerjee, Abhijit; Saha, Sandip; Bera, Manindranath","Thiocyanato-bridged new copper(ii) 1D polymeric chains: structures, electrical properties, catecholase activity and DFT studies","New Journal of Chemistry","2026","50","7","3065","3077","10.1039/D5NJ04496K","","","0.71073","MoKα","","0.0304","0.0256","","","0.0659","0.0691","","","","","","1.03","","","","has coordinates","304451","2026-02-17","01:53:13",""
"7064277","7.0173","0.0004","14.213","0.001","15.1454","0.001","64.302","0.002","81.405","0.002","77.696","0.002","1327.09","0.15","296.9","","296.9","","","","","","","","","7","P -1","-P 1","2","","","","- C25 H25 Br I N O3 S2 -","- C25 H25 Br I N O3 S2 -","- C50 H50 Br2 I2 N2 O6 S4 -","2","1","","Zhang, Simiao; Deng, Jianbin; Wang, Junqi; Lv, Bingzhen; Weng, Peixu; Wang, Yong; Wan, Xiaobing","Substrate-initiated radical relay: redox-neutral iodo/bromo sulfoximination of alkynes","New Journal of Chemistry","2026","50","7","3267","3274","10.1039/D5NJ04903B","","","0.71073","MoKα","","0.0587","0.0416","","","0.0916","0.1016","","","","","","1.033","","","","has coordinates","304452","2026-02-17","01:53:29",""
"7064278","13.6265","0.0017","15.0163","0.0014","16.2071","0.0019","77.116","0.009","70.89","0.01","66.469","0.008","2856.6","0.6","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C98 H110.72 B6 Cl6 F12 Fe N40 O8.36 -","- C98 H110 B6 Cl6 F12 Fe N40 O8.36 -","- C98 H110 B6 Cl6 F12 Fe N40 O8.36 -","1","0.5","","Schöbinger, Matthias; Huber, Martin; Stöger, Berthold; Weinberger, Peter","Linkage isomerism in a homoleptic Fe(ii) complex with BODIPY-1H-tetrazole ligands","New Journal of Chemistry","2026","50","10","4271","4277","10.1039/D5NJ03028E","","x-ray","1.54186","CuKα","","0.0589","0.0471","","","0.1168","0.1249","","","","","","1.036","","","","has coordinates,has disorder","305411","2026-04-05","12:20:47",""
"7064279","13.6961","0.0009","15.0329","0.0009","16.4033","0.0011","76.081","0.005","70.357","0.005","66.017","0.005","2884.9","0.3","100","","100","","","","","","","","","9","P -1","-P 1","2","Trirubidium sodium tetraplumbate","","","- C98 H110 B6 Br4 Cl2 F12 Fe N40 O8 -","- C98 H110 B6 Br4 Cl2 F12 Fe N40 O8 -","- C98 H110 B6 Br4 Cl2 F12 Fe N40 O8 -","1","0.5","","Schöbinger, Matthias; Huber, Martin; Stöger, Berthold; Weinberger, Peter","Linkage isomerism in a homoleptic Fe(ii) complex with BODIPY-1H-tetrazole ligands","New Journal of Chemistry","2026","50","10","4271","4277","10.1039/D5NJ03028E","","x-ray","1.54186","CuKα","","0.0735","0.0654","","","0.1772","0.1872","","","","","","1.043","","","","has coordinates,has disorder","305411","2026-04-05","12:20:47",""
"7064280","13.783","0.0004","15.1424","0.0004","16.3431","0.0005","78.046","0.002","71.282","0.002","66.404","0.002","2948.24","0.16","300","","300","","","","","","","","","8","P -1","-P 1","2","","","","- C98 H110 B6 Cl6 F12 Fe N40 O8 -","- C98 H110 B6 Cl6 F12 Fe N40 O8 -","- C98 H110 B6 Cl6 F12 Fe N40 O8 -","1","0.5","","Schöbinger, Matthias; Huber, Martin; Stöger, Berthold; Weinberger, Peter","Linkage isomerism in a homoleptic Fe(ii) complex with BODIPY-1H-tetrazole ligands","New Journal of Chemistry","2026","50","10","4271","4277","10.1039/D5NJ03028E","","x-ray","1.54186","CuKα","","0.0922","0.0659","","","0.184","0.2058","","","","","","1.056","","","","has coordinates,has disorder","305411","2026-04-05","12:20:47",""
"7064281","33.0397","0.0009","14.6823","0.0003","17.0224","0.0005","90","","95.455","0.002","90","","8220.1","0.4","100","","100","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C70.62 H98.5 B4 Cl2 F8 Fe N24 O12.62 -","- C70.628 H94 B4 Cl2 F8 Fe N24 O12.628 -","- C282.512 H376 B16 Cl8 F32 Fe4 N96 O50.512 -","4","0.5","","Schöbinger, Matthias; Huber, Martin; Stöger, Berthold; Weinberger, Peter","Linkage isomerism in a homoleptic Fe(ii) complex with BODIPY-1H-tetrazole ligands","New Journal of Chemistry","2026","50","10","4271","4277","10.1039/D5NJ03028E","","x-ray","1.54186","CuKα","","0.0664","0.057","","","0.1459","0.1531","","","","","","1.035","","","","has coordinates,has disorder","305411","2026-04-05","12:20:47",""
"7064282","9.2755","0.0002","16.9467","0.0002","24.313","0.0005","90","","94.373","0.002","90","","3810.61","0.12","100","","100","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C66 H80 B4 Cl2 F8 Fe N24 O10 -","- C66 H80 B4 Cl2 F8 Fe N24 O10 -","- C132 H160 B8 Cl4 F16 Fe2 N48 O20 -","2","0.5","","Schöbinger, Matthias; Huber, Martin; Stöger, Berthold; Weinberger, Peter","Linkage isomerism in a homoleptic Fe(ii) complex with BODIPY-1H-tetrazole ligands","New Journal of Chemistry","2026","50","10","4271","4277","10.1039/D5NJ03028E","","x-ray","1.54186","CuKα","","0.0545","0.0485","","","0.1253","0.1299","","","","","","1.061","","","","has coordinates","305411","2026-04-05","12:20:47",""
"7064283","13.1934","0.0006","15.1208","0.0006","18.2955","0.0008","88.901","0.003","90.465","0.004","85.38","0.003","3637.2","0.3","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C60 H72 B4 Cl2 F8 Fe N24 O10 -","- C60 H72 B4 Cl2 F8 Fe N24 O10 -","- C120 H144 B8 Cl4 F16 Fe2 N48 O20 -","2","1","","Schöbinger, Matthias; Huber, Martin; Stöger, Berthold; Weinberger, Peter","Linkage isomerism in a homoleptic Fe(ii) complex with BODIPY-1H-tetrazole ligands","New Journal of Chemistry","2026","50","10","4271","4277","10.1039/D5NJ03028E","","x-ray","0.71073","MoKα","","0.1484","0.0695","","","0.1874","0.2079","","","","","","0.938","","","","has coordinates","305411","2026-04-05","12:20:47",""
"7064284","14.1696","0.0013","5.9807","0.0008","26.5375","0.0015","90","","93.217","0.003","90","","2245.4","0.4","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Aqua-bis(imidazole-N)-bis(methylbenzoato-O)-mangase(II)","","","- C22 H24 Mn N4 O5 -","- C22 H24 Mn N4 O5 -","- C88 H96 Mn4 N16 O20 -","4","1","","Sikdar, Papiya; Choudhuri, Tathagata; Das, Sourav; Paul, Suvam; Bagdi, Avik Kumar","Photocatalyst-free visible-light-induced cross-dehydrogenative sulfenylation of aminocoumarins and amino-1,4-naphthoquinones","New Journal of Chemistry","2026","50","9","4074","4079","10.1039/D5NJ04082E","","","0.71073","MoKα","","0.04","0.033","","","0.08","0.088","","","","","","1.123","","","","has coordinates","304940","2026-03-05","13:03:25",""
"7064285","8.4678","","4.9958","","9.9513","","90","","90","","90","","420.974","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Barium Europium Bromide Iodide (0.95/0.05/1.52/0.48)","","- Ba0.95 Br1.52 Eu0.05 I0.48 -","- Ba Br2 Eu I -","- Ba4 Br8 Eu4 I4 -","4","0.5","","Sikdar, Papiya; Choudhuri, Tathagata; Das, Sourav; Paul, Suvam; Bagdi, Avik Kumar","Photocatalyst-free visible-light-induced cross-dehydrogenative sulfenylation of aminocoumarins and amino-1,4-naphthoquinones","New Journal of Chemistry","2026","50","9","4074","4079","10.1039/D5NJ04082E","","","","","","0.0319","","","","","","","","","","","","","","","has coordinates","304940","2026-03-05","13:03:25",""
"7064286","13.27","0.0009","13.27","0.0009","14.494","0.002","90","","90","","120","","2210.3","0.4","296","2","296.15","","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- B15 K7 Mg O30 Y2 -","- B15 K7 Mg O30 Y2 -","- B45 K21 Mg3 O90 Y6 -","3","0.166667","","Liu, Haozhen; Du, Shiyu; Zhang, Paipai; Zhao, Jiawei; Chen, Yanna; An, Donghai","K7MgY2(B5O10)3: a novel ultraviolet nonlinear optical crystal based on the [B5O10] functional unit","New Journal of Chemistry","2026","50","9","4052","4058","10.1039/D5NJ04947D","","","0.71073","MoKα","","0.0226","0.0202","","","0.0453","0.046","","","","","","0.922","","","","has coordinates","304943","2026-03-05","13:04:03",""
"7064287","8.349","0.0002","9.2715","0.0002","15.566","0.0003","95.727","0.001","95.771","0.001","90.47","0.001","1192.64","0.04","295","","295","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H10 F N4 -","- C13 H10 F N4 -","- C52 H40 F4 N16 -","4","2","","Ge, Xuan; Cheng, Xuebo; Chen, Hualong; Tong, Jinghui; Zhang, Yongzhong; Liu, Yajing; Ai, Lin; Wu, Zehui","Species-dependent aromatase imaging in rodents, blood–brain barrier permeability, and tumor visualization with a novel 18F-labeled PET tracer, [18F]AromataPET-1","New Journal of Chemistry","2026","50","12","5156","5166","10.1039/D6NJ00151C","","","1.54184","CuKα","","0.086","0.0601","","","0.1759","0.1907","","","","","","1.075","","","","has coordinates","305426","2026-04-05","12:23:40",""
"7064288","3.6529","0.0002","31.8096","0.0012","14.7708","0.0006","90","","92.369","0.002","90","","1714.86","0.13","198","","198","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C7 H6 F N3 O4 -","- C7 H6 F N3 O4 -","- C56 H48 F8 N24 O32 -","8","2","","Yan, Yujie; Huang, Tao; Xiang, Yuge; Wang, Chengrong; Wang, Binshen; Luo, Liqiong; Peng, Rufang; Jin, Bo","Design and synthesis of fluorinated nitroaniline-fused carrier explosives","New Journal of Chemistry","2026","50","9","4146","4155","10.1039/D5NJ04260G","","x-ray","0.71073","MoKα","","0.0403","0.035","","","0.0792","0.0832","","","","","","1.059","","","","has coordinates","304941","2026-03-05","13:03:34",""
"7064289","8.06","0.004","16.847","0.009","8.157","0.004","90","","119.027","0.012","90","","968.5","0.9","293","2","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H3 F4 N3 O4 -","- C7 H3 F4 N3 O4 -","- C28 H12 F16 N12 O16 -","4","1","","Yan, Yujie; Huang, Tao; Xiang, Yuge; Wang, Chengrong; Wang, Binshen; Luo, Liqiong; Peng, Rufang; Jin, Bo","Design and synthesis of fluorinated nitroaniline-fused carrier explosives","New Journal of Chemistry","2026","50","9","4146","4155","10.1039/D5NJ04260G","","","0.71073","MoKα","","0.1094","0.0685","","","0.1367","0.1635","","","","","","1.116","","","","has coordinates","304941","2026-03-05","13:03:34",""
"7064290","7.777","0.0014","18.075","0.003","7.8704","0.0013","90","","96.382","0.006","90","","1099.5","0.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C9 H6 Cl N3 O3 S -","- C9 H6 Cl N3 O3 S -","- C36 H24 Cl4 N12 O12 S4 -","4","1","","Zaw, Hein Khant; Zhu, Li; Ju, Yichun; Jiang, Huijun; Wang, Yuan; Zhou, Ping; Yang, Yi; Gao, Han; Chen, Yuncong; Xiong, Zhixin; Zhang, Zhenqin","Unveiling the role of CO2 in the spontaneous formation of a platinum(ii)–amino acid complex","New Journal of Chemistry","2026","50","9","4196","4205","10.1039/D5NJ04356E","","","0.71073","MoKα","","0.0475","0.0424","","","0.1307","0.1404","","","","","","0.979","","","","has coordinates","304938","2026-03-05","13:03:09",""
"7064291","9.2786","0.0005","16.7335","0.001","21.5989","0.0012","107.902","0.002","92.782","0.002","98.599","0.002","3139.3","0.3","273.15","","273.15","","","","","","","","","4","P -1","-P 1","2","","HL","","- C42 H30 N2 O -","- C42 H30 N2 O -","- C168 H120 N8 O4 -","4","2","","Wang, Dan; Han, Rong-Rong; Li, Shu-Mu; Shao, Tian-Fen; Yang, Xiufang; Ma, Yangmin","D–π–A-type tetraphenylethylene-based AIEgen: multi-stimuli-responsive behavior and multilevel anti-counterfeiting applications","New Journal of Chemistry","2026","50","12","5231","5239","10.1039/D6NJ00063K","","","0.71073","MoKα","","0.1207","0.062","","","0.1426","0.1713","","","","","","1.03","","","","has coordinates","305422","2026-04-05","12:23:22",""
"7064292","13.2971","0.0009","13.2971","0.0009","18.6295","0.0017","90","","90","","120","","2852.6","0.4","193","","193","","","","","","","","","7","P 63/m","-P 6c","176","","","","- C42 H28 K2.74 Li0.26 Ni6 O15 S8 -","- C42 H27.999 K2.735 Li0.265 Ni6 O14.9994 S8 -","- C84 H55.998 K5.47 Li0.53 Ni12 O29.9988 S16 -","2","0.166667","","Liu, Yuanyuan; Lin, Xihao; Li, Xinhua; Zhang, Weibing; Yang, Zhi; Xu, Xiangju","The energy-storage mechanism of a battery-type coordination polymer electrode material for hybrid supercapacitors","New Journal of Chemistry","2026","50","10","4322","4332","10.1039/D5NJ04227E","","x-ray","0.71073","MoKα","","0.0805","0.0506","","","0.1067","0.1214","","","","","","1.026","","","","has coordinates,has disorder","305416","2026-04-05","12:21:58",""
"7064293","9.1739","0.0007","14.8378","0.0011","16.1206","0.0013","106.896","0.003","94.066","0.003","91.916","0.003","2091","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C15.36 H19.2 I2 N7.68 O3.84 -","- C15.36 H19.2 I2 N7.68 O3.84 -","- C61.44 H76.8 I8 N30.72 O15.36 -","4","2","","Isaia, Francesco; Aragoni, Maria Carla; Arca, Massimiliano; Demartin, Francesco; Garau, Alessandra; Lippolis, Vito; Pivetta, Tiziana; Podda, Enrico","Supramolecular architectures in the reaction products of caffeine with dihalogens: crystal structures of the CT-adduct bis(caffeine)-diiodine and the caffeinium iodine dichloride salt","New Journal of Chemistry","2026","50","12","5253","5265","10.1039/D5NJ05002B","","x-ray","0.71073","MoKα","","0.0404","0.0316","","","0.0741","0.0795","","","","","","1.091","","","","has coordinates,has disorder","305425","2026-04-05","12:23:38",""
"7064294","8.77","0.003","10.79","0.002","14.274","0.007","90","","91.77","0.03","90","","1350.1","0.8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","caffeinium iodine dichloride","","","- C8 H11 Cl2 I N4 O2 -","- C8 H11 Cl2 I N4 O2 -","- C32 H44 Cl8 I4 N16 O8 -","4","1","","Isaia, Francesco; Aragoni, Maria Carla; Arca, Massimiliano; Demartin, Francesco; Garau, Alessandra; Lippolis, Vito; Pivetta, Tiziana; Podda, Enrico","Supramolecular architectures in the reaction products of caffeine with dihalogens: crystal structures of the CT-adduct bis(caffeine)-diiodine and the caffeinium iodine dichloride salt","New Journal of Chemistry","2026","50","12","5253","5265","10.1039/D5NJ05002B","","","0.71073","MoKα","","0.0824","0.0548","","","0.1403","0.1586","","","","","","1.033","","","","has coordinates","305425","2026-04-05","12:23:38",""
"7064295","8.26","0.0017","31.508","0.006","13.655","0.003","90","","90","","90","","3553.8","1.3","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C36 H32 Cu2 N2 O13 -","- C36 H32 Cu2 N2 O13 -","- C144 H128 Cu8 N8 O52 -","4","1","","Sang, Wuhan; Liu, Miaomiao; Xu, Li; Yang, Shilong; Wang, Yanqin; Zhang, Caihua; Lu, Wen","Evaluation of anticancer potential of a binuclear copper(ii) complex with a 3-(pyridin-3-yl) coumarin ligand: synthesis, crystal structure, magnetism, DNA interaction and molecular dynamics simulations","New Journal of Chemistry","2026","50","8","3482","3494","10.1039/D5NJ04590H","","","0.71073","MoKα","","0.2282","0.0844","","","0.1491","0.2077","","","","","","1.002","","","","has coordinates","304599","2026-02-24","01:54:41",""
"7064296","10.541","0.0004","15.7908","0.0005","16.3627","0.0007","108.584","0.003","102.988","0.003","105.227","0.003","2345","0.18","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C76 H72 N8 O8 -","- C76 H72 N8 O8 -","- C76 H72 N8 O8 -","1","0.5","","Kishimoto, Yuto; Katagiri, Hiroshi; Yamada, Manabu","Synthesis and crystal structure of a [2+4]-type organic cage based on calix[4]arene","New Journal of Chemistry","2026","50","8","3450","3456","10.1039/D5NJ03563E","","x-ray","0.71073","MoKα","","0.1539","0.1078","","","0.289","0.3154","","","","","","1.128","","","","has coordinates","304600","2026-02-24","01:54:53",""
"7064297","9.9287","0.0002","11.2711","0.0002","13.6153","0.0002","82.45","0.001","80.077","0.001","88.319","0.001","1487.81","0.05","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C24 H30 Br Cl F6 N5 P Ru -","- C24 H30 Br Cl F6 N5 P Ru -","- C48 H60 Br2 Cl2 F12 N10 P2 Ru2 -","2","1","","Bhunya, Debasis; Datta, Riya; Maity, Swapan; Sahoo, Subhasish; Samanta, Bidhan Chandra","Engineering Ru(ii) Schiff base complexes as biofunctional materials: cytotoxic and cell imaging perspectives","New Journal of Chemistry","2026","50","12","5266","5276","10.1039/D6NJ00553E","","x-ray","0.71073","MoKα","","0.0556","0.046","","","0.1403","0.1459","","","","","","1.028","","","","has coordinates","305424","2026-04-05","12:23:35",""
"7064298","17.9849","0.0017","14.7321","0.0013","31.121","0.003","90","","91.603","0.004","90","","8242.4","1.3","120","2","120","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C60.6 H46.7 F18 Ho2 N3.5 O15.5 -","- C55.418 H33.582 F18 Ho2 N2 O14 -","- C221.672 H134.328 F72 Ho8 N8 O56 -","4","1","","Princík, Dávid; Zeleňák, Vladimír; Gyepes, Róbert; Čižmár, Erik; Zeleňáková, Adriána; Zelenková, Gabriela; Elečko, Ján","Structure, spectral, thermal, and magnetic properties, and hydrolytic stability of three novel fluorinated MOFs based on Ho(iii), Dy(iii), and Yb(iii) ions","New Journal of Chemistry","2026","50","12","5334","5352","10.1039/D5NJ04235F","","x-ray","1.54178","CuKα","","0.0596","0.0518","","","0.1468","0.1553","","","","","","1.023","","","","has coordinates,has disorder","305423","2026-04-05","12:23:32",""
"7064299","8.0141","0.0008","14.6271","0.0015","21.274","0.002","104.827","0.002","97.524","0.002","101.728","0.002","2315.9","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H34 F12 N2 O14 Yb2 -","- C43 H34 F12 N2 O14 Yb2 -","- C86 H68 F24 N4 O28 Yb4 -","2","1","","Princík, Dávid; Zeleňák, Vladimír; Gyepes, Róbert; Čižmár, Erik; Zeleňáková, Adriána; Zelenková, Gabriela; Elečko, Ján","Structure, spectral, thermal, and magnetic properties, and hydrolytic stability of three novel fluorinated MOFs based on Ho(iii), Dy(iii), and Yb(iii) ions","New Journal of Chemistry","2026","50","12","5334","5352","10.1039/D5NJ04235F","","x-ray","0.71073","MoKα","","0.0238","0.0196","","","0.0427","0.045","","","","","","1.093","","","","has coordinates,has disorder","305423","2026-04-05","12:23:32",""
"7064300","11.805","0.001","11.9329","0.001","13.5763","0.0012","103.728","0.007","91.311","0.007","104.029","0.008","1795.8","0.3","297","","297","","","","","","","","","4","P -1","-P 1","2","","","","- C40 H34 N10 O2 -","- C40 H34 N10 O2 -","- C80 H68 N20 O4 -","2","1","","Rayasingh, Amlan Ranjan; Manivannan, Vadivelu","Dinuclear palladium(ii) complexes of N-(imidazo[1,5-a]pyridin-1-yl)picolinimidamides: highly active catalysts for C–C and C–P bond formation","New Journal of Chemistry","2026","50","13","5541","5550","10.1039/D5NJ04746C","","x-ray","0.71073","MoKα","","0.1661","0.0745","","","0.1679","0.2329","","","","","","1.019","","","","has coordinates","305420","2026-04-05","12:23:10",""
"7064301","13.5754","0.0009","10.0125","0.0007","12.8537","0.0008","90","","94.76","0.002","90","","1741.1","0.2","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 N5 O -","- C20 H17 N5 O -","- C80 H68 N20 O4 -","4","1","","Rayasingh, Amlan Ranjan; Manivannan, Vadivelu","Dinuclear palladium(ii) complexes of N-(imidazo[1,5-a]pyridin-1-yl)picolinimidamides: highly active catalysts for C–C and C–P bond formation","New Journal of Chemistry","2026","50","13","5541","5550","10.1039/D5NJ04746C","","","0.71073","MoKα","","0.146","0.0805","","","0.1348","0.1672","","","","","","1.169","","","","has coordinates","305420","2026-04-05","12:23:10",""
"7064302","9.992","0.005","12.228","0.006","17.586","0.009","90","","97.053","0.015","90","","2132.4","1.9","297","","297","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H23 N -","- C28 H23 N -","- C112 H92 N4 -","4","1","","Rayasingh, Amlan Ranjan; Manivannan, Vadivelu","Dinuclear palladium(ii) complexes of N-(imidazo[1,5-a]pyridin-1-yl)picolinimidamides: highly active catalysts for C–C and C–P bond formation","New Journal of Chemistry","2026","50","13","5541","5550","10.1039/D5NJ04746C","","","0.71073","MoKα","","0.1681","0.0997","","","0.2084","0.2461","","","","","","1.153","","","","has coordinates","305420","2026-04-05","12:23:10",""
"7064303","8.3384","0.0009","10.0478","0.0006","10.3112","0.0007","73.262","0.006","83.132","0.007","82.57","0.007","817.26","0.12","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Imidazopy2Cl","","- C19 H14 Cl N5 -","- C19 H14 Cl N5 -","- C38 H28 Cl2 N10 -","2","1","","Rayasingh, Amlan Ranjan; Manivannan, Vadivelu","Dinuclear palladium(ii) complexes of N-(imidazo[1,5-a]pyridin-1-yl)picolinimidamides: highly active catalysts for C–C and C–P bond formation","New Journal of Chemistry","2026","50","13","5541","5550","10.1039/D5NJ04746C","","x-ray","0.71073","MoKα","","0.0676","0.0465","","","0.1146","0.1347","","","","","","1.064","","","","has coordinates","305420","2026-04-05","12:23:10",""
"7064304","6.7421","0.0005","11.079","0.0013","12.2068","0.0015","75.582","0.01","74.358","0.008","87.772","0.007","849.98","0.17","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H14 Br N5 -","- C19 H14 Br N5 -","- C38 H28 Br2 N10 -","2","1","","Rayasingh, Amlan Ranjan; Manivannan, Vadivelu","Dinuclear palladium(ii) complexes of N-(imidazo[1,5-a]pyridin-1-yl)picolinimidamides: highly active catalysts for C–C and C–P bond formation","New Journal of Chemistry","2026","50","13","5541","5550","10.1039/D5NJ04746C","","x-ray","0.71073","MoKα","","0.1261","0.0732","","","0.1652","0.2051","","","","","","0.995","","","","has coordinates","305420","2026-04-05","12:23:10",""
"7064305","29.778","0.009","29.778","0.009","26.221","0.012","90","","90","","90","","23251","15","298","","298","","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C61 H83 Cl3 N17 O9 Pd2 -","- C40 H34 Cl3 N10 O2 Pd2 -","- C640 H544 Cl48 N160 O32 Pd32 -","16","1","","Rayasingh, Amlan Ranjan; Manivannan, Vadivelu","Dinuclear palladium(ii) complexes of N-(imidazo[1,5-a]pyridin-1-yl)picolinimidamides: highly active catalysts for C–C and C–P bond formation","New Journal of Chemistry","2026","50","13","5541","5550","10.1039/D5NJ04746C","","","0.71073","MoKα","","0.1494","0.0921","","","0.1627","0.1912","","","","","","1.045","","","","has coordinates","305420","2026-04-05","12:23:10",""
"7064306","8.0457","0.0003","17.7155","0.0006","23.531","0.0008","90","","91.909","0.001","90","","3352.1","0.2","298","","298","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H17 N5 -","- C20 H17 N5 -","- C160 H136 N40 -","8","2","","Rayasingh, Amlan Ranjan; Manivannan, Vadivelu","Dinuclear palladium(ii) complexes of N-(imidazo[1,5-a]pyridin-1-yl)picolinimidamides: highly active catalysts for C–C and C–P bond formation","New Journal of Chemistry","2026","50","13","5541","5550","10.1039/D5NJ04746C","","","0.71073","MoKα","","0.0771","0.0512","","","0.111","0.1293","","","","","","1.108","","","","has coordinates","305420","2026-04-05","12:23:10",""
"7064307","11.5271","0.0016","16.201","0.002","19.385","0.003","74.945","0.004","75.354","0.004","74.117","0.004","3297.4","0.8","298","","298","","","","","","","","","8","P -1","-P 1","2","","","","- C4.45 H5 Cl0.18 F1.09 N1.18 O0.27 P0.18 Pd0.18 -","- C4.45455 H5 Cl0.181818 F1.09091 N1.18182 O0.272727 P0.181818 Pd0.181818 -","- C98 H110 Cl4 F24 N26 O6 P4 Pd4 -","22","11","","Rayasingh, Amlan Ranjan; Manivannan, Vadivelu","Dinuclear palladium(ii) complexes of N-(imidazo[1,5-a]pyridin-1-yl)picolinimidamides: highly active catalysts for C–C and C–P bond formation","New Journal of Chemistry","2026","50","13","5541","5550","10.1039/D5NJ04746C","","","0.71073","MoKα","","0.0763","0.0591","","","0.1539","0.1748","","","","","","1.032","","","","has coordinates","305420","2026-04-05","12:23:10",""
"7064308","13.7618","0.0008","14.285","0.0008","14.7187","0.0009","81.543","0.002","88.825","0.002","86.568","0.002","2856.7","0.3","297","","297","","","","","","","","","9","P -1","-P 1","2","","","","- C47 H49 Br2 Cl2 F12 N13 O3 P2 Pd2 -","- C41 H35 Br2 Cl2 F12 N11 O P2 Pd2 -","- C82 H70 Br4 Cl4 F24 N22 O2 P4 Pd4 -","2","1","","Rayasingh, Amlan Ranjan; Manivannan, Vadivelu","Dinuclear palladium(ii) complexes of N-(imidazo[1,5-a]pyridin-1-yl)picolinimidamides: highly active catalysts for C–C and C–P bond formation","New Journal of Chemistry","2026","50","13","5541","5550","10.1039/D5NJ04746C","","","0.71073","MoKα","","0.0934","0.0561","","","0.1415","0.1768","","","","","","1.054","","","","has coordinates","305420","2026-04-05","12:23:10",""
"7064309","14.662","0.002","17.696","0.002","19.747","0.003","68.86","0.004","78.938","0.004","88.158","0.004","4686.1","1.1","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C91.25 H94.25 Cl4 N23.75 O7.75 Pd4 -","- C80 H68 Cl4 N20 O4 Pd4 -","- C160 H136 Cl8 N40 O8 Pd8 -","2","1","","Rayasingh, Amlan Ranjan; Manivannan, Vadivelu","Dinuclear palladium(ii) complexes of N-(imidazo[1,5-a]pyridin-1-yl)picolinimidamides: highly active catalysts for C–C and C–P bond formation","New Journal of Chemistry","2026","50","13","5541","5550","10.1039/D5NJ04746C","","x-ray","0.71073","MoKα","","0.1616","0.0897","","","0.2205","0.3133","","","","","","1.086","","","","has coordinates","305420","2026-04-05","12:23:10",""
"7064310","12.611","0.003","13.376","0.003","14.162","0.003","71.22","0.005","80.398","0.005","78.127","0.005","2200.3","0.9","299","","299","","","","","","","","","6","P -1","-P 1","2","","2413Pd","","- C45.5 H45.5 Cl4 N12.5 O2.5 Pd2 -","- C38 H28 Cl4 N10 Pd2 -","- C76 H56 Cl8 N20 Pd4 -","2","1","","Rayasingh, Amlan Ranjan; Manivannan, Vadivelu","Dinuclear palladium(ii) complexes of N-(imidazo[1,5-a]pyridin-1-yl)picolinimidamides: highly active catalysts for C–C and C–P bond formation","New Journal of Chemistry","2026","50","13","5541","5550","10.1039/D5NJ04746C","","x-ray","0.71073","MoKα","","0.0439","0.0343","","","0.0912","0.1016","","","","","","1.099","","","","has coordinates,has disorder","305420","2026-04-05","12:23:10",""
"7064311","15.2981","0.0012","9.4511","0.0008","12.1139","0.0011","90","","95.35","0.005","90","","1743.8","0.3","299","2","299","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H26 N2 O3 -","- C17 H26 N2 O3 -","- C68 H104 N8 O12 -","4","1","","Avala, Priyanka; Kumar, Malavika S.; Das, Avijit Kumar; Sardar, Ankan; Maity, Tilak Raj; Samanta, Aveek; Dolai, Malay","Mechanistic elucidation of irreversible chemodosimetric sensing of hydrazine through structural, computational, and bioimaging analyses","New Journal of Chemistry","2026","50","1","433","440","10.1039/D5NJ04044B","","","0.71073","MoKα","","0.1423","0.0929","","","0.2538","0.2803","","","","","","1.181","","","","has coordinates","304782","2026-03-04","22:00:15",""
"7064312","9.341","0.0002","12.3538","0.0003","19.841","0.0005","90","","90","","90","","2289.59","0.09","304.6","0.2","304.6","0.2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C H N O -","- C2.4186 H2.13953 N0.465116 O0.27907 -","- C104 H92 N20 O12 -","43","10.75","","Sathish, Kota; Majhi, Subir; Parida, Ankita; Nagaraju, Sakkani; Kashinath, Dhurke","Solvent directed base-enabled diastereodivergent domino cycloaddition of isoxazole–oxindole styrenes and Michael additions of isoxazole–styrenes with vinyl malononitriles","New Journal of Chemistry","2026","50","5","2350","2355","10.1039/D5NJ03725E","","x-ray","0.71073","MoKα","","0.0794","0.0599","","","0.1617","0.1825","","","","","","1.055","","","","has coordinates","304783","2026-03-04","22:01:41",""
"7064313","11.5473","0.0003","13.99","0.0004","14.7675","0.0003","80.6","0.002","89.223","0.002","77.075","0.002","2293.32","0.1","304.9","","304.9","","","","","","","","","4","P -1","-P 1","2","","","","- C25 H23 N5 O4 -","- C25 H23 N5 O4 -","- C100 H92 N20 O16 -","4","2","","Sathish, Kota; Majhi, Subir; Parida, Ankita; Nagaraju, Sakkani; Kashinath, Dhurke","Solvent directed base-enabled diastereodivergent domino cycloaddition of isoxazole–oxindole styrenes and Michael additions of isoxazole–styrenes with vinyl malononitriles","New Journal of Chemistry","2026","50","5","2350","2355","10.1039/D5NJ03725E","","x-ray","0.71073","MoKα","","0.089","0.0552","","","0.152","0.1738","","","","","","1.076","","","","has coordinates","304783","2026-03-04","22:01:41",""
"7064314","9.5829","0.0005","9.6101","0.0005","12.9002","0.0008","90","","110.305","0.002","90","","1114.19","0.11","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 N6 O2 Zn -","- C26 H22 N6 O2 Zn -","- C52 H44 N12 O4 Zn2 -","2","0.5","","Tran, Vy-Phuong; Kundu, Arup; Scott, Madelyn N.; Iwanicki, Ainsley; Nalaoh, Phattananawee; Diers, James R.; Taniguchi, Masahiko; Bocian, David F.; Schlau-Cohen, Gabriela S.; Lindsey, Jonathan S.","Synthesis and characterization of 5,15-bis(hydroxymethyl)porphyrins – simple compounds distantly inspired by the chlorosomal bacteriochlorophylls","New Journal of Chemistry","2026","50","4","1990","2004","10.1039/D5NJ04118J","","","0.71073","MoKα","","0.0352","0.0322","","","0.0861","0.0891","","","","","","1.058","","","","has coordinates","304784","2026-03-04","22:02:23",""
"7064315","8.2431","0.0015","10.46","0.002","11.845","0.002","106.04","0.006","105.616","0.005","106.667","0.006","870.4","0.3","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C44 H44 N4 O2 Zn -","- C44 H44 N4 O2 Zn -","- C44 H44 N4 O2 Zn -","1","0.5","","Tran, Vy-Phuong; Kundu, Arup; Scott, Madelyn N.; Iwanicki, Ainsley; Nalaoh, Phattananawee; Diers, James R.; Taniguchi, Masahiko; Bocian, David F.; Schlau-Cohen, Gabriela S.; Lindsey, Jonathan S.","Synthesis and characterization of 5,15-bis(hydroxymethyl)porphyrins – simple compounds distantly inspired by the chlorosomal bacteriochlorophylls","New Journal of Chemistry","2026","50","4","1990","2004","10.1039/D5NJ04118J","","","0.71073","MoKα","","0.0353","0.0345","","","0.0852","0.0858","","","","","","1.067","","","","has coordinates","304784","2026-03-04","22:02:23",""
"7064316","5.077","0.0008","15.715","0.003","23.357","0.003","90","","90","","90","","1863.5","0.5","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H20 N4 Zn -","- C24 H20 N4 Zn -","- C96 H80 N16 Zn4 -","4","0.5","","Tran, Vy-Phuong; Kundu, Arup; Scott, Madelyn N.; Iwanicki, Ainsley; Nalaoh, Phattananawee; Diers, James R.; Taniguchi, Masahiko; Bocian, David F.; Schlau-Cohen, Gabriela S.; Lindsey, Jonathan S.","Synthesis and characterization of 5,15-bis(hydroxymethyl)porphyrins – simple compounds distantly inspired by the chlorosomal bacteriochlorophylls","New Journal of Chemistry","2026","50","4","1990","2004","10.1039/D5NJ04118J","","","0.71073","MoKα","","0.061","0.0469","","","0.1099","0.1182","","","","","","1.13","","","","has coordinates","304784","2026-03-04","22:02:23",""
"7064317","6.3194","0.0008","14.9366","0.0016","34.979","0.005","90","","90.408","0.004","90","","3301.6","0.7","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H24 N4 O2 Zn -","- C34 H24 N4 O2 Zn -","- C136 H96 N16 O8 Zn4 -","4","1","","Tran, Vy-Phuong; Kundu, Arup; Scott, Madelyn N.; Iwanicki, Ainsley; Nalaoh, Phattananawee; Diers, James R.; Taniguchi, Masahiko; Bocian, David F.; Schlau-Cohen, Gabriela S.; Lindsey, Jonathan S.","Synthesis and characterization of 5,15-bis(hydroxymethyl)porphyrins – simple compounds distantly inspired by the chlorosomal bacteriochlorophylls","New Journal of Chemistry","2026","50","4","1990","2004","10.1039/D5NJ04118J","","x-ray","0.71073","MoKα","","0.0496","0.0442","","","0.1021","0.1046","","","","","","1.074","","","","has coordinates","304784","2026-03-04","22:02:23",""
"7064318","10.5276","0.0011","11.5823","0.0012","10.782","0.0012","90","","95.162","0.003","90","","1309.4","0.2","296","2","296.15","","","","","","","","","7","P 1 21 1","P 2yb","4","","N-(6-iodo-1,1,7-trimethyldecahydro-3a,7-methanocyclopenta[8]annulen-3-yl)-N'-((4-(trifluoromethyl)phenyl)sulfonyl)acetimidamide","","- C24 H32 F3 I N2 O2 S -","- C24 H32 F3 I N2 O2 S -","- C48 H64 F6 I2 N4 O4 S2 -","2","1","","Moskalik, Mikhail Yu.; Garagan, Ivan A.; Myasnikova, Valentina S.; Borodina, Tatyana N.; Shainyan, Bagrat A.","Skeletal rearrangements and structures of halosulfonamidation products of caryophyllene","New Journal of Chemistry","2026","50","4","1935","1942","10.1039/D5NJ03976B","","","0.71073","MoKα","","0.0578","0.0436","","","0.1122","0.1204","","","","","","1.034","","","","has coordinates","304785","2026-03-04","22:02:52",""
"7064319","7.2852","0.0009","16.239","0.002","18.497","0.003","90","","90","","90","","2188.3","0.5","296","2","296.15","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","N-(9-iodo-4,4,8-trimethyltricyclo[6.3.1.0^2,5]dodecan-1-yl)-N'-((trifluoromethyl)sulfonyl)acetimidamide","","- C18 H28 F3 I N2 O2 S -","- C18 H28 F3 I N2 O2 S -","- C72 H112 F12 I4 N8 O8 S4 -","4","1","","Moskalik, Mikhail Yu.; Garagan, Ivan A.; Myasnikova, Valentina S.; Borodina, Tatyana N.; Shainyan, Bagrat A.","Skeletal rearrangements and structures of halosulfonamidation products of caryophyllene","New Journal of Chemistry","2026","50","4","1935","1942","10.1039/D5NJ03976B","","","0.71073","MoKα","","0.0692","0.0321","","","0.0741","0.0801","","","","","","0.991","","","","has coordinates","304785","2026-03-04","22:02:52",""
"7064320","7.3387","0.0005","8.9043","0.0006","32.227","0.002","90","","90","","90","","2105.9","0.2","296","2","296.15","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","N-(6-bromo-1,1,7-trimethyldecahydro-3a,7-methanocyclopenta[8]annulen-3-yl)-N'-((trifluoromethyl)sulfonyl)acetimidamide","","- C18 H28 Br F3 N2 O2 S -","- C18 H28 Br F3 N2 O2 S -","- C72 H112 Br4 F12 N8 O8 S4 -","4","1","","Moskalik, Mikhail Yu.; Garagan, Ivan A.; Myasnikova, Valentina S.; Borodina, Tatyana N.; Shainyan, Bagrat A.","Skeletal rearrangements and structures of halosulfonamidation products of caryophyllene","New Journal of Chemistry","2026","50","4","1935","1942","10.1039/D5NJ03976B","","","1.54178","CuKα","","0.0307","0.029","","","0.0712","0.0722","","","","","","1.063","","","","has coordinates","304785","2026-03-04","22:02:52",""
"7064321","10.3167","0.0013","10.7257","0.0014","11.5944","0.0014","90.113","0.004","93.196","0.004","93.055","0.004","1279.1","0.3","296","2","296.15","","","","","","","","","7","P 1","P 1","1","","N-(6-bromo-1,1,7-trimethyldecahydro-3a,7-methanocyclopenta[8]annulen-3-yl)-N'-((4-(trifluoromethyl)phenyl)sulfonyl)acetimidamide","","- C24 H32 Br F3 N2 O2 S -","- C24 H32 Br F3 N2 O2 S -","- C48 H64 Br2 F6 N4 O4 S2 -","2","2","","Moskalik, Mikhail Yu.; Garagan, Ivan A.; Myasnikova, Valentina S.; Borodina, Tatyana N.; Shainyan, Bagrat A.","Skeletal rearrangements and structures of halosulfonamidation products of caryophyllene","New Journal of Chemistry","2026","50","4","1935","1942","10.1039/D5NJ03976B","","","0.71073","MoKα","","0.0961","0.0555","","","0.1371","0.1505","","","","","","1.048","","","","has coordinates","304785","2026-03-04","22:02:52",""
"7064322","7.2188","0.001","15.8711","0.0018","18.129","0.003","90","","98.025","0.005","90","","2056.7","0.5","296","2","296.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","N-(9-iodo-4,4,8-trimethyltricyclo[6.3.1.0^2,5]dodecan-1-yl)-N'- (methylsulfonyl)acetimidamide","","- C18 H31 I N2 O2 S -","- C18 H31 I N2 O2 S -","- C72 H124 I4 N8 O8 S4 -","4","2","","Moskalik, Mikhail Yu.; Garagan, Ivan A.; Myasnikova, Valentina S.; Borodina, Tatyana N.; Shainyan, Bagrat A.","Skeletal rearrangements and structures of halosulfonamidation products of caryophyllene","New Journal of Chemistry","2026","50","4","1935","1942","10.1039/D5NJ03976B","","","0.71073","MoKα","","0.1359","0.0455","","","0.0894","0.1004","","","","","","1.048","","","","has coordinates","304785","2026-03-04","22:02:53",""
"7064323","7.4384","0.0003","15.5722","0.0006","29.4061","0.0011","90","","90","","90","","3406.2","0.2","100","2","100","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C36 H28 Cl2 N6 O7 Re2 -","- C36 H28 Cl2 N6 O7 Re2 -","- C144 H112 Cl8 N24 O28 Re8 -","4","1","","Sithole, Sibusiso A.; Mansour, Ahmed M.; Malan, Frederick P.; Manikandan, Gurusamy; Katerere, David R.; Shehab, Ola R.; Manicum, Amanda-Lee E.","Structural and antimicrobial studies on a tricarbonyl rhenium(i) complex with the 6,7-dimethyl-2-(pyridin-2-yl)quinoxaline ligand","New Journal of Chemistry","2026","50","4","1844","1856","10.1039/D5NJ04125B","","","0.71073","MoKα","","0.0275","0.0272","","","0.0612","0.0613","","","","","","1.188","","","","has coordinates","304786","2026-03-04","22:03:14",""
"7064324","11.9662","0.0004","7.4448","0.0003","26.0051","0.0009","90","","90","","90","","2316.69","0.15","150","0.1","150","0.1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C15 H13 N3 -","- C15 H13 N3 -","- C120 H104 N24 -","8","1","","Sithole, Sibusiso A.; Mansour, Ahmed M.; Malan, Frederick P.; Manikandan, Gurusamy; Katerere, David R.; Shehab, Ola R.; Manicum, Amanda-Lee E.","Structural and antimicrobial studies on a tricarbonyl rhenium(i) complex with the 6,7-dimethyl-2-(pyridin-2-yl)quinoxaline ligand","New Journal of Chemistry","2026","50","4","1844","1856","10.1039/D5NJ04125B","","x-ray","0.71073","MoKα","","0.0499","0.0406","","","0.1159","0.1222","","","","","","1.049","","","","has coordinates","304786","2026-03-04","22:03:15",""
"7064325","5.385","0.0006","10.5397","0.0009","14.0749","0.0014","87.615","0.007","82.484","0.009","78.659","0.008","776.41","0.14","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","(Z)-3-(butylamino)-4,4,4-trifluoro-1-(2-hydroxy-5-nitrophenyl)but-2-en-1-one","","- C14 H15 F3 N2 O4 -","- C14 H15 F3 N2 O4 -","- C28 H30 F6 N4 O8 -","2","1","","Jios, Eliana; Salvador Vallejo, Lorena E.; Echeverría, Gustavo A.; Piro, Oscar E.; Jios, Jorge L.; Naso, Luciana G.; Ulic, Sonia E.","Hydrogen bonding and charge transfer in trifluoromethylated β-aminoenones: a combined experimental and theoretical study","New Journal of Chemistry","2026","50","4","1809","1823","10.1039/D5NJ04291G","","x-ray","0.71073","MoKα","","0.1587","0.078","","","0.2149","0.2887","","","","","","1.034","","","","has coordinates","304787","2026-03-04","22:03:31",""
"7064326","5.0511","0.0003","15.3395","0.0007","14.7473","0.0011","90","","94.606","0.007","90","","1138.95","0.12","293","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(2Z)-3-amino-4,4,4-trifluoro-1-(2-hidroxy-5-nitrophenyl)but-2-en-1-one","","- C10 H7 F3 N2 O4 -","- C10 H7 F3 N2 O4 -","- C40 H28 F12 N8 O16 -","4","1","","Jios, Eliana; Salvador Vallejo, Lorena E.; Echeverría, Gustavo A.; Piro, Oscar E.; Jios, Jorge L.; Naso, Luciana G.; Ulic, Sonia E.","Hydrogen bonding and charge transfer in trifluoromethylated β-aminoenones: a combined experimental and theoretical study","New Journal of Chemistry","2026","50","4","1809","1823","10.1039/D5NJ04291G","","x-ray","0.71073","MoKα","","0.0938","0.0607","","","0.1612","0.1884","","","","","","1.035","","","","has coordinates","304787","2026-03-04","22:03:31",""
"7064327","9.211","0.0001","8.0189","0.0001","29.0172","0.0002","90","","93.288","0.001","90","","2139.74","0.04","293","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 Mo N2 O8 S -","- C19 H22 Mo N2 O8 S -","- C76 H88 Mo4 N8 O32 S4 -","4","1","","Nafisa,; Rana, Lata; Mahiya, Kuldeep","Catalytic oxidation of tetralin by dioxomolybdenum complexes: design, synthesis, characterization and DFT investigations","New Journal of Chemistry","2026","50","2","798","809","10.1039/D5NJ04083C","","x-ray","1.54184","CuKα","","0.0284","0.0246","","","0.0634","0.0654","","","","","","1.06","","","","has coordinates","304788","2026-03-04","22:04:29",""
"7064328","8.574","0.0001","16.4334","0.0001","14.3946","0.0001","90","","93.908","0.001","90","","2023.48","0.03","293","","293","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 Mo N2 O7 S -","- C18 H20 Mo N2 O7 S -","- C72 H80 Mo4 N8 O28 S4 -","4","1","","Nafisa,; Rana, Lata; Mahiya, Kuldeep","Catalytic oxidation of tetralin by dioxomolybdenum complexes: design, synthesis, characterization and DFT investigations","New Journal of Chemistry","2026","50","2","798","809","10.1039/D5NJ04083C","","x-ray","1.54184","CuKα","","0.0229","0.0214","","","0.0571","0.0579","","","","","","1.048","","","","has coordinates,has disorder","304788","2026-03-04","22:04:29",""
"7064329","8.4494","0.0002","11.4162","0.0003","12.3491","0.0003","65.537","0.002","79.809","0.002","83.735","0.002","1066.3","0.05","293","","293","","","","","","","","","7","P -1","-P 1","2","","","","- C18 H19 Cl Mo N2 O7 S -","- C18 H19 Cl Mo N2 O7 S -","- C36 H38 Cl2 Mo2 N4 O14 S2 -","2","1","","Nafisa,; Rana, Lata; Mahiya, Kuldeep","Catalytic oxidation of tetralin by dioxomolybdenum complexes: design, synthesis, characterization and DFT investigations","New Journal of Chemistry","2026","50","2","798","809","10.1039/D5NJ04083C","","x-ray","1.54184","CuKα","","0.0302","0.0291","","","0.0783","0.0793","","","","","","1.053","","","","has coordinates","304788","2026-03-04","22:04:30",""
"7064330","9","0.004","11.709","0.006","13.983","0.007","111.08","0.02","90.57","0.03","105.13","0.02","1318.4","1.1","110","","110","","","","","","","","","7","P -1","-P 1","2","","","","- C27 H24 Cl2 N2 O2 Pt S -","- C27 H24 Cl2 N2 O2 Pt S -","- C54 H48 Cl4 N4 O4 Pt2 S2 -","2","1","","İrişli, Sevil; Doğan, Umut; Günnaz, Salih; Yurt, Fatma; Şahin, Onur","Novel Schiff base-Pt(ii) complexes: inhibition of Aβ aggregation via histidine interaction","New Journal of Chemistry","2026","50","2","1125","1138","10.1039/D5NJ04180E","","","0.71073","MoKα","","0.0806","0.052","","","0.1066","0.1171","","","","","","1.063","","","","has coordinates","304789","2026-03-04","22:04:44",""
"7064331","8.4878","0.0008","11.0977","0.0011","11.1379","0.0011","111.827","0.003","109.312","0.003","93.968","0.003","896.74","0.16","273","","273","","","","","","","","","7","P -1","-P 1","2","","","","- C15 H18 Cl N5 O2 Pd S -","- C15 H18 Cl N5 O2 Pd S -","- C30 H36 Cl2 N10 O4 Pd2 S2 -","2","1","","Nandhini, S.; Dharani, S.; Mugesh, B.; Prabusankar, G.; Mohanapriya, S.; Shankar, R.; Prabhakaran, R.","Bromoamination of α,β-unsaturated keto alkenes by palladium(ii) metalallocycles: experimental and theoretical approaches","New Journal of Chemistry","2026","50","3","1602","1612","10.1039/D5NJ02138C","","","0.71073","MoKα","","0.0553","0.0355","","","0.0798","0.0876","","","","","","1.0319","","","","has coordinates","304790","2026-03-04","22:07:58",""
"7064332","7.5069","0.0008","12.9454","0.0014","12.9847","0.0014","61.465","0.003","88.838","0.004","85.449","0.004","1104.8","0.2","273","2","273.15","","","","","","","","","7","P -1","-P 1","2","","","","- C21 H21 Cl N5 O2 Pd S -","- C21 H21 Cl N5 O2 Pd S -","- C42 H42 Cl2 N10 O4 Pd2 S2 -","2","1","","Nandhini, S.; Dharani, S.; Mugesh, B.; Prabusankar, G.; Mohanapriya, S.; Shankar, R.; Prabhakaran, R.","Bromoamination of α,β-unsaturated keto alkenes by palladium(ii) metalallocycles: experimental and theoretical approaches","New Journal of Chemistry","2026","50","3","1602","1612","10.1039/D5NJ02138C","","","0.71073","MoKα","","0.098","0.0871","","","0.2998","0.3094","","","","","","1.0377","","","","has coordinates","304790","2026-03-04","22:07:59",""
"7064333","8.6492","0.0003","10.9746","0.0004","11.5173","0.0004","69.71","0.001","68.738","0.001","89.247","0.001","947.64","0.06","273","","273","","","","","","","","","7","P -1","-P 1","2","","","","- C16 H20 Cl N5 O2 Pd S -","- C16 H20 Cl N5 O2 Pd S -","- C32 H40 Cl2 N10 O4 Pd2 S2 -","2","1","","Nandhini, S.; Dharani, S.; Mugesh, B.; Prabusankar, G.; Mohanapriya, S.; Shankar, R.; Prabhakaran, R.","Bromoamination of α,β-unsaturated keto alkenes by palladium(ii) metalallocycles: experimental and theoretical approaches","New Journal of Chemistry","2026","50","3","1602","1612","10.1039/D5NJ02138C","","","0.71073","MoKα","","0.0301","0.0253","","","0.0656","0.0683","","","","","","1.0563","","","","has coordinates","304790","2026-03-04","22:07:59",""
"7064334","11.1748","0.0008","8.1368","0.0004","18.37","0.0013","90","","107.57","0.007","90","","1592.41","0.19","100","0.1","100","0.1","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C15 H20 Co N3 O3 S -","- C15 H20 Co N3 O3 S -","- C60 H80 Co4 N12 O12 S4 -","4","1","","Malik, Suvamoy; Jana, Narayan Ch.; Saren, Shibnath; Saha, Amrita","Chelate ligand-driven structural diversity and modeling studies on the phenoxazinone synthase-like activity of cobalt(iii) complexes","New Journal of Chemistry","2026","50","13","5669","5678","10.1039/D5NJ05015D","","","0.71073","MoKα","","0.0439","0.0353","","","0.0903","0.0952","","","","","","1.052","","","","has coordinates","305419","2026-04-05","12:22:57",""
"7064335","12.0785","0.0005","14.3615","0.0005","14.9258","0.0006","90","","103.188","0.004","90","","2520.83","0.17","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H28 Co N3 O5 S -","- C25 H28 Co N3 O5 S -","- C100 H112 Co4 N12 O20 S4 -","4","1","","Malik, Suvamoy; Jana, Narayan Ch.; Saren, Shibnath; Saha, Amrita","Chelate ligand-driven structural diversity and modeling studies on the phenoxazinone synthase-like activity of cobalt(iii) complexes","New Journal of Chemistry","2026","50","13","5669","5678","10.1039/D5NJ05015D","","","0.71073","MoKα","","0.1673","0.1041","","","0.2069","0.2435","","","","","","1.122","","","","has coordinates","305419","2026-04-05","12:22:57",""
"7064336","13.3857","0.0004","13.408","0.0003","15.7779","0.0004","90","","90","","90","","2831.75","0.13","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","30%Mn:C6H14N2O?CdBr4","","- C4 H10.67 Br2.67 Cd0.55 Mn0.12 N1.33 O0.67 -","- C4 H10.6667 Br2.66667 Cd0.546667 Mn0.12 N1.33333 O0.666667 -","- C48 H128 Br32 Cd6.56 Mn1.44 N16 O8 -","12","1.5","","Li, Jinwei; Jin, Yuling; Xu, Zhihuang; Ye, Liwang; Wu, Diwei; Yan, Kailun; Zhuang, Xinxin","Mn(ii)-doped zero-dimensional hybrid Cd bromide with efficient green emission","New Journal of Chemistry","2026","50","15","6367","6371","10.1039/D6NJ00543H","","x-ray","1.54184","CuKα","","0.0439","0.0354","","","0.0939","0.1003","","","","","","1.033","","","","has coordinates,has disorder","305842","2026-05-05","09:29:50",""
"7064337","13.3903","0.0002","13.4096","0.0002","15.8024","0.0002","90","","90","","90","","2837.46","0.07","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","C6H14N2O?CdBr4","","- C4 H10.67 Br2.67 Cd0.67 N1.33 O0.67 -","- C4 H10.6667 Br2.66667 Cd0.666667 N1.33333 O0.666667 -","- C48 H128 Br32 Cd8 N16 O8 -","12","1.5","","Li, Jinwei; Jin, Yuling; Xu, Zhihuang; Ye, Liwang; Wu, Diwei; Yan, Kailun; Zhuang, Xinxin","Mn(ii)-doped zero-dimensional hybrid Cd bromide with efficient green emission","New Journal of Chemistry","2026","50","15","6367","6371","10.1039/D6NJ00543H","","x-ray","1.54184","CuKα","","0.0334","0.029","","","0.0752","0.0785","","","","","","1.044","","","","has coordinates","305842","2026-05-05","09:29:50",""
"7064338","11.422","0.0018","13.846","0.002","23.515","0.004","90","","94.321","0.005","90","","3708.3","1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H35 Co N6 O11 -","- C39 H35 Co N6 O11 -","- C156 H140 Co4 N24 O44 -","4","1","","Sun, Yi-Lian; Wan, Jia-Qi; He, Ying; Lv, Bin; Zhou, Shi-Yu; Li, Si-Tong; Liu, Yu; Li, Wen-Ze; Luan, Jian; Zhang, Xiao-Sa","Cobalt-based metal–organic framework derived Co/CoO@C under moderate temperature for improving the performance of photocatalytic degradation of organic pollutants","New Journal of Chemistry","2026","50","15","6280","6288","10.1039/D5NJ03932K","","","0.71073","MoKα","","0.0811","0.046","","","0.1122","0.1303","","","","","","1.011","","","","has coordinates,has disorder","305841","2026-05-05","09:29:47",""
"7064339","7.4167","0.0002","11.8025","0.0003","13.2319","0.0004","114.554","0.001","92.49","0.001","96.267","0.001","1042.16","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H22 N4 O6 -","- C22 H22 N4 O6 -","- C44 H44 N8 O12 -","2","1","","Borth, Ketlyn Wolfart; Leal, Letícia dos Santos; Teixeira, Verônica de Carvalho; da Rocha, Grazielli; Simões, Tatiana Renata Gomes","Hybrid azine–oxamic acid molecular design: synthesis, structure, and supramolecular implications","New Journal of Chemistry","2026","50","18","7619","7634","10.1039/D5NJ04656D","","","1.54184","CuKα","","0.047","0.0382","","","0.0853","0.0905","","","","","","1.115","","","","has coordinates","306474","2026-06-05","19:28:33",""
"7064340","13.269","0.004","5.3039","0.0006","24.374","0.004","90","","105.583","0.015","90","","1652.3","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H38 N4 O10 S4 -","- C26 H38 N4 O10 S4 -","- C52 H76 N8 O20 S8 -","2","0.5","","Borth, Ketlyn Wolfart; Leal, Letícia dos Santos; Teixeira, Verônica de Carvalho; da Rocha, Grazielli; Simões, Tatiana Renata Gomes","Hybrid azine–oxamic acid molecular design: synthesis, structure, and supramolecular implications","New Journal of Chemistry","2026","50","18","7619","7634","10.1039/D5NJ04656D","","","1.54178","CuKα","","0.0334","0.0328","","","0.0878","0.0886","","","","","","1.061","","","","has coordinates","306474","2026-06-05","19:28:33",""
"7064341","11.5962","0.0002","19.0791","0.0003","13.6158","0.0002","90","","91.535","0.001","90","","3011.35","0.08","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H29 N3 O4 Sn -","- C34 H29 N3 O4 Sn -","- C136 H116 N12 O16 Sn4 -","4","1","","Das, Anisha; Nama, Debabrata; Majumder, Chinmoy; Roy, Subhadip; Singh, S. Sureshkumar; Sandham, Alka; Singh, Salam Pradeep; Roy, Manojit; Misra, Tarun Kumar","Crystallographic, topological, antidiabetic, and docking evaluation of an azo-enamine ligand and its triphenyltin(iv) coordination polymer","New Journal of Chemistry","2026","50","17","7142","7151","10.1039/D5NJ03575A","","","1.54178","CuKα","","0.0359","0.0307","","","0.071","0.0748","","","","","","1.077","","","","has coordinates","306454","2026-06-05","19:25:19",""
"7064342","4.3533","0.0003","12.7658","0.0009","26.8421","0.0018","90","","90","","90","","1491.71","0.18","298","","298","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H15 N3 O4 -","- C16 H15 N3 O4 -","- C64 H60 N12 O16 -","4","1","","Das, Anisha; Nama, Debabrata; Majumder, Chinmoy; Roy, Subhadip; Singh, S. Sureshkumar; Sandham, Alka; Singh, Salam Pradeep; Roy, Manojit; Misra, Tarun Kumar","Crystallographic, topological, antidiabetic, and docking evaluation of an azo-enamine ligand and its triphenyltin(iv) coordination polymer","New Journal of Chemistry","2026","50","17","7142","7151","10.1039/D5NJ03575A","","","0.71073","MoKα","","0.0813","0.0711","","","0.1457","0.1509","","","","","","1.086","","","","has coordinates,has disorder","306454","2026-06-05","19:25:19",""
"7064343","3.8829","0.0005","6.2026","0.0007","24.973","0.003","90","","92.208","0.004","90","","601.01","0.13","293","","293","","","","","","","","","4","P 1 n 1","P -2yac","7","","75A7","","- C16 H10 N2 O2 -","- C16 H10 N2 O2 -","- C32 H20 N4 O4 -","2","1","","Rayasingh, Amlan Ranjan; Manivannan, Vadivelu","Synthesis, structure, and catalytic- and bio-activity of some metal complexes and a coordination polymer featuring imidazo[1,5-a]pyridine and chromen[4,3-b]pyrrole-4-one","New Journal of Chemistry","2026","50","16","6746","6760","10.1039/D6NJ00431H","","x-ray","0.71073","MoKα","","0.0768","0.053","","","0.1031","0.1136","","","","","","1.135","","","","has coordinates","306464","2026-06-05","19:27:33",""
"7064344","11.346","0.004","24.735","0.008","13.365","0.005","90","","109.158","0.004","90","","3543","2","297","","297","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H26 Br2 N12 Ni O -","- C36 H24 Br2 N12 Ni -","- C144 H96 Br8 N48 Ni4 -","4","1","","Rayasingh, Amlan Ranjan; Manivannan, Vadivelu","Synthesis, structure, and catalytic- and bio-activity of some metal complexes and a coordination polymer featuring imidazo[1,5-a]pyridine and chromen[4,3-b]pyrrole-4-one","New Journal of Chemistry","2026","50","16","6746","6760","10.1039/D6NJ00431H","","","0.71073","MoKα","","0.0907","0.0578","","","0.1556","0.1779","","","","","","1.083","","","","has coordinates,has disorder","306464","2026-06-05","19:27:33",""
"7064345","9.8198","0.0019","11.4573","0.0015","13.2236","0.0017","90","","90","","90","","1487.8","0.4","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","107_2","","- C18 H12 Br N3 -","- C18 H12 Br N3 -","- C72 H48 Br4 N12 -","4","1","","Rayasingh, Amlan Ranjan; Manivannan, Vadivelu","Synthesis, structure, and catalytic- and bio-activity of some metal complexes and a coordination polymer featuring imidazo[1,5-a]pyridine and chromen[4,3-b]pyrrole-4-one","New Journal of Chemistry","2026","50","16","6746","6760","10.1039/D6NJ00431H","","x-ray","0.71073","MoKα","","0.1108","0.0711","","","0.1575","0.1793","","","","","","1.007","","","","has coordinates","306464","2026-06-05","19:27:33",""
"7064346","26.286","0.002","11.0439","0.0009","15.2328","0.0013","90","","118.195","0.002","90","","3897.4","0.6","297","","297","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C19.5 H15.5 Br Cl2 N3.5 O0.5 Pd -","- C18 H12 Br Cl2 N3 Pd -","- C144 H96 Br8 Cl16 N24 Pd8 -","8","1","","Rayasingh, Amlan Ranjan; Manivannan, Vadivelu","Synthesis, structure, and catalytic- and bio-activity of some metal complexes and a coordination polymer featuring imidazo[1,5-a]pyridine and chromen[4,3-b]pyrrole-4-one","New Journal of Chemistry","2026","50","16","6746","6760","10.1039/D6NJ00431H","","x-ray","0.71073","MoKα","","0.0929","0.0662","","","0.1096","0.1199","","","","","","1.16","","","","has coordinates","306464","2026-06-05","19:27:33",""
"7064347","11.2189","0.0017","12.5312","0.0019","14.612","0.002","94.067","0.005","109.34","0.004","102.568","0.004","1868.9","0.5","295","","295","","","","","","","","","7","P -1","-P 1","2","","","","- C36 H30 Br2 Cl2 N6 Ni O3 -","- C36 H30 Br2 Cl2 N6 Ni O3 -","- C72 H60 Br4 Cl4 N12 Ni2 O6 -","2","1","","Rayasingh, Amlan Ranjan; Manivannan, Vadivelu","Synthesis, structure, and catalytic- and bio-activity of some metal complexes and a coordination polymer featuring imidazo[1,5-a]pyridine and chromen[4,3-b]pyrrole-4-one","New Journal of Chemistry","2026","50","16","6746","6760","10.1039/D6NJ00431H","","x-ray","0.71073","MoKα","","0.1932","0.0999","","","0.269","0.3506","","","","","","1.066","","","","has coordinates,has disorder","306464","2026-06-05","19:27:33",""
"7064348","18.832","0.003","8.2583","0.0009","18.462","0.003","90","","118.054","0.019","90","","2533.9","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","75A7Cu","","- C32 H18 Cu N4 O4 -","- C32 H18 Cu N4 O4 -","- C128 H72 Cu4 N16 O16 -","4","1","","Rayasingh, Amlan Ranjan; Manivannan, Vadivelu","Synthesis, structure, and catalytic- and bio-activity of some metal complexes and a coordination polymer featuring imidazo[1,5-a]pyridine and chromen[4,3-b]pyrrole-4-one","New Journal of Chemistry","2026","50","16","6746","6760","10.1039/D6NJ00431H","","x-ray","0.71073","MoKα","","0.1845","0.0887","","","0.1615","0.2158","","","","","","0.983","","","","has coordinates,has disorder","306464","2026-06-05","19:27:33",""
"7064349","11.1681","0.0011","12.8349","0.0012","14.5183","0.0014","70.117","0.003","77.736","0.003","85.953","0.003","1912.4","0.3","297","","297","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H34 Br4 Cu N6 O5 -","- C36 H24 Br4 Cu N6 -","- C72 H48 Br8 Cu2 N12 -","2","1","","Rayasingh, Amlan Ranjan; Manivannan, Vadivelu","Synthesis, structure, and catalytic- and bio-activity of some metal complexes and a coordination polymer featuring imidazo[1,5-a]pyridine and chromen[4,3-b]pyrrole-4-one","New Journal of Chemistry","2026","50","16","6746","6760","10.1039/D6NJ00431H","","","0.71073","MoKα","","0.0992","0.0647","","","0.1789","0.2255","","","","","","1.086","","","","has coordinates,has disorder","306464","2026-06-05","19:27:33",""
"7064350","11.074","0.0009","12.8377","0.001","14.4872","0.0012","69.906","0.002","76.732","0.002","85.853","0.002","1882.5","0.3","297","","297","","","","","","","","","7","P -1","-P 1","2","","","","- C36 H34 Br2 Cl2 Cu N6 O5 -","- C36 H24 Br2 Cl2 Cu N6 -","- C72 H48 Br4 Cl4 Cu2 N12 -","2","1","","Rayasingh, Amlan Ranjan; Manivannan, Vadivelu","Synthesis, structure, and catalytic- and bio-activity of some metal complexes and a coordination polymer featuring imidazo[1,5-a]pyridine and chromen[4,3-b]pyrrole-4-one","New Journal of Chemistry","2026","50","16","6746","6760","10.1039/D6NJ00431H","","","0.71073","MoKα","","0.1244","0.0877","","","0.2407","0.3112","","","","","","1.148","","","","has coordinates,has disorder","306464","2026-06-05","19:27:33",""
"7064351","17.2559","0.0006","11.6096","0.0003","18.5736","0.0007","90","","107.44","0.004","90","","3549.9","0.2","293","","293","2","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","75A7Ni","","- C38 H36 N6 Ni O8 -","- C38 H36 N6 Ni O8 -","- C152 H144 N24 Ni4 O32 -","4","0.5","","Rayasingh, Amlan Ranjan; Manivannan, Vadivelu","Synthesis, structure, and catalytic- and bio-activity of some metal complexes and a coordination polymer featuring imidazo[1,5-a]pyridine and chromen[4,3-b]pyrrole-4-one","New Journal of Chemistry","2026","50","16","6746","6760","10.1039/D6NJ00431H","","","0.71073","MoKα","","0.0487","0.0405","","","0.1154","0.1297","","","","","","1.095","","","","has coordinates","306464","2026-06-05","19:27:33",""
"7064352","25.7953","0.0009","11.0716","0.0004","14.8496","0.0005","90","","116.095","0.001","90","","3808.7","0.2","295","","295","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H12 Br Cl2 N3 Pt -","- C18 H12 Br Cl2 N3 Pt -","- C144 H96 Br8 Cl16 N24 Pt8 -","8","1","","Rayasingh, Amlan Ranjan; Manivannan, Vadivelu","Synthesis, structure, and catalytic- and bio-activity of some metal complexes and a coordination polymer featuring imidazo[1,5-a]pyridine and chromen[4,3-b]pyrrole-4-one","New Journal of Chemistry","2026","50","16","6746","6760","10.1039/D6NJ00431H","","x-ray","0.71073","MoKα","","0.0436","0.031","","","0.0607","0.0682","","","","","","1.094","","","","has coordinates","306464","2026-06-05","19:27:33",""
"7064353","10.7057","0.0006","11.2188","0.0005","12.7019","0.0006","68.128","0.005","69.582","0.005","62.805","0.005","1229.41","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","75A7Pd","","- C32 H18 N4 O4 Pd -","- C32 H18 N4 O4 Pd -","- C64 H36 N8 O8 Pd2 -","2","1","","Rayasingh, Amlan Ranjan; Manivannan, Vadivelu","Synthesis, structure, and catalytic- and bio-activity of some metal complexes and a coordination polymer featuring imidazo[1,5-a]pyridine and chromen[4,3-b]pyrrole-4-one","New Journal of Chemistry","2026","50","16","6746","6760","10.1039/D6NJ00431H","","x-ray","0.71073","MoKα","","0.071","0.0585","","","0.1576","0.1663","","","","","","1.097","","","","has coordinates","306464","2026-06-05","19:27:33",""
"7064354","13.76","0.005","14.324","0.005","22.444","0.008","80.129","0.011","82.246","0.011","75.657","0.011","4202","3","296","","296","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H26 N4 O6 Pt -","- C32 H18 N4 O4 Pt -","- C192 H108 N24 O24 Pt6 -","6","3","","Rayasingh, Amlan Ranjan; Manivannan, Vadivelu","Synthesis, structure, and catalytic- and bio-activity of some metal complexes and a coordination polymer featuring imidazo[1,5-a]pyridine and chromen[4,3-b]pyrrole-4-one","New Journal of Chemistry","2026","50","16","6746","6760","10.1039/D6NJ00431H","","","0.71073","MoKα","","0.1325","0.0727","","","0.1073","0.1301","","","","","","1.107","","","","has coordinates","306464","2026-06-05","19:27:33",""
"7064355","9.403","0.0001","10.1164","0.0001","13.0455","0.0001","83.04","","69.069","0.001","69.003","0.001","1082.06","0.02","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","4-phenylpyrazole-dibenzofuran 6a","","- C30 H20 N4 O -","- C30 H20 N4 O -","- C60 H40 N8 O2 -","2","1","","Kumari, Sonu; Biswas, Nupur; Thirumoorthi, Ramalingam; Roy, Bibhisan; Rajagopala Reddy, S.; Bhanuchandra, M.","4-Arylpyrazole-decorated dibenzofuran: synthesis, characterization, optical studies and computational analysis","New Journal of Chemistry","2026","50","17","7196","7208","10.1039/D6NJ00832A","","","1.54184","CuKα","","0.0333","0.0329","","","0.0807","0.0809","","","","","","1.038","","","","has coordinates","306455","2026-06-05","19:25:21",""
"7064356","9.3763","0.0006","11.8162","0.0007","13.2214","0.0009","97.863","0.005","105.578","0.006","97.842","0.005","1374.54","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","N'-(2-trifluoroacetylcyclopent-1-enyl)benzohydrazide","bezoylhydrazone 2-trifluoroacetylsiklopentanone","","- C14 H13 F3 N2 O2 -","- C14 H13 F3 N2 O2 -","- C56 H52 F12 N8 O8 -","4","2","","Panova, Elizaveta V.; Ganiev, Bakhtiyor Sh.; Avezov, Kuvondik G.; Umarov, Bako B.; Voronina, Julia K.; Safin, Damir A.","Synthesis and structural elucidation of a trifluoromethylated cyclopentene hydrazone: a combined X-ray and computational study","New Journal of Chemistry","2026","50","17","7490","7504","10.1039/D6NJ00632A","","","1.54184","CuKα","","0.1134","0.0634","","","0.1614","0.2008","","","","","","1.033","","","","has coordinates,has disorder","306457","2026-06-05","19:25:31",""
"7064357","8.215","0.00017","18.6047","0.0003","10.3154","0.00018","90","","110.984","0.002","90","","1472.02","0.05","295.53","0.1","295.53","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H12 I N O Se -","- C15 H12 I N O Se -","- C60 H48 I4 N4 O4 Se4 -","4","1","","Yue, Yikun; Zhang, Yixin; Li, Weijie; Lu, Zhande; Jin, Yiyang; Hu, Botao; Yang, Lu","Catalyst-free direct C–H selenoxylation of (hetero)arenes","New Journal of Chemistry","2026","50","15","6243","6247","10.1039/D6NJ00684A","","x-ray","1.54184","CuKα","","0.0811","0.0798","","","0.1987","0.2014","","","","","","1.077","","","","has coordinates","305843","2026-05-05","09:30:03",""
"7064358","6.9714","0.0004","10.8737","0.0007","14.1939","0.0008","90","","90","","90","","1075.97","0.11","120","","120","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C3 H11 B10 N S -","- C3 H11 B10 N S -","- C12 H44 B40 N4 S4 -","4","1","","Alpatova, Victoria M.; Rys, Evgeny G.; Smol’yakov, Alexander F.; Kononova, Elena G.; Ol'shevskaya, Valentina A.","Carborane isothiocyanates: synthesis, characterization and conjugation with N-nucleophiles","New Journal of Chemistry","2026","50","14","6197","6204","10.1039/D6NJ00718J","","","0.71073","MoKα","","0.0315","0.0291","","","0.078","0.0789","","","","","","1.08","","","","has coordinates","305840","2026-05-05","09:29:38",""
"7064359","7.6763","0.0003","23.3782","0.0009","10.193","0.0004","90","","92.084","0.002","90","","1828.01","0.12","120","","120","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C9 H24 B10 N2 O3 S -","- C9 H24 B10 N2 O3 S -","- C36 H96 B40 N8 O12 S4 -","4","2","","Alpatova, Victoria M.; Rys, Evgeny G.; Smol’yakov, Alexander F.; Kononova, Elena G.; Ol'shevskaya, Valentina A.","Carborane isothiocyanates: synthesis, characterization and conjugation with N-nucleophiles","New Journal of Chemistry","2026","50","14","6197","6204","10.1039/D6NJ00718J","","","0.71073","MoKα","","0.0408","0.0365","","","0.0946","0.0964","","","","","","1.067","","","","has coordinates","305840","2026-05-05","09:29:38",""
"7064360","15.4827","0.0006","7.5722","0.0003","21.84","0.0008","90","","94.311","0.002","90","","2553.24","0.17","120","","120","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C5 H15 B10 N S -","- C5 H15 B10 N S -","- C40 H120 B80 N8 S8 -","8","2","","Alpatova, Victoria M.; Rys, Evgeny G.; Smol’yakov, Alexander F.; Kononova, Elena G.; Ol'shevskaya, Valentina A.","Carborane isothiocyanates: synthesis, characterization and conjugation with N-nucleophiles","New Journal of Chemistry","2026","50","14","6197","6204","10.1039/D6NJ00718J","","","0.71073","MoKα","","0.0561","0.038","","","0.1175","0.1248","","","","","","1.123","","","","has coordinates","305840","2026-05-05","09:29:38",""
"7064361","22.317","0.005","22.317","0.005","11.022","0.004","90","","90","","90","","5489","3","300","2","300","","","","","","","","","5","I -4","I -4","82","","","","- C32 H28.85 N3 O2.2 S2 -","- C32 H28.447 N3 O2 S2 -","- C256 H227.576 N24 O16 S16 -","8","1","","Ajaydev, Rameshbabu; Joy, Wilson; Krishnan, Aravind; Shanmugam, Sivakumar","Stereoselective one-pot synthesis of spiro-indenoquinoxaline–pyrrolidine hybrids: structural elucidation and biological evaluation","New Journal of Chemistry","2026","50","20","8573","8580","10.1039/D6NJ00925E","","","0.71073","MoKα","","0.1238","0.0648","","","0.1644","0.2367","","","","","","1.162","","","","has coordinates,has disorder","306465","2026-06-05","19:27:38",""
"7064362","9.3753","0.0005","9.3753","0.0005","9.3753","0.0005","90","","90","","90","","824.05","0.08","473","2","473","2","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C18 H36 Cl0.33 I6.67 N3 Pt -","- C22.08 Cl0.56 I6.44 Pt -","- C22.08 Cl0.56 I6.44 Pt -","1","0.0208333","","Zhou, Wen; Shi, Chao; Xu, Liang; Wang, Ze-Jie; Wang, Na; Liao, Rong-Meng; An, Zhen; Ye, Heng-Yun; Miao, Le-Ping","A hybrid metal–halide antiperovskite semiconductor ferroelectric","New Journal of Chemistry","2026","50","17","7432","7437","10.1039/D6NJ00529B","","","0.71073","MoKα","","0.104","0.0602","","","0.1585","0.1835","","","","","","0.887","","","","has coordinates","306459","2026-06-05","19:25:51",""
"7064363","9.33719","0.00018","9.33719","0.00018","37.1328","0.0012","90","","90","","90","","3237.35","0.14","413","2","413","2","","","","","","","","6","P 41","P 4w","76","","","","- C18 H36 Cl0.32 I6.68 N3 Pt -","- C18 H36 Cl0.33 I6.67 N3 Pt -","- C72 H144 Cl1.32 I26.68 N12 Pt4 -","4","1","","Zhou, Wen; Shi, Chao; Xu, Liang; Wang, Ze-Jie; Wang, Na; Liao, Rong-Meng; An, Zhen; Ye, Heng-Yun; Miao, Le-Ping","A hybrid metal–halide antiperovskite semiconductor ferroelectric","New Journal of Chemistry","2026","50","17","7432","7437","10.1039/D6NJ00529B","","","0.71073","MoKα","","0.092","0.0674","","","0.2035","0.2157","","","","","","1.083","","","","has coordinates","306459","2026-06-05","19:25:51",""
"7064364","12.9639","0.0005","13.3992","0.0007","18.308","","90","0.003","91.96","","90","","3178.3","0.2","298","2","298","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C18 H36 Cl0.32 I6.57 N3 Pt -","- C18 H36 Cl0.324 I6.676 N3 Pt -","- C72 H144 Cl1.296 I26.704 N12 Pt4 -","4","1","","Zhou, Wen; Shi, Chao; Xu, Liang; Wang, Ze-Jie; Wang, Na; Liao, Rong-Meng; An, Zhen; Ye, Heng-Yun; Miao, Le-Ping","A hybrid metal–halide antiperovskite semiconductor ferroelectric","New Journal of Chemistry","2026","50","17","7432","7437","10.1039/D6NJ00529B","","","0.71073","MoKα","","0.0649","0.0441","","","0.1057","0.1129","","","","","","1.038","","","","has coordinates","306459","2026-06-05","19:25:51",""
"7064365","11.219","0.0009","14.2559","0.0013","18.0089","0.0014","103.156","0.002","98.473","0.002","90.14","0.002","2772.1","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H60 Cl2 N2 O15 -","- C52 H60 Cl2 N2 O15 -","- C104 H120 Cl4 N4 O30 -","2","1","","Zhu, Xin-Ru; Li, Ze; Sun, Dan; Elmidaoui, Roudaina; Dai, Meng-Xuan; Zhao, Zhi-Long; Chen, Xiang-Zhu; Jiang, Fei; Liu, Lu","Novel palmatine hydrochloride–phenolic acid cocrystals: effects of different phenolic acids on hygroscopicity improvement and antibacterial activity enhancement","New Journal of Chemistry","2026","50","18","7647","7657","10.1039/D5NJ04579G","","","0.71073","MoKα","","0.1444","0.0707","","","0.159","0.1999","","","","","","1.018","","","","has coordinates","306473","2026-06-05","19:28:25",""
"7064366","10.8962","0.0008","15.0725","0.0011","15.0474","0.0011","104.598","0.002","92.94","0.002","93.154","0.002","2382.4","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H29 Cl N O7.5 -","- C25 H29 Cl N O7.5 -","- C100 H116 Cl4 N4 O30 -","4","2","","Zhu, Xin-Ru; Li, Ze; Sun, Dan; Elmidaoui, Roudaina; Dai, Meng-Xuan; Zhao, Zhi-Long; Chen, Xiang-Zhu; Jiang, Fei; Liu, Lu","Novel palmatine hydrochloride–phenolic acid cocrystals: effects of different phenolic acids on hygroscopicity improvement and antibacterial activity enhancement","New Journal of Chemistry","2026","50","18","7647","7657","10.1039/D5NJ04579G","","","0.71073","MoKα","","0.2312","0.0888","","","0.1773","0.2455","","","","","","1.007","","","","has coordinates","306473","2026-06-05","19:28:25",""
"7064367","9.261","0.0011","22.228","0.002","10.4259","0.0013","90","","110.918","0.014","90","","2004.8","0.4","293","2","293","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C41 H37 F6 N2 O P3 Ru -","- C41 H37 F6 N2 O P3 Ru -","- C82 H74 F12 N4 O2 P6 Ru2 -","2","0.5","","Sharma, Sahil; Pandey, Pradeep Kumar; Trivedi, Manoj; Rath, Nigam P.; Sharma, Raj Kishore","Catalytic hydrogenation of carbon dioxide to methanol by homogenous ruthenium(ii) hydrido carbonyl complexes","New Journal of Chemistry","2026","50","13","5679","5686","10.1039/D6NJ00102E","","","0.71073","MoKα","","0.0774","0.0736","","","0.1855","0.1882","","","","","","1.228","","","","has coordinates,has disorder","305271","2026-04-05","03:10:31",""
"7064368","7.284","0.0002","18.1468","0.0005","12.2852","0.0003","90","","102.552","0.002","90","","1585.06","0.07","296","","296","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 Br Cu N5 O -","- C16 H12 Br Cu N5 O -","- C64 H48 Br4 Cu4 N20 O4 -","4","1","","Dhar, Aditi; Biswas, Sneha; Barman, Nandini; Naskar, Pappu; Chowdhury, Tania; Banerjee, Anjan; Das, Debasis","Designing of Fe3O4-supported reduced graphene oxide-based 1-D copper(ii) polymeric materials: a comparative study on high-performance supercapacitive behaviour","New Journal of Chemistry","2026","50","11","4839","4851","10.1039/D5NJ02462E","","x-ray","0.71073","MoKα","","0.0646","0.0369","","","0.0683","0.0743","","","","","","1.034","","","","has coordinates","305272","2026-04-05","03:10:40",""
"7064369","18.357","0.01","11.122","0.005","16.532","0.007","90","","90","","90","","3375","3","160","2","160","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C31 H44 Cl Co2 N5 O7 -","- C31 H44 Cl Co2 N5 O7 -","- C124 H176 Cl4 Co8 N20 O28 -","4","1","","Pramanik, Abhishek; Majumder, Samit; Hazra, Susanta; Mohanta, Sasankasekhar","Transmetalated synthesis of homodinuclear MnII and CoII complexes containing Robson type macrocyclic ligands: crystal structure, magnetic investigation and DFT calculations","New Journal of Chemistry","2026","50","20","8802","8813","10.1039/D5NJ04703J","","","0.71073","MoKα","","0.0755","0.0505","","","0.1281","0.157","","","","","","1.097","","","","has coordinates","306469","2026-06-05","19:27:55",""
"7064370","9.7907","0.0006","11.778","0.0007","13.208","0.0008","90","","110.505","0.002","90","","1426.58","0.15","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H34 Cl2 Mn2 N4 O2 -","- C28 H34 Cl2 Mn2 N4 O2 -","- C56 H68 Cl4 Mn4 N8 O4 -","2","0.5","","Pramanik, Abhishek; Majumder, Samit; Hazra, Susanta; Mohanta, Sasankasekhar","Transmetalated synthesis of homodinuclear MnII and CoII complexes containing Robson type macrocyclic ligands: crystal structure, magnetic investigation and DFT calculations","New Journal of Chemistry","2026","50","20","8802","8813","10.1039/D5NJ04703J","","","0.71073","MoKα","","0.0466","0.0309","","","0.0668","0.0725","","","","","","1.025","","","","has coordinates","306469","2026-06-05","19:27:55",""
"7064371","9.9821","0.0006","9.5637","0.0006","30.9166","0.0019","90","","92.524","0.003","90","","2948.6","0.3","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H25 N2 O11 -","- C34 H25 N2 O11 -","- C136 H100 N8 O44 -","4","1","","Li, Li; Liu, Chun-Jie; Guo, Hang-Hang; Zhang, Ning-Ning; Wang, Hong-Li","Multi-functional applications of a metal-free viologen supramolecular compound: UV detection, amine sensing, and ink-free printing","New Journal of Chemistry","2026","50","16","6898","6903","10.1039/D6NJ00792A","","","0.71073","MoKα","","0.1091","0.0929","","","0.2344","0.2443","","","","","","1.099","","","","has coordinates,has disorder","305838","2026-05-05","09:29:00",""
"7064372","5.9257","0.0003","16.5073","0.0009","24.362","0.0012","90","","91.913","0.001","90","","2381.7","0.2","293.15","","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H22 Br O2 S2 -","- C27 H22 Br O2 S2 -","- C108 H88 Br4 O8 S8 -","4","1","","Xu, Jiefang; Fan, Haoqun; Cao, Feng; Yang, Xiaohu; Huang, Chunyan","Photo-induced tandem cyclization of alkynes with sodium sulfinates to access sulfonated exocyclic alkenes","New Journal of Chemistry","2026","50","17","7515","7519","10.1039/D6NJ00474A","","","0.71073","MoKα","","0.0866","0.0449","","","0.0955","0.1136","","","","","","1.023","","","","has coordinates,has disorder","306458","2026-06-05","19:25:43",""
"7064373","11.3775","0.0006","11.5862","0.0007","25.9327","0.0006","91.335","0.003","99.372","0.003","118.66","0.006","2939.3","0.3","296.15","0.1","296.15","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C50 H56 B20 O4 -","- C50 H56 B20 O4 -","- C100 H112 B40 O8 -","2","1","","Chen, Wenlong; Yuan, Shuai; Lin, Caixia; Yuan, Yaofeng","An o-carborane-based naphthalene macrocyclic arene: dual-state emission and C60 recognition","New Journal of Chemistry","2026","50","16","6989","6995","10.1039/D6NJ00521G","","x-ray","1.54184","CuKα","","0.1853","0.1054","","","0.2927","0.3545","","","","","","1.046","","","","has coordinates","305837","2026-05-05","09:28:56",""
"7064374","9.148","0.0002","17.3159","0.0003","18.9994","0.0004","105.491","0.002","102.728","0.002","90.995","0.002","2819.7","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C2.74 H1.43 Cu0.06 N0.23 O0.46 -","- C2.74286 H1.42857 Cu0.0571429 N0.228571 O0.457143 -","- C96 H50 Cu2 N8 O16 -","35","17.5","","Wang, Taihe; Zou, Chengling; Li, Yu; Mu, Yuxin; Wei, Jiale; Chen, Chao; Zhang, Yan; Li, Haijian; Yi, Jianhua; Ma, Haixia; Zhao, Fengqi","Characterizing the decomposition of CL-20 catalyzed by hydrophobic porphyrin MOFs","New Journal of Chemistry","2026","50","17","7236","7246","10.1039/D6NJ00288A","","","0.71073","MoKα","","0.1325","0.105","","","0.3144","0.3403","","","","","","1.091","","","","has coordinates","306460","2026-06-05","19:26:15",""
"7064375","17.0826","0.0002","18.5694","0.0003","19.5561","0.0003","104.992","0.001","90.269","0.001","103.557","0.001","5811.23","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C2.9 H1.97 Cu0.05 N0.27 O0.52 -","- C2.90411 H1.9726 Cu0.0547945 N0.273973 O0.520548 -","- C212 H144 Cu4 N20 O38 -","73","36.5","","Wang, Taihe; Zou, Chengling; Li, Yu; Mu, Yuxin; Wei, Jiale; Chen, Chao; Zhang, Yan; Li, Haijian; Yi, Jianhua; Ma, Haixia; Zhao, Fengqi","Characterizing the decomposition of CL-20 catalyzed by hydrophobic porphyrin MOFs","New Journal of Chemistry","2026","50","17","7236","7246","10.1039/D6NJ00288A","","","0.71073","MoKα","","0.0887","0.0588","","","0.1741","0.1943","","","","","","1.086","","","","has coordinates","306460","2026-06-05","19:26:15",""
"7064376","18.973","0.0003","19.4512","0.0002","25.4299","0.0004","74.131","0.001","88.579","0.001","70.066","0.001","8462","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C2.72 H1.45 Cu0.06 N0.23 O0.45 -","- C2.71698 H1.45283 Cu0.0566038 N0.226415 O0.45283 -","- C288 H154 Cu6 N24 O48 -","106","53","","Wang, Taihe; Zou, Chengling; Li, Yu; Mu, Yuxin; Wei, Jiale; Chen, Chao; Zhang, Yan; Li, Haijian; Yi, Jianhua; Ma, Haixia; Zhao, Fengqi","Characterizing the decomposition of CL-20 catalyzed by hydrophobic porphyrin MOFs","New Journal of Chemistry","2026","50","17","7236","7246","10.1039/D6NJ00288A","","","0.71073","MoKα","","0.0969","0.0771","","","0.2212","0.2383","","","","","","1.041","","","","has coordinates","306460","2026-06-05","19:26:15",""
"7064377","12.3289","0.0005","11.9065","0.0004","12.6831","0.0004","90","","105.699","0.001","90","","1792.35","0.11","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 Mo N2 O9 -","- C16 H18 Mo N2 O9 -","- C64 H72 Mo4 N8 O36 -","4","1","","Dheeraj,; Rana, Lata; Mahiya, Kuldeep","Synthesis of reduced graphene oxide-based catalytic complexes for benzylamine–o-phenylenediamine oxidative coupling","New Journal of Chemistry","2026","50","17","7247","7258","10.1039/D6NJ01022A","","","0.71073","MoKα","","0.0251","0.0238","","","0.0657","0.0667","","","","","","1.088","","","","has coordinates","306453","2026-06-05","19:25:08",""
"7064378","12.2318","0.0009","6.9036","0.0005","23.6607","0.0018","90","","92.445","0.002","90","","1996.2","0.3","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H22 Mo N2 O11 -","- C17 H22 Mo N2 O11 -","- C68 H88 Mo4 N8 O44 -","4","1","","Dheeraj,; Rana, Lata; Mahiya, Kuldeep","Synthesis of reduced graphene oxide-based catalytic complexes for benzylamine–o-phenylenediamine oxidative coupling","New Journal of Chemistry","2026","50","17","7247","7258","10.1039/D6NJ01022A","","","0.71073","MoKα","","0.0603","0.0419","","","0.0946","0.1011","","","","","","1.041","","","","has coordinates","306453","2026-06-05","19:25:08",""
"7064379","10.069","0.0009","10.0652","0.0011","26.246","0.003","90","","90","","90","","2659.9","0.5","298","2","298","2","","","","","","","","3","P b c 21","P 2c -2b","29","","","","- C36 H24 N6 -","- C36 H24 N6 -","- C144 H96 N24 -","4","1","","Calvache, Edward; Pastrana-Dávila, Andrea; Rengifo, Emerson; Macias, Mario; Rojas, Oscar; Pentlehner, Dominik; Arteaga, Danny; D’Vries, Richard","Exploring the intriguing world of terpyridines: synthesis, structural, optical, and theoretical insights into bis(p-phenyl-2,2′:6′,2″)terpyridine","New Journal of Chemistry","2026","50","19","8270","8280","10.1039/D6NJ01158F","","x-ray","1.54184","CuKα","","0.0591","0.0544","","","0.1471","0.1572","","","","","","1.065","","","","has coordinates","306462","2026-06-05","19:26:47",""
"7064380","17.1285","0.0014","4.0509","0.0003","22.319","0.0018","90","","106.564","0.002","90","","1484.4","0.2","298","2","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 Cl O3 S2 -","- C15 H11 Cl O3 S2 -","- C60 H44 Cl4 O12 S8 -","4","1","","Kumar, Devendra; Ali, Ahmad; Sood, Mehak; Bharatam, Prasad V.; Khan, Abu Taleb","Reactivity study of 4-hydroxydithiocoumarin/4-hydroxythiocoumarin with vinyl ether/cyclic vinyl ether: synthesis of fused novel thiophene derivatives using CuO nanoparticles","New Journal of Chemistry","2026","50","17","7438","7447","10.1039/D6NJ00650G","","","0.71073","MoKα","","0.047","0.0409","","","0.0892","0.0935","","","","","","1.122","","","","has coordinates","306456","2026-06-05","19:25:24",""
"7064381","7.4957","0.0004","7.5172","0.0004","13.7183","0.0007","91.097","0.002","90.856","0.001","101.684","0.002","756.69","0.07","299","2","299","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H13 F O3 S2 -","- C16 H13 F O3 S2 -","- C32 H26 F2 O6 S4 -","2","1","","Kumar, Devendra; Ali, Ahmad; Sood, Mehak; Bharatam, Prasad V.; Khan, Abu Taleb","Reactivity study of 4-hydroxydithiocoumarin/4-hydroxythiocoumarin with vinyl ether/cyclic vinyl ether: synthesis of fused novel thiophene derivatives using CuO nanoparticles","New Journal of Chemistry","2026","50","17","7438","7447","10.1039/D6NJ00650G","","","0.71073","MoKα","","0.0472","0.0384","","","0.0914","0.0989","","","","","","1.069","","","","has coordinates","306456","2026-06-05","19:25:24",""
"7064382","8.4269","0.0008","10.2708","0.0011","10.7625","0.0012","112.254","0.004","110.239","0.004","97.809","0.004","769.74","0.15","293","2","293","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H17 N O4 -","- C18 H17 N O4 -","- C36 H34 N2 O8 -","2","1","","Gou, Yan; Wang, Jing; Li, Na; Hou, Shanling; Cheng, Yang; Li, Yuming","DBU-mediated [3+2] annulation of 3-hydroxyisoindolinones with vinylsulfonium salts: an efficient approach to functionalized oxazolo[2,3-a]isoindolones","New Journal of Chemistry","2026","50","18","7609","7613","10.1039/D6NJ00608F","","","0.71073","MoKα","","0.0714","0.0487","","","0.1353","0.1604","","","","","","0.751","","","","has coordinates","306472","2026-06-05","19:28:22",""
"7064383","18.236","0.003","9.023","0.0019","13.095","0.004","90","","128.825","0.004","90","","1678.6","0.7","293","","293","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C22 H17 N O2 -","- C22 H17 N O2 -","- C88 H68 N4 O8 -","4","0.5","","Gou, Yan; Wang, Jing; Li, Na; Hou, Shanling; Cheng, Yang; Li, Yuming","DBU-mediated [3+2] annulation of 3-hydroxyisoindolinones with vinylsulfonium salts: an efficient approach to functionalized oxazolo[2,3-a]isoindolones","New Journal of Chemistry","2026","50","18","7609","7613","10.1039/D6NJ00608F","","x-ray","0.71073","MoKα","","0.0862","0.0533","","","0.1169","0.1344","","","","","","1.086","","","","has coordinates,has disorder","306472","2026-06-05","19:28:22",""
"7064384","7.5973","0.0006","8.5961","0.0008","11.7834","0.0011","71.346","0.008","88.56","0.007","83.085","0.007","723.74","0.12","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H16 N2 O3 -","- C17 H16 N2 O3 -","- C34 H32 N4 O6 -","2","1","","Lyngkhoi, Deikrisha Lyngdoh; Baruah, Khanindram; Patra, Sumit Kumar; Khatua, Snehadrinarayan","A seven-membered heterocycle containing – coumarin-based probe for selective detection of chemical warfare agent phosgene in solution and the gas phase","New Journal of Chemistry","2026","50","19","8498","8509","10.1039/D6NJ00818F","","","0.71073","MoKα","","0.0693","0.049","","","0.113","0.1238","","","","","","1.026","","","","has coordinates","306463","2026-06-05","19:26:54",""
"7064385","11.1966","0.0004","11.5477","0.0004","16.5303","0.0005","94.721","0.001","90.624","0.001","106.15","0.001","2044.7","0.12","296","","296","","","","","","","","","7","P -1","-P 1","2","","","","- C43 H33 Au2 Cl2 N3 O2 P2 -","- C43 H33 Au2 Cl2 N3 O2 P2 -","- C86 H66 Au4 Cl4 N6 O4 P4 -","2","1","","Caltagirone, Claudia; Lippolis, Vito; Olmos, Maria Elena; Coconubo, Laura; Moreno, Sonia; Picci, Giacomo; Monge, Miguel; López-de-Luzuriaga, José Maria","Structural and computational evidence of rare synergic N(amide)H•••Au(I) and N(amidate)•••Au(I) secondary bonding interactions","New Journal of Chemistry","2026","","","","","10.1039/D6NJ00558F","","","0.71073","MoKα","","0.0282","0.0205","","","0.0413","0.0443","","","","","","1.0447","","","","has coordinates","305615","2026-04-24","04:57:51",""
"7064386","13.623","0.0005","13.1182","0.0005","25.113","0.001","90","","99.363","0.001","90","","4428.1","0.3","298","","298","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C43 H33 Au Cl N3 O2 P2 -","- C43 H33 Au Cl N3 O2 P2 -","- C172 H132 Au4 Cl4 N12 O8 P8 -","4","1","","Caltagirone, Claudia; Lippolis, Vito; Olmos, Maria Elena; Coconubo, Laura; Moreno, Sonia; Picci, Giacomo; Monge, Miguel; López-de-Luzuriaga, José Maria","Structural and computational evidence of rare synergic N(amide)H•••Au(I) and N(amidate)•••Au(I) secondary bonding interactions","New Journal of Chemistry","2026","","","","","10.1039/D6NJ00558F","","","0.71073","MoKα","","0.0581","0.0395","","","0.0919","0.1","","","","","","0.9975","","","","has coordinates","305615","2026-04-24","04:57:51",""
"7064387","8.7243","0.0003","13.6695","0.0004","13.6886","0.0005","85.014","0.003","79.917","0.003","87.367","0.003","1600.38","0.09","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C34 H36 Cl N4 Ni O7.5 -","- C34 H36 Cl N4 Ni O7.5 -","- C68 H72 Cl2 N8 Ni2 O15 -","2","1","","Devaraj , Karthickram; Bhuvanesh, Nattamai; Sundaravel, Karuppasamy","Nickel(II)-Flavonolate Complexes of Tetradentate 4N Donor Ligands as Enzyme-Substrate Models of Quercetin-2,4-Dioxygenase: Role of Ligand Steric and Electronic Properties on Dioxygenolysis","New Journal of Chemistry","2026","","","","","10.1039/D6NJ00257A","","x-ray","1.54184","CuKα","","0.0781","0.0697","","","0.1689","0.1768","","","","","","1.118","","","","has coordinates","305650","2026-04-29","00:35:00",""
"7064388","9.6334","0.0001","30.008","0.0002","12.0379","0.0001","90","","105.934","0.001","90","","3346.2","0.05","100","0.1","100","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C34 H33 Br2 Cl N4 Ni O7 -","- C34 H33 Br2 Cl N4 Ni O7 -","- C136 H132 Br8 Cl4 N16 Ni4 O28 -","4","1","","Devaraj , Karthickram; Bhuvanesh, Nattamai; Sundaravel, Karuppasamy","Nickel(II)-Flavonolate Complexes of Tetradentate 4N Donor Ligands as Enzyme-Substrate Models of Quercetin-2,4-Dioxygenase: Role of Ligand Steric and Electronic Properties on Dioxygenolysis","New Journal of Chemistry","2026","","","","","10.1039/D6NJ00257A","","x-ray","1.54184","CuKα","","0.0665","0.0653","","","0.1585","0.1592","","","","","","1.054","","","","has coordinates,has disorder","305650","2026-04-29","00:35:00",""
"7064389","9.6511","0.0001","29.7064","0.0003","12.0379","0.0001","90","","105.978","0.001","90","","3317.93","0.06","100.6","1","100.6","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H39 Cl N4 Ni O7 -","- C36 H39 Cl N4 Ni O7 -","- C144 H156 Cl4 N16 Ni4 O28 -","4","1","","Devaraj , Karthickram; Bhuvanesh, Nattamai; Sundaravel, Karuppasamy","Nickel(II)-Flavonolate Complexes of Tetradentate 4N Donor Ligands as Enzyme-Substrate Models of Quercetin-2,4-Dioxygenase: Role of Ligand Steric and Electronic Properties on Dioxygenolysis","New Journal of Chemistry","2026","","","","","10.1039/D6NJ00257A","","x-ray","1.54184","CuKα","","0.0422","0.0413","","","0.1018","0.1023","","","","","","1.108","","","","has coordinates,has disorder","305650","2026-04-29","00:35:00",""
"7064390","9.3443","0.0003","28.4146","0.0009","13.5911","0.0005","90","","108.335","0.0007","90","","3425.4","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H46 F3 O5 P S -","- C34 H46 F3 O5 P S -","- C136 H184 F12 O20 P4 S4 -","4","1","","Pashirova, Tatiana N.; Titov, Evgenii A.; Nemtarev, Andrey V.; Lyubina, Anna P.; Shaihutdinova, Zukhra M.; Dimukhametov, Mudaris N.; Salnikov, Vadim V.; Fayzullin, Robert R.; Mursalova, Yuliya V.; Ryzhkina, Irina S.; Voloshina, Alexandra D.; Mironov, Vladimir F.","Mitochondria-targeted liposomes decorated by amphiphilic 2-hydroxypropylphosphonium salts for hyperthermia-induced release and antitumor application","New Journal of Chemistry","2026","50","19","8102","8111","10.1039/D5NJ05017K","","x-ray","0.71073","MoKα","","0.0494","0.0366","","","0.0903","0.0976","","","","","","1.047","","","","has coordinates","306461","2026-06-05","19:26:44",""
"7064391","8.5875","0.001","10.6673","0.001","11.4787","0.0014","78.905","0.004","85.544","0.004","85.215","0.004","1026.2","0.2","302","","302","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H24 N2 O4 S2 -","- C18 H24 N2 O4 S2 -","- C36 H48 N4 O8 S4 -","2","1","","Liu, Shuai; Liu, Yu-Tao; Liu, Jiahui; Chen, Zihao; Ding, Yue; Wu, Qiong; Zhang, Tian-Shu; Ding, Weijie","H2O-controlled selective disulfide etherification and thiocyanation of pyrroles via linear paired electrolysis","New Journal of Chemistry","2026","50","20","8727","8732","10.1039/D6NJ00883F","","","0.71073","MoKα","","0.048","0.04","","","0.1145","0.1223","","","","","","1.074","","","","has coordinates","306470","2026-06-05","19:28:11",""
"7064392","15.3505","0.001","11.933","0.0007","10.5063","0.0007","90","","107.988","0.007","90","","1830.4","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 Cl2 N2 Zn -","- C19 H22 Cl2 N2 Zn -","- C76 H88 Cl8 N8 Zn4 -","4","1","","MAHAPATRA, ALAKANANDA; Adak, Piyali; Chattopadhyay, Shyamal Kumar","Solid-State Fluorescence Sensing of Amine Vapours by an Anthracene based Zn(II) Complex, its Phosphatase Activity and Theoretical Calculations","New Journal of Chemistry","2026","","","","","10.1039/D6NJ00629A","","x-ray","1.54184","CuKα","","0.0272","0.0255","","","0.0674","0.0685","","","","","","1.1","","","","has coordinates","305664","2026-04-30","00:30:03",""
"7064393","19.9418","0.0011","8.6405","0.0003","11.5476","0.0005","90","","104.228","0.006","90","","1928.7","0.16","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H20 N6 O4 -","- C20 H20 N6 O4 -","- C80 H80 N24 O16 -","4","0.5","","Adhikari, Suman; Nath, Sourav; Saha, Koushik; Baildya, Nabajyoti; Kaminsky, Werner; Kumar, Malavika S.; Roy, Subhadip; Das, Avijit Kumar","A turn-on bis-hydrazone fluorescent chemosensor for selective Cd2+ detection: synthesis, structural insights, and theoretical validation","New Journal of Chemistry","2026","50","20","8639","8645","10.1039/D6NJ00362A","","x-ray","0.71073","MoKα","","0.0878","0.0488","","","0.1125","0.1311","","","","","","1.071","","","","has coordinates","306468","2026-06-05","19:27:52",""
"7064394","12.77135","0.00006","14.8337","0.00007","9.99137","0.00005","90","","103.147","0.0004","90","","1843.22","0.016","100","0.3","100","0.3","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C22 H17 N3 O2 S -","- C22 H17 N3 O2 S -","- C88 H68 N12 O8 S4 -","4","1","","Shepelenko, Konstantin E.; Gnatiuk, Irina G.; Kolotova, Uliana A.; Minyaev, Mikhayl E.; Chernyshev, Victor M.","Sustainable ruthenium-catalyzed C–H alkylation of 2-(hetero)aryl benzimidazoles with maleimides","New Journal of Chemistry","2026","50","20","8550","8554","10.1039/D6NJ00299D","","x-ray","1.54184","CuKα","","0.0234","0.0233","","","0.0606","0.0606","","","","","","1.037","","","","has coordinates","306467","2026-06-05","19:27:44",""
"7064395","9.40197","0.00015","9.52044","0.00013","12.31548","0.00018","90","","110.156","0.0017","90","","1034.86","0.03","100","0.2","100","0.2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H23 N3 O3 -","- C26 H23 N3 O3 -","- C52 H46 N6 O6 -","2","1","","Shepelenko, Konstantin E.; Gnatiuk, Irina G.; Kolotova, Uliana A.; Minyaev, Mikhayl E.; Chernyshev, Victor M.","Sustainable ruthenium-catalyzed C–H alkylation of 2-(hetero)aryl benzimidazoles with maleimides","New Journal of Chemistry","2026","50","20","8550","8554","10.1039/D6NJ00299D","","x-ray","1.54184","CuKα","","0.0364","0.0362","","","0.1028","0.1032","","","","","","1.064","","","","has coordinates","306467","2026-06-05","19:27:44",""
"7064396","8.9884","0.0004","11.021","0.0004","14.027","0.0005","110.534","0.001","104.021","0.001","95.898","0.001","1235.23","0.08","300","2","300","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H27 N3 O -","- C32 H27 N3 O -","- C64 H54 N6 O2 -","2","1","","Hariharan, Selvaraj; Muthusamy, Sengodagounder","A visible light-promoted C–H insertion reaction of diazoamides with 1,3-diketones","New Journal of Chemistry","2026","50","20","8784","8789","10.1039/D5NJ04942C","","","0.71073","MoKα","","0.0676","0.0475","","","0.1258","0.1466","","","","","","0.894","","","","has coordinates","306466","2026-06-05","19:27:42",""
"7064397","11.0524","0.0009","13.2206","0.001","15.5292","0.0013","89.481","0.003","89.181","0.003","74.888","0.003","2190.4","0.3","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H48 N12 O27 Sm2 -","- C24 H48 N12 O27 Sm2 -","- C48 H96 N24 O54 Sm4 -","2","1","","Hariharan, Selvaraj; Muthusamy, Sengodagounder","A visible light-promoted C–H insertion reaction of diazoamides with 1,3-diketones","New Journal of Chemistry","2026","50","20","8784","8789","10.1039/D5NJ04942C","","","0.71073","MoKα","","0.0248","0.0207","","","0.049","0.0512","","","","","","1.069","","","","has coordinates","306466","2026-06-05","19:27:42",""
"7064398","11.9646","0.001","16.0861","0.0012","16.6355","0.0015","74.568","0.007","78.164","0.008","79.707","0.007","2994.4","0.4","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H32 N3 Ni O3 P -","- C34 H32 N3 Ni O3 P -","- C136 H128 N12 Ni4 O12 P4 -","4","2","","Kavin, Sekar Pranesh; Ramesh, Rengan","Direct access to 2-amino-3-cyano-4H-pyrans/4H-chromenes by [ONO]-pincer supported nickel(ii) phosphine complexes via dehydrogenative annulation of alcohols","New Journal of Chemistry","2026","50","21","9245","9251","10.1039/D6NJ01107A","","x-ray","0.71073","MoKα","","0.2361","0.1453","","","0.3398","0.412","","","","","","1.151","","","","has coordinates","306476","2026-06-05","19:28:41",""
"7064399","5.08","0.02","16.32","0.07","13.82","0.06","90","","90.01","0.04","90","","1146","8","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C13 H10 N4 -","- C13 H10 N4 -","- C52 H40 N16 -","4","2","","Almin, Arzu; Basumatary, Devi; Konwar, Dipika; Dutta, Prajjalita; Borah, Jagat C.; Bora, Utpal","Regioselective N2-arylation of tetrazoles under CuO nanocatalysis: a route to potent anti-MRSA agents","New Journal of Chemistry","2026","50","14","6040","6047","10.1039/D5NJ04286K","","","0.71073","MoKα","","0.1715","0.0688","","","0.1277","0.1576","","","","","","1.043","","","","has coordinates","305712","2026-05-04","22:24:13",""
"7064400","15.7225","0.0002","15.8143","0.0002","30.8255","0.0004","90","","100.323","0.001","90","","7540.4","0.17","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C34 H32 Fe2 N2 S6 Zn -","- C34 H32 Fe2 N2 S6 Zn -","- C272 H256 Fe16 N16 S48 Zn8 -","8","2","","Makwana, Bhaveshkumar B.; Parmar, Heena A.; Khan, Adam N.; Padrón, José M.; Tarpada, Umesh P.","Ferrocene-functionalized dithiocarbamate complexes bearing thiophene arms: synthesis, crystal structure, electrochemical characterization, in silico interaction profiling, and apoptosis induction in HeLa cells","New Journal of Chemistry","2026","50","14","5848","5864","10.1039/D6NJ00551A","","","0.71073","MoKα","","0.0985","0.0878","","","0.2483","0.263","","","","","","1.063","","","","has coordinates","305714","2026-05-04","22:24:23",""
"7064401","16.444","0.0006","21.6279","0.0008","23.6553","0.0008","103.938","0.001","96.07","0.001","90.266","0.001","8115.6","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C74.4 H90 Dy3 N9 O21.6 -","- C74.4 H90 Dy3 N9 O21.6 -","- C297.6 H360 Dy12 N36 O86.4 -","4","2","","Pramanik, Abhishek; Mandal, Shuvankar; Borgohain, Parismita; Martins, Daniel O. T. A.; Sparkes, Hazel A.; Tuna, Floriana; Singh, Saurabh Kumar; Mohanta, Sasankasekhar","Experimental and theoretical insights into two tri- and tetranuclear DyIII SMMs reveal the unusual superiority of triangular dodecahedral DyIII over square antiprismatic DyIII as an SIM centre","New Journal of Chemistry","2026","50","15","6330","6346","10.1039/D6NJ00729E","","","0.71073","MoKα","","0.0521","0.0384","","","0.092","0.1014","","","","","","1.091","","","","has coordinates,has disorder","305715","2026-05-04","22:24:43",""
"7064402","12.87","0.002","15.06","0.003","18.148","0.003","90","","102.123","0.002","90","","3439","1","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C66 H66 Dy4 N8 O22 -","- C66 H66 Dy4 N8 O22 -","- C132 H132 Dy8 N16 O44 -","2","0.5","","Pramanik, Abhishek; Mandal, Shuvankar; Borgohain, Parismita; Martins, Daniel O. T. A.; Sparkes, Hazel A.; Tuna, Floriana; Singh, Saurabh Kumar; Mohanta, Sasankasekhar","Experimental and theoretical insights into two tri- and tetranuclear DyIII SMMs reveal the unusual superiority of triangular dodecahedral DyIII over square antiprismatic DyIII as an SIM centre","New Journal of Chemistry","2026","50","15","6330","6346","10.1039/D6NJ00729E","","","0.71073","MoKα","","0.0654","0.0413","","","0.0953","0.1098","","","","","","1.012","","","","has coordinates","305715","2026-05-04","22:24:43",""
"7064403","8.311","0.0002","16.9374","0.0004","8.916","0.0002","90","","103.736","0.001","90","","1219.18","0.05","273.15","","273.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H14 O2 -","- C15 H14 O2 -","- C60 H56 O8 -","4","1","","Yang, Xiaoning; Wu, Shuyan; Wang, Jiayi; Peng, Yanqing; Song, Gonghua","Facile and direct synthesis of 1-phenyl-substituted β-benzofused oxygen heterocycles from benzoxaboroles and salicylaldehydes under amine catalysis","New Journal of Chemistry","2026","50","21","8962","8968","10.1039/D6NJ01557C","","x-ray","1.54178","CuKα","","0.0482","0.0458","","","0.1169","0.119","","","","","","1.074","","","","has coordinates","306475","2026-06-05","19:28:38",""
"7064404","14.369","0.0004","9.8569","0.0003","11.8471","0.0006","90","","126.062","0.001","90","","1356.42","0.09","109.85","","110","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C16 H11 N3 O0 S -","- C16 H11 N3 S -","- C64 H44 N12 S4 -","4","1","","Kumar, Parveen; Mishra, Anurag; Kumar, Gourav; ., Baldev; Bhatia, Prisha; Jayadev, Sri krishna Magani; Nemiwal, Meena","Sustainably Driven ZnO Nanocatalytic Paradigm for Assembling Novel Bis-Heteroaryl Indole Frameworks: Robust Cytotoxic Profiling against HCT116 and MCF-7 Cells","New Journal of Chemistry","2026","","","","","10.1039/D6NJ00348F","","x-ray","0.71073","MoKα","","0.0307","0.0304","","","0.0846","0.0848","","","","","","1.081","","","","has coordinates","305903","2026-05-09","00:55:36",""
"7064405","17.867","0.0004","6.0433","0.0001","21.7935","0.0004","90","","96.539","0.002","90","","2337.86","0.08","150","2","150","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C28 H25 N O4 S -","- C28 H25 N O4 S -","- C112 H100 N4 O16 S4 -","4","1","","Dai, Tao; Li, Renfu; Wu, Tong; Wang, Xia; Wang, Xinli; Zhang, Weiwei; Chen, Xueyuan; Chen, Zhuo; Xie, Lijun","Facile transformation of rofecoxib into a novel near-infrared AIEgen for real-time dynamic monitoring of lipid droplets metabolism","New Journal of Chemistry","2026","","","","","10.1039/D6NJ01099G","","","1.54178","CuKα","","0.0611","0.0489","","","0.1267","0.1398","","","","","","1.02","","","","has coordinates","305916","2026-05-10","00:35:08",""
"7064406","39.366","0.01","18.683","0.005","9.677","0.002","90","","90","","90","","7117","3","193","","193","","","","","","","","","3","C m c 21","C 2c -2","36","","","","- C32 H24 N4 -","- C28.52 H20.52 N1.68 -","- C228.16 H164.16 N13.44 -","8","1","","Li, Bing-Yu; Tong, Jin; Wang, Ji; Yu, Shu-Yan","Self-Assembly of Tetraphenylethylene-Cored Metallacycles Linked by Stereo-isomerizable Ligands: Photo-induced E to Z isomerization within Supramolecular Structures","New Journal of Chemistry","2026","","","","","10.1039/D6NJ01109H","","","1.34139","GaKα","","0.1036","0.0653","","","0.19","0.2174","","","","","","1.064","","","","has coordinates,has disorder","305917","2026-05-10","00:35:23",""
"7064407","13.256","0.0009","13.9039","0.0009","19.6838","0.0013","94.852","0.003","92.025","0.003","115.062","0.003","3264.4","0.4","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C52 H38 N10 O6 Pt2 -","- C52 H38 N10 O6 Pt2 -","- C104 H76 N20 O12 Pt4 -","2","1","","Li, Bing-Yu; Tong, Jin; Wang, Ji; Yu, Shu-Yan","Self-Assembly of Tetraphenylethylene-Cored Metallacycles Linked by Stereo-isomerizable Ligands: Photo-induced E to Z isomerization within Supramolecular Structures","New Journal of Chemistry","2026","","","","","10.1039/D6NJ01109H","","","1.34139","GaKα","","0.0632","0.053","","","0.1583","0.1662","","","","","","1.077","","","","has coordinates","305917","2026-05-10","00:35:23",""
"7064408","4.5721","0.0002","15.6411","0.0007","10.7748","0.0005","90","","98.719","0.002","90","","761.63","0.06","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H4 N2 O3 S -","- C7 H4 N2 O3 S -","- C28 H16 N8 O12 S4 -","4","1","","Jebbari, Said; Omari, Mohamed; Fouad, Mohammed Riad; Mohammad-Salim, Haydar; Alaqarbeh, Marwa; Ben Ahmed, Ali; Tounsi, Abdessamad; Harrad, Mohamed Anouar","Synthesis and multiscale computational analysis of 6-nitrobenzoxazole-2-thione: electronic structure, intermolecular interactions, and predicted protease inhibition","New Journal of Chemistry","2026","50","20","8856","8867","10.1039/D6NJ00979D","","x-ray","0.71073","MoKα","","0.0359","0.0273","","","0.0759","0.0785","","","","","","1.104","","","","has coordinates","306471","2026-06-05","19:28:14",""
"7064409","9.482","0.003","21.013","0.006","14.641","0.006","90","","98.921","0.018","90","","2881.9","1.7","300","2","300","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H29 N2 O6 Tm -","- C27 H29 N2 O6 Tm -","- C108 H116 N8 O24 Tm4 -","4","1","","Buzoverov, Mikhail E.; Gavrikov, Andrey Vyacheslavovich; Babeshkin, Konstantin Andreevich; Timokhina, Elena N.; Astakhova, Tatiana Yu.; Efimov, Nikolay N.","Filling in the Gaps: the Last Unreported Mononuclear Lanthanide tris-Acethylacetonates with 1,10-Phenanthroline for Revealing Structural Trends and Studying the Dynamic Magnetic Properties","New Journal of Chemistry","2026","","","","","10.1039/D6NJ00459H","","","0.71073","MoKα","","0.0478","0.0329","","","0.059","0.0641","","","","","","1.048","","","","has coordinates","305943","2026-05-13","00:44:17",""
"7064410","9.42","0.0009","20.973","0.002","14.6628","0.0014","90","","98.81","0.003","90","","2862.7","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H29 N2 Nd O6 -","- C27 H29 N2 Nd O6 -","- C108 H116 N8 Nd4 O24 -","4","1","","Buzoverov, Mikhail E.; Gavrikov, Andrey Vyacheslavovich; Babeshkin, Konstantin Andreevich; Timokhina, Elena N.; Astakhova, Tatiana Yu.; Efimov, Nikolay N.","Filling in the Gaps: the Last Unreported Mononuclear Lanthanide tris-Acethylacetonates with 1,10-Phenanthroline for Revealing Structural Trends and Studying the Dynamic Magnetic Properties","New Journal of Chemistry","2026","","","","","10.1039/D6NJ00459H","","","0.71073","MoKα","","0.0797","0.0467","","","0.0822","0.0986","","","","","","1.083","","","","has coordinates","305943","2026-05-13","00:44:17",""
"7064411","14.2801","0.0013","6.3292","0.0006","27.955","0.002","90","","90","","90","","2526.6","0.4","298.15","","298.15","","","","","","","","","4","P c a 21","P 2c -2ac","29","","BRUKER D8 QUEST","","- C15 H10 O S2 -","- C15 H10 O S2 -","- C120 H80 O8 S16 -","8","2","","Sun, Yuhang; Wang, Junjie; Wen, Jiangwei; Qu, Xiaowen; Yang, Daoshan; Yan, Kelu","Application of various ylides in the [4+1] cycloaddition of enaminothiones and N-thioacylformamidines for constructing substituted thiophenes and thiazoles","New Journal of Chemistry","2026","","","","","10.1039/D6NJ01052K","","","0.71076","MoKα","","0.1461","0.0513","","","0.0871","0.1092","","","","","","1.036","","","","has coordinates","305977","2026-05-16","00:48:33",""
"7064412","6.2039","0.0004","10.1051","0.0006","10.3445","0.0006","90","","104.096","0.002","90","","628.98","0.07","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C2 H4 N10 -","- C2 H4 N10 -","- C8 H16 N40 -","4","1","","Li, Hao; Zu, Wen-Zhu; Fan, Xiao-Yu; Zhang, Qian; Huang, Yan","Combined Computational and Experimental Study on Designing Balanced Tetrazole-Based Energetic Materials","New Journal of Chemistry","2026","","","","","10.1039/D6NJ01039C","","","0.71073","MoKα","","0.0377","0.0337","","","0.0849","0.0882","","","","","","1.072","","","","has coordinates","306000","2026-05-20","00:40:22",""
"7064413","15.4748","0.0003","7.92606","0.00011","14.2411","0.0003","90","","113.799","0.002","90","","1598.2","0.06","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 I3 N2 Zn -","- C12 H9 I3 N2 Zn -","- C48 H36 I12 N8 Zn4 -","4","1","","Łyczko, Krzysztof; Lyczko, Monika; Bednarek, Elżbieta; Khalaj, Mehdi; Węgrzyńska, Karolina; Baraniak, Anna; Persson, Ingmar","Synthesis, structural and spectroscopic characterization of zinc(II) iodide complex with 2-[(4-iodophenyl)iminomethyl]pyridine in the solid state and solution †","New Journal of Chemistry","2026","","","","","10.1039/D6NJ01605G","","","1.54184","CuKα","","0.034","0.0322","","","0.0861","0.0882","","","","","","1.046","","","","has coordinates","306001","2026-05-20","00:40:27",""
"7064414","8.3343","0.0003","8.4136","0.0003","12.5945","0.0004","73.241","0.003","83.832","0.003","60.862","0.003","738.05","0.05","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C12 H17 Mn N5 O4 -","- C12 H17 Mn N5 O4 -","- C24 H34 Mn2 N10 O8 -","2","1","","Wani, Aabid; Bhujbal, Shivkanya Madhavrao; Mehta, Kriti; Chourasiya, Sumit S.; Kathuria, Deepika; Grützmacher, Hansjörg; Wörle, Michael; Bharatam, Prasad V.","Aminoazine-Based Unsymmetric Multidentate Ligands in Mn(II & I) Complexes and Application in Hydrophosphination Reactions","New Journal of Chemistry","2026","","","","","10.1039/D6NJ00370B","","x-ray","1.54184","CuKα","","0.0299","0.0284","","","0.0797","0.0805","","","","","","1.126","","","","has coordinates","306061","2026-05-22","00:33:39",""
"7064415","6.6289","0.0001","15.5631","0.0002","11.4839","0.0001","90","","92.257","0.001","90","","1183.83","0.03","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H11 Cl2 Mn N5 -","- C8 H11 Cl2 Mn N5 -","- C32 H44 Cl8 Mn4 N20 -","4","1","","Wani, Aabid; Bhujbal, Shivkanya Madhavrao; Mehta, Kriti; Chourasiya, Sumit S.; Kathuria, Deepika; Grützmacher, Hansjörg; Wörle, Michael; Bharatam, Prasad V.","Aminoazine-Based Unsymmetric Multidentate Ligands in Mn(II & I) Complexes and Application in Hydrophosphination Reactions","New Journal of Chemistry","2026","","","","","10.1039/D6NJ00370B","","x-ray","1.54184","CuKα","","0.0239","0.0224","","","0.0586","0.0593","","","","","","1.084","","","","has coordinates","306061","2026-05-22","00:33:39",""
"7064416","10.517","0.0001","9.9816","0.0001","14.6377","0.0001","90","","90.859","0.001","90","","1536.44","0.02","99.99","0.1","99.99","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 Br Mn N4 O3 -","- C12 H12 Br Mn N4 O3 -","- C48 H48 Br4 Mn4 N16 O12 -","4","1","","Wani, Aabid; Bhujbal, Shivkanya Madhavrao; Mehta, Kriti; Chourasiya, Sumit S.; Kathuria, Deepika; Grützmacher, Hansjörg; Wörle, Michael; Bharatam, Prasad V.","Aminoazine-Based Unsymmetric Multidentate Ligands in Mn(II & I) Complexes and Application in Hydrophosphination Reactions","New Journal of Chemistry","2026","","","","","10.1039/D6NJ00370B","","x-ray","1.54184","CuKα","","0.0237","0.023","","","0.0595","0.0598","","","","","","1.082","","","","has coordinates","306061","2026-05-22","00:33:39",""
"7064417","6.9733","0.0004","14.0305","0.001","9.5562","0.0007","90","","112.392","0.002","90","","864.47","0.1","296.15","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- F6 Na2 O4 S Sb2 -","- F6 Na2 O4 S Sb2 -","- F24 Na8 O16 S4 Sb8 -","4","1","","Wang, Jia; Zhang, Wenbin; Yang, Zhihua; Han, Shujuan; Pan, Shilie","A2Sb2SO4F6 (A = NH4+, Na+): Two Sulfate Fluoride Crystals Exhibiting Enhanced Birefringence Driven by Stereochemically Active Antimony (III)","New Journal of Chemistry","2026","","","","","10.1039/D6NJ01379A","","","0.71073","MoKα","","0.0254","0.0188","","","0.0411","0.0434","","","","","","1.076","","","","has coordinates","306089","2026-05-26","00:35:08",""
"7064418","9.9968","0.0014","5.7135","0.0007","18.886","0.003","90","","103.718","0.005","90","","1047.9","0.3","296.15","","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- F6 H8 N2 O4 S Sb2 -","- F6 H8 N2 O4 S Sb2 -","- F24 H32 N8 O16 S4 Sb8 -","4","1","","Wang, Jia; Zhang, Wenbin; Yang, Zhihua; Han, Shujuan; Pan, Shilie","A2Sb2SO4F6 (A = NH4+, Na+): Two Sulfate Fluoride Crystals Exhibiting Enhanced Birefringence Driven by Stereochemically Active Antimony (III)","New Journal of Chemistry","2026","","","","","10.1039/D6NJ01379A","","","0.71073","MoKα","","0.0219","0.0186","","","0.0453","0.0471","","","","","","1.039","","","","has coordinates","306089","2026-05-26","00:35:08",""
"7064419","7.5192","0.0002","8.8301","0.0003","13.2595","0.0004","81.2005","0.0012","77.8018","0.0012","73.6861","0.0011","821.72","0.04","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H16 N4 O4 Zn -","- C16 H16 N4 O4 Zn -","- C32 H32 N8 O8 Zn2 -","2","1","","Adimula, Vincent O.; Adekeye, Halimat O.; Oniye, Funsho A.; Adeniyi, Emmanuel O.; Owalude, Samson O.; Hosten, Eric; Ogunlaja, Adeniyi S.; Oluwafemi, Oluwatobi S.; Tella, Adedibu C.","Synthesis and DFT studies of a new Zn(ii) coordination polymer containing a paddle-wheel hetero-ligand system as a catalyst for the degradation of microplastics","New Journal of Chemistry","2026","","","","","10.1039/D6NJ01258B","","","0.71073","MoKα","","0.0443","0.0304","","","0.0608","0.0729","","","","","","1.18","","","","has coordinates","306106","2026-05-28","00:36:21",""
"7064420","8.234","0.0016","9.7895","0.0019","11.358","0.002","90","","107.528","0.007","90","","873","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H28 Br3 Cl N4 -","- C10 H28 Br3 Cl N4 -","- C20 H56 Br6 Cl2 N8 -","2","0.5","","Walha, Sandra; Hjiri, Mokhtar; Ben Ahmed, Ali","Mixed-halide engineering in a homopiperazinium hybrid salt: structural disorder description, electronic structure analysis, and bioactivity evaluation","New Journal of Chemistry","2026","","","","","10.1039/D6NJ01450J","","","0.71073","MoKα","","0.0557","0.0486","","","0.1365","0.1423","","","","","","1.096","","","","has coordinates","306107","2026-05-28","00:36:31",""
"7064421","27.3691","0.0007","27.3691","0.0007","27.3691","0.0007","90","","90","","90","","20501.3","0.9","273","2","273.15","","","","","","","","","6","I 2 3","I 2 2 3","197","","","","- C102 H108 Al4 N11 Ni2 O41 -","- C84 H45 Al4 N2 Ni2 O23 -","- C504 H270 Al24 N12 Ni12 O138 -","6","0.25","","Yan, Bo; Ji, Wen-Juan; Fan, Shucong; Pei, Wei-Wei; Liu, Gui-Fang; Wang, Bingqiang; Zhai, Quan-Guo; Fu, Yunlong","Atomic Precision Engineering of Heterometallic Hexanuclear Al/M MOFs for Supercapacitor Applications","New Journal of Chemistry","2026","","","","","10.1039/D6NJ00933F","","","0.71073","MoKα","","0.1628","0.092","","","0.2448","0.302","","","","","","1.039","","","","has coordinates,has disorder","306108","2026-05-28","00:36:47",""
"7064422","10.4743","0.0005","8.9297","0.0006","22.8106","0.0014","90","","95.447","0.002","90","","2123.9","0.2","223","","223","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H18 F2 O2 -","- C28 H18 F2 O2 -","- C112 H72 F8 O8 -","4","1","","Zhang, Mengqi; Yan, Pengze; LI, Dan; Miao, Jin-Ling; Liu, Guang-Ning; Jiang, Xuchuan; Nie, Yong","Synthesis, Photoluminescence and Stimuli-Responsive Properties of Multifluorinated Tetraphenylethylene-based Dialdehydes","New Journal of Chemistry","2026","","","","","10.1039/D6NJ01486K","","","0.71073","MoKα","","0.1001","0.0554","","","0.1316","0.1634","","","","","","1.026","","","","has coordinates,has disorder","306119","2026-05-29","02:50:58",""
"7064423","7.9013","0.0004","22.1911","0.0015","13.4108","0.0009","90","","104.17","0.002","90","","2279.9","0.2","223","2","223.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H16 F4 O2 -","- C28 H16 F4 O2 -","- C112 H64 F16 O8 -","4","1","","Zhang, Mengqi; Yan, Pengze; LI, Dan; Miao, Jin-Ling; Liu, Guang-Ning; Jiang, Xuchuan; Nie, Yong","Synthesis, Photoluminescence and Stimuli-Responsive Properties of Multifluorinated Tetraphenylethylene-based Dialdehydes","New Journal of Chemistry","2026","","","","","10.1039/D6NJ01486K","","","0.71073","MoKα","","0.0878","0.0551","","","0.1184","0.1444","","","","","","1.061","","","","has coordinates","306119","2026-05-29","02:50:58",""
"7064424","14.3102","0.0012","9.307","0.001","32.754","0.003","90","","90","","90","","4362.3","0.7","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C28 H18 F2 O2 -","- C28 H18 F2 O2 -","- C224 H144 F16 O16 -","8","2","","Zhang, Mengqi; Yan, Pengze; LI, Dan; Miao, Jin-Ling; Liu, Guang-Ning; Jiang, Xuchuan; Nie, Yong","Synthesis, Photoluminescence and Stimuli-Responsive Properties of Multifluorinated Tetraphenylethylene-based Dialdehydes","New Journal of Chemistry","2026","","","","","10.1039/D6NJ01486K","","","0.71076","MoKα","","0.1514","0.0551","","","0.0989","0.1315","","","","","","1.008","","","","has coordinates","306119","2026-05-29","02:50:58",""
"7064425","21.1302","0.0018","31.469","0.003","17.4141","0.0017","90","","90","","90","","11579.4","1.9","296.15","","296.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C57 H49 Eu2 N6 O17 -","- C54 H40 Eu2 N5 O15 -","- C432 H320 Eu16 N40 O120 -","8","1","","Quan, KaiZeng; Wang, YuMin; Qi, Meng; Xu, Peng; Gong, Hui; Wang, Yaxing; Ji, Guoxun; Yuan, Peng","A Europium-Organic Framework with Activation-Induced Open Metal Sites for Water Adsorption","New Journal of Chemistry","2026","","","","","10.1039/D6NJ00323K","","","0.71073","MoKα","","0.0798","0.0625","","","0.1195","0.1293","","","","","","1.176","","","","has coordinates","306136","2026-05-30","00:46:48",""
"7064426","11.091","0.003","11.999","0.003","23.551","0.006","91.025","0.014","103.571","0.014","109.5","0.015","2856.1","1.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H46 Eu F9 O8 P2 S3 -","- C60 H46 Eu F9 O8 P2 S3 -","- C120 H92 Eu2 F18 O16 P4 S6 -","2","1","","Quan, Biyang; Guan, Peng; Chen, Fangfang; Ye, Longfei; Yue, Zhichen; Ma, Ruize; Zeng, Huifeng","Influence of aggregation behavior of Eu (III) complexes with phosphine oxide auxiliary ligands on their photophysical properties","New Journal of Chemistry","2026","","","","","10.1039/D6NJ00642F","","","1.54178","CuKα","","0.0576","0.0547","","","0.1423","0.1473","","","","","","1.057","","","","has coordinates","306157","2026-06-02","00:32:02",""
"7064427","17.8685","0.0008","20.0947","0.0009","42.1985","0.0019","97.054","0.002","100.416","0.002","91.774","0.002","14767.4","1.2","296.15","","296.15","","","","","","","","","8","P -1","-P 1","2","","","","- C154 H208 Cu9 Mo36 N44 O183 P12 Sr2 -","- C154 H142 Cu9 Mo36 N44 O148 P12 Sr2 -","- C308 H284 Cu18 Mo72 N88 O296 P24 Sr4 -","2","1","","Zhang, Xiaoyan; Dou, Yanrui; Xu, Na; Tan, Hui; Wang, Xiuli","Unveiling the catalytic potency of copper-integrated [P6Mo18O73]n−-based complexes: structural basis and enhanced performance in selective oxidation of aromatic alcohol","New Journal of Chemistry","2026","50","17","7470","7479","10.1039/D6NJ00261G","","x-ray","0.71073","MoKα","K-L~3~","0.0834","0.0741","","","0.1972","0.2011","","","","","","1.057","","","","has coordinates,has disorder","306233","2026-06-05","04:22:45",""
"7064428","18.3207","0.0005","26.9821","0.0008","28.8827","0.0009","116.86","0.001","94.499","0.001","104.035","0.001","12061.9","0.6","296.15","","296.15","","","","","","","","","8","P -1","-P 1","2","","","","- C259 H321 Mo72 N74 Na2 O324 P24 Sr4 -","- C259 H285 Mo72 N74 Na2 O306 P24 Sr4 -","- C259 H285 Mo72 N74 Na2 O306 P24 Sr4 -","1","0.5","","Zhang, Xiaoyan; Dou, Yanrui; Xu, Na; Tan, Hui; Wang, Xiuli","Unveiling the catalytic potency of copper-integrated [P6Mo18O73]n−-based complexes: structural basis and enhanced performance in selective oxidation of aromatic alcohol","New Journal of Chemistry","2026","50","17","7470","7479","10.1039/D6NJ00261G","","x-ray","0.71073","MoKα","K-L~3~","0.0355","0.0306","","","0.0777","0.0806","","","","","","1.019","","","","has coordinates,has disorder","306233","2026-06-05","04:22:45",""
"7064429","21.1022","0.0007","7.4454","0.0003","17.2701","0.0006","90","","97.501","0.002","90","","2690.16","0.17","193","","193","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C37 H24 N2 O -","- C37 H24 N2 O -","- C148 H96 N8 O4 -","4","1","","Zhang, Zhihua; Qu, Hongmei; Li, Xia; Li, Yameng; Dai, Ruihan; Zhang, Xuesong; Pan, Wenjing","D–π–A type AIE molecules exhibiting persistent room temperature phosphorescence and delayed fluorescence through structural regulation","New Journal of Chemistry","2026","50","20","8823","8834","10.1039/D6NJ00835F","","","1.54178","CuKα","","0.0625","0.0465","","","0.1086","0.1154","","","","","","1.1","","","","has coordinates","306234","2026-06-05","04:24:01",""
"7064430","18.7211","0.0006","9.7293","0.0003","11.9442","0.0004","90","","94.533","0.001","90","","2168.75","0.12","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H20 N2 O -","- C31 H20 N2 O -","- C124 H80 N8 O4 -","4","1","","Zhang, Zhihua; Qu, Hongmei; Li, Xia; Li, Yameng; Dai, Ruihan; Zhang, Xuesong; Pan, Wenjing","D–π–A type AIE molecules exhibiting persistent room temperature phosphorescence and delayed fluorescence through structural regulation","New Journal of Chemistry","2026","50","20","8823","8834","10.1039/D6NJ00835F","","","1.54178","CuKα","","0.0412","0.0408","","","0.1005","0.1008","","","","","","1.092","","","","has coordinates","306234","2026-06-05","04:24:01",""
"7064431","12.414","0.002","10.7894","0.0018","37.137","0.007","90","","99.503","0.006","90","","4905.9","1.5","193","","193","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C35 H22 N2 O -","- C35 H22 N2 O -","- C280 H176 N16 O8 -","8","4","","Zhang, Zhihua; Qu, Hongmei; Li, Xia; Li, Yameng; Dai, Ruihan; Zhang, Xuesong; Pan, Wenjing","D–π–A type AIE molecules exhibiting persistent room temperature phosphorescence and delayed fluorescence through structural regulation","New Journal of Chemistry","2026","50","20","8823","8834","10.1039/D6NJ00835F","","x-ray","1.34139","GaKα","","0.1916","0.0931","","","0.2345","0.2978","","","","","","0.996","","","","has coordinates","306234","2026-06-05","04:24:01",""
"7064432","8.4189","0.0006","9.7283","0.0006","16.3395","0.0011","79.07","0.003","79.629","0.002","81.041","0.003","1282.2","0.15","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H26 N2 O -","- C34 H26 N2 O -","- C68 H52 N4 O2 -","2","1","","Arunkumar, S.; Kumar, George Rajendra","Regioisomers of carbazole- and triphenylamine-based D–A–D ternaries: synthesis, optical properties and colorimetric vapochromic anti-counterfeiting application","New Journal of Chemistry","2026","50","18","7706","7714","10.1039/D6NJ00809G","","","0.71073","MoKα","","0.1214","0.0804","","","0.2057","0.2231","","","","","","1.371","","","","has coordinates","306235","2026-06-05","04:24:10",""
"7064433","8.6028","","9.6724","","15.9684","","90.14","","96.18","","106.653","","1264.82","","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C68 H52 N4 O2 -","- C68 H52 N4 O2 -","- C68 H52 N4 O2 -","1","0.5","","Arunkumar, S.; Kumar, George Rajendra","Regioisomers of carbazole- and triphenylamine-based D–A–D ternaries: synthesis, optical properties and colorimetric vapochromic anti-counterfeiting application","New Journal of Chemistry","2026","50","18","7706","7714","10.1039/D6NJ00809G","","","0.71073","MoKα","","0.0606","0.051","","","0.1838","0.1968","","","","","","1.5573","","","","has coordinates","306235","2026-06-05","04:24:10",""
"7064434","8.0996","0.0005","13.5998","0.0008","40.266","0.003","90","","90","","90","","4435.4","0.5","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C27 H25 Fe N2 O P -","- C27 H25 Fe N2 O P -","- C216 H200 Fe8 N16 O8 P8 -","8","1","","Varmuzova, Vera; Cisarova, Ivana; Štěpnička, Petr","Synthesis, coordination and catalytic application of hybrid phosphinoferrocene ligands bearing imidazole N-donor groups","New Journal of Chemistry","2026","","","","","10.1039/D6NJ01330A","","","0.71073","MoKα","","0.0575","0.0551","","","0.1067","0.1076","","","","","","1.221","","","","has coordinates","306517","2026-06-06","01:00:03",""
"7064435","9.6757","0.0005","12.6023","0.0006","15.3965","0.0008","106.963","0.002","95.961","0.002","109.666","0.002","1647.88","0.15","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C29 H27 Cl8 Fe N2 O P Pd -","- C27 H25 Cl2 Fe N2 O P Pd -","- C54 H50 Cl4 Fe2 N4 O2 P2 Pd2 -","2","1","","Varmuzova, Vera; Cisarova, Ivana; Štěpnička, Petr","Synthesis, coordination and catalytic application of hybrid phosphinoferrocene ligands bearing imidazole N-donor groups","New Journal of Chemistry","2026","","","","","10.1039/D6NJ01330A","","","0.71073","MoKα","","0.0249","0.0246","","","0.0607","0.0609","","","","","","1.045","","","","has coordinates","306517","2026-06-06","01:00:03",""
"7064436","11.0062","0.0018","12.603","0.002","13.957","0.002","72.889","0.005","67.248","0.005","89.009","0.005","1696.1","0.5","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C60 H62 Cl14 Fe2 N4 O4 P2 Pd -","- C60 H62 Cl14 Fe2 N4 O4 P2 Pd -","- C60 H62 Cl14 Fe2 N4 O4 P2 Pd -","1","0.5","","Varmuzova, Vera; Cisarova, Ivana; Štěpnička, Petr","Synthesis, coordination and catalytic application of hybrid phosphinoferrocene ligands bearing imidazole N-donor groups","New Journal of Chemistry","2026","","","","","10.1039/D6NJ01330A","","","0.71073","MoKα","","0.0426","0.0411","","","0.1015","0.1024","","","","","","1.136","","","","has coordinates,has disorder","306517","2026-06-06","01:00:03",""
"7064437","11.3698","0.0006","19.8046","0.0011","24.4266","0.0015","90","","90","","90","","5500.2","0.5","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C56 H48 Cl8 Fe2 N4 O2 P2 Pd -","- C56 H48 Cl8 Fe2 N4 O2 P2 Pd -","- C224 H192 Cl32 Fe8 N16 O8 P8 Pd4 -","4","1","","Varmuzova, Vera; Cisarova, Ivana; Štěpnička, Petr","Synthesis, coordination and catalytic application of hybrid phosphinoferrocene ligands bearing imidazole N-donor groups","New Journal of Chemistry","2026","","","","","10.1039/D6NJ01330A","","","0.71073","MoKα","","0.0242","0.0225","","","0.0496","0.0504","","","","","","1.042","","","","has coordinates,has disorder","306517","2026-06-06","01:00:03",""
"7064438","10.8829","0.0004","18.4207","0.0008","16.7794","0.0006","90","","99.748","0.001","90","","3315.2","0.2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C29 H27 Cl8 Fe N2 P Pd -","- C29 H27 Cl8 Fe N2 P Pd -","- C116 H108 Cl32 Fe4 N8 P4 Pd4 -","4","1","","Varmuzova, Vera; Cisarova, Ivana; Štěpnička, Petr","Synthesis, coordination and catalytic application of hybrid phosphinoferrocene ligands bearing imidazole N-donor groups","New Journal of Chemistry","2026","","","","","10.1039/D6NJ01330A","","","0.71073","MoKα","","0.0216","0.0202","","","0.0458","0.0467","","","","","","1.103","","","","has coordinates,has disorder","306517","2026-06-06","01:00:03",""
"7064439","12.9776","0.0007","11.7527","0.0008","17.013","0.001","90","","93.273","0.002","90","","2590.6","0.3","100","2","100","2","","","","","","","","10","P 1 21/n 1","-P 2yn","14","","","","- C55 H52 B2 Cl2 F8 Fe2 N4 O2 P2 Pd -","- C55 H52 B2 Cl2 F8 Fe2 N4 O2 P2 Pd -","- C110 H104 B4 Cl4 F16 Fe4 N8 O4 P4 Pd2 -","2","0.5","","Varmuzova, Vera; Cisarova, Ivana; Štěpnička, Petr","Synthesis, coordination and catalytic application of hybrid phosphinoferrocene ligands bearing imidazole N-donor groups","New Journal of Chemistry","2026","","","","","10.1039/D6NJ01330A","","","0.71073","MoKα","","0.0323","0.0321","","","0.0774","0.0775","","","","","","1.348","","","","has coordinates,has disorder","306517","2026-06-06","01:00:03",""
"7064440","13.0202","0.001","11.5261","0.001","16.9331","0.0014","90","","93.615","0.003","90","","2536.1","0.4","100","2","100","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C55 H52 B2 Cl2 F8 Fe2 N4 P2 Pd -","- C55 H52 B2 Cl2 F8 Fe2 N4 P2 Pd -","- C110 H104 B4 Cl4 F16 Fe4 N8 P4 Pd2 -","2","0.5","","Varmuzova, Vera; Cisarova, Ivana; Štěpnička, Petr","Synthesis, coordination and catalytic application of hybrid phosphinoferrocene ligands bearing imidazole N-donor groups","New Journal of Chemistry","2026","","","","","10.1039/D6NJ01330A","","","0.71073","MoKα","","0.0241","0.0237","","","0.0634","0.0637","","","","","","1.059","","","","has coordinates,has disorder","306517","2026-06-06","01:00:03",""
"7064441","10.7209","0.001","12.6673","0.0012","12.677","0.0013","88.981","0.004","67.262","0.003","81.7","0.003","1569.8","0.3","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C72 H68 N4 Nd2 O13 -","- C72 H68 N4 Nd2 O13 -","- C72 H68 N4 Nd2 O13 -","1","0.5","","Qu, Ziyi; Zhao, Jinjin; Ren, Ning; Zhang, Jianjun","Synthesis, structures, thermal decomposition mechanism, and luminescence properties of Sm(iii), Pr(iii), Nd(iii), and La(iii) complexes with diverse carboxylate coordination modes","New Journal of Chemistry","2026","","","","","10.1039/D5NJ05019G","","","0.71073","MoKα","","0.0515","0.0451","","","0.0987","0.1033","","","","","","1.088","","","","has coordinates,has disorder","306539","2026-06-10","02:21:42",""
"7064442","10.678","0.003","12.64","0.003","12.648","0.003","89.183","0.009","66.989","0.008","82.021","0.008","1554.6","0.7","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C72 H68 N4 O13 Sm2 -","- C72 H68 N4 O13 Sm2 -","- C72 H68 N4 O13 Sm2 -","1","0.5","","Qu, Ziyi; Zhao, Jinjin; Ren, Ning; Zhang, Jianjun","Synthesis, structures, thermal decomposition mechanism, and luminescence properties of Sm(iii), Pr(iii), Nd(iii), and La(iii) complexes with diverse carboxylate coordination modes","New Journal of Chemistry","2026","","","","","10.1039/D5NJ05019G","","","0.71073","MoKα","","0.1086","0.078","","","0.1648","0.1864","","","","","","1.064","","","","has coordinates,has disorder","306539","2026-06-10","02:21:42",""
"7064443","14.57","0.0015","14.7415","0.0016","18.4795","0.0018","90","","89.995","0.004","90","","3969.1","0.7","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C88 H82 La2 N4 O16 -","- C88 H82 La2 N4 O16 -","- C176 H164 La4 N8 O32 -","2","0.5","","Qu, Ziyi; Zhao, Jinjin; Ren, Ning; Zhang, Jianjun","Synthesis, structures, thermal decomposition mechanism, and luminescence properties of Sm(iii), Pr(iii), Nd(iii), and La(iii) complexes with diverse carboxylate coordination modes","New Journal of Chemistry","2026","","","","","10.1039/D5NJ05019G","","","0.71073","MoKα","","0.0777","0.0575","","","0.1116","0.1235","","","","","","1.103","","","","has coordinates,has disorder","306539","2026-06-10","02:21:42",""
"7064444","10.739","0.003","12.608","0.004","12.675","0.004","89.093","0.01","67.669","0.01","81.574","0.011","1568.8","0.8","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C72 H68 N4 O13 Pr2 -","- C72 H68 N4 O13 Pr2 -","- C72 H68 N4 O13 Pr2 -","1","0.5","","Qu, Ziyi; Zhao, Jinjin; Ren, Ning; Zhang, Jianjun","Synthesis, structures, thermal decomposition mechanism, and luminescence properties of Sm(iii), Pr(iii), Nd(iii), and La(iii) complexes with diverse carboxylate coordination modes","New Journal of Chemistry","2026","","","","","10.1039/D5NJ05019G","","","0.71073","MoKα","","0.0933","0.0691","","","0.1237","0.1366","","","","","","1.157","","","","has coordinates,has disorder","306539","2026-06-10","02:21:42",""
"7064445","9.0695","0.0011","22.929","0.002","16.512","0.0017","90","","100.459","0.004","90","","3376.7","0.6","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C32 H48 Ag F3 N O3 P S -","- C32 H48 Ag F3 N O3 P S -","- C128 H192 Ag4 F12 N4 O12 P4 S4 -","4","1","","Gorbachuk, Elena; Mikhaylov, Maxim; Tagiltsev, Kirill; Yudin, Vasily; Sukhikh, Taisiya; Sukhov, Aleksandr; Faizullin, Bulat; Shmelev, Artemiy; Nikiforov, Viktor; Sokolov, Maxim; Yakhvarov, Dmitry","A highly intensive red luminescent benzotriazolate complex of {Mo6I8} with {Ag(tBuXPhos)}","New Journal of Chemistry","2026","","","","","10.1039/D5NJ04454E","","","0.71073","MoKα","","0.0702","0.0521","","","0.1178","0.1269","","","","","","1.055","","","","has coordinates","306571","2026-06-16","00:35:41",""
"7064446","18.6854","0.0004","14.5791","0.0003","26.4243","0.0005","90","","101.158","0.001","90","","7062.3","0.2","150","2","150","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C44 H67.4 I8 Mo6 N18 Na1.6 O13.5 -","- C36 H24 I8 Mo6 N18 Na1.606 O3.506 -","- C144 H96 I32 Mo24 N72 Na6.424 O14.024 -","4","1","","Gorbachuk, Elena; Mikhaylov, Maxim; Tagiltsev, Kirill; Yudin, Vasily; Sukhikh, Taisiya; Sukhov, Aleksandr; Faizullin, Bulat; Shmelev, Artemiy; Nikiforov, Viktor; Sokolov, Maxim; Yakhvarov, Dmitry","A highly intensive red luminescent benzotriazolate complex of {Mo6I8} with {Ag(tBuXPhos)}","New Journal of Chemistry","2026","","","","","10.1039/D5NJ04454E","","","0.71073","MoKα","","0.0597","0.0423","","","0.1129","0.1244","","","","","","1.049","","","","has coordinates,has disorder","306571","2026-06-16","00:35:41",""
"7064447","10.9171","0.0002","20.4854","0.0003","14.6193","0.0003","90","","103.637","0.0005","90","","3177.3","0.1","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C60 H90 Ag2 F6 O6 P2 S2 -","- C60 H90 Ag2 F6 O6 P2 S2 -","- C120 H180 Ag4 F12 O12 P4 S4 -","2","0.5","","Gorbachuk, Elena; Mikhaylov, Maxim; Tagiltsev, Kirill; Yudin, Vasily; Sukhikh, Taisiya; Sukhov, Aleksandr; Faizullin, Bulat; Shmelev, Artemiy; Nikiforov, Viktor; Sokolov, Maxim; Yakhvarov, Dmitry","A highly intensive red luminescent benzotriazolate complex of {Mo6I8} with {Ag(tBuXPhos)}","New Journal of Chemistry","2026","","","","","10.1039/D5NJ04454E","","","0.71073","MoKα","","0.0461","0.0348","","","0.0707","0.0776","","","","","","1.036","","","","has coordinates,has disorder","306571","2026-06-16","00:35:41",""
"7064448","12.4843","0.0002","12.7328","0.0002","17.9457","0.0004","107.197","0.001","91.088","0.001","100.871","0.001","2667.71","0.09","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C92 H116 I8 Mo6 N32 -","- C92 H116 I8 Mo6 N32 -","- C92 H116 I8 Mo6 N32 -","1","0.5","","Gorbachuk, Elena; Mikhaylov, Maxim; Tagiltsev, Kirill; Yudin, Vasily; Sukhikh, Taisiya; Sukhov, Aleksandr; Faizullin, Bulat; Shmelev, Artemiy; Nikiforov, Viktor; Sokolov, Maxim; Yakhvarov, Dmitry","A highly intensive red luminescent benzotriazolate complex of {Mo6I8} with {Ag(tBuXPhos)}","New Journal of Chemistry","2026","","","","","10.1039/D5NJ04454E","","","0.71073","MoKα","","0.03","0.024","","","0.0523","0.0562","","","","","","1.035","","","","has coordinates,has disorder","306571","2026-06-16","00:35:41",""
"7064449","17.8066","0.001","19.1013","0.001","22.6846","0.0013","111.715","0.004","100.983","0.004","98.71","0.004","6825.4","0.7","150","","150","","","","","","","","","10","P -1","-P 1","2","","","","- C235 H357 Ag6 F12 I8 Mo6 N18 O22.5 P6 S4 -","- C214 H294 Ag6 F12 I8 Mo6 N18 O12 P6 S4 -","- C214 H294 Ag6 F12 I8 Mo6 N18 O12 P6 S4 -","1","0.5","","Gorbachuk, Elena; Mikhaylov, Maxim; Tagiltsev, Kirill; Yudin, Vasily; Sukhikh, Taisiya; Sukhov, Aleksandr; Faizullin, Bulat; Shmelev, Artemiy; Nikiforov, Viktor; Sokolov, Maxim; Yakhvarov, Dmitry","A highly intensive red luminescent benzotriazolate complex of {Mo6I8} with {Ag(tBuXPhos)}","New Journal of Chemistry","2026","","","","","10.1039/D5NJ04454E","","","1.54178","CuKα","","0.0949","0.0536","","","0.1222","0.1414","","","","","","0.95","","","","has coordinates,has disorder","306571","2026-06-16","00:35:41",""
"7064450","7.602","0.008","12.115","0.012","16.305","0.016","93.595","0.016","92.18","0.017","91.788","0.016","1497","3","173.02","","173.02","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H46 N10 P3 -","- C24 H46 N10 P3 -","- C48 H92 N20 P6 -","2","1","","Binici, Arzu","The syntheses, crystal structures, and spectroscopic, chiral, thermal and free radical scavenging properties of fully and partially substituted indolyl-phosphazenes","New Journal of Chemistry","2026","","","","","10.1039/D6NJ00879H","","","0.71073","MoKα","","0.1083","0.059","","","0.1345","0.1512","","","","","","0.985","","","","has coordinates,has disorder","306604","2026-06-20","01:06:37",""
"7064451","8.3468","0.0005","12.0926","0.0004","12.7425","0.0004","94.782","0.003","101.229","0.004","98.377","0.004","1239.78","0.1","172","2","172","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H31 Cl2 N8 P3 -","- C18 H31 Cl2 N8 P3 -","- C36 H62 Cl4 N16 P6 -","2","1","","Binici, Arzu","The syntheses, crystal structures, and spectroscopic, chiral, thermal and free radical scavenging properties of fully and partially substituted indolyl-phosphazenes","New Journal of Chemistry","2026","","","","","10.1039/D6NJ00879H","","","0.71073","MoKα","","0.1375","0.0887","","","0.222","0.2451","","","","","","0.988","","","","has coordinates,has disorder","306604","2026-06-20","01:06:37",""
"7064452","17.256","0.004","8.26","0.002","17.088","0.004","90","","104.828","0.007","90","","2354.5","1","300","","300","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","P-TER","","- C30 H22 N4 S -","- C30 H22 N4 S -","- C120 H88 N16 S4 -","4","1","","Vinayagam, Dhandapani; Subramanian, Karpagam","A Highly Selective Phenothiazine–Terpyridine Chemosensor for Zn2+: From Molecular Design to Real-Time Plant and Water Applications","New Journal of Chemistry","2026","","","","","10.1039/D6NJ01534D","","","0.71073","MoKα","","0.073","0.0436","","","0.0954","0.1153","","","","","","1.06","","","","has coordinates","306632","2026-06-24","01:08:48",""
"7064453","13.0699","0.0004","37.9564","0.0015","11.1243","0.0004","90","","90","","90","","5518.6","0.3","99.95","0.1","99.95","0.1","","","","","","","","5","P n m a","-P 2ac 2n","62","","4-hydroxyphenyl-substituted 5,15-dioxaporphyrin nickel complex","","- C34 H26 N4 Ni O5 -","- C34 H26 N4 Ni O5 -","- C272 H208 N32 Ni8 O40 -","8","1","","Duan, Ran; Mori, Shigeki; Saeki, Akinori; Iwasaki, Takanori; Shimizu, Soji","Supramolecular Polymerization of Antiaromatic 5,15-Dioxaporphyrin","New Journal of Chemistry","2026","","","","","10.1039/D6NJ01964A","","x-ray","0.71073","MoKα","","0.135","0.0789","","","0.1757","0.1861","","","","","","1.168","","","","has coordinates,has disorder","306645","2026-06-25","01:27:21",""
"7064454","8.6758","0.0004","15.7644","0.0006","10.951","0.0005","90","","96.07","0.002","90","","1489.36","0.11","273","2","273.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H15 N3 O9 -","- C12 H15 N3 O9 -","- C48 H60 N12 O36 -","4","1","","Tiwari, Vanshika; Shukla, Vibhav; Aalam, Gulshitab; Ali, S. Wazed; Alenazi, Naifa; Siddiqui, Kafeel Ahmad","Cu/Ag@Tris(2-carboxyethyl) isocyanurate Composites: Cu-Doping Tune the Fluorescence Recognition of Metronidazole Antibiotics and Photodegradation of Rhodamine B Dye with Enhance Antibacterial Activity","New Journal of Chemistry","2026","","","","","10.1039/D6NJ01816E","","","0.71073","MoKα","","0.0633","0.0457","","","0.1197","0.137","","","","","","1.061","","","","has coordinates,has disorder","306657","2026-06-26","02:03:32",""
"7064455","7.3161","0.0004","8.5269","0.0005","10.0286","0.0006","84.812","0.005","77.336","0.005","78.531","0.004","597.49","0.06","100","","100","","","","","","","","","4","P -1","-P 1","2","","E24-LT","","- C14 H9 N3 O2 -","- C14 H9 N3 O2 -","- C28 H18 N6 O4 -","2","1","","Dogra, Sunanda; Harsha, Priyasha; Roy Choudhury, Angshuman","Mechanical Behaviour Modulation through Substituent Reversal in Schiff Base Molecular Crystals","New Journal of Chemistry","2026","","","","","10.1039/D6NJ01952H","","x-ray","0.71073","MoKα","","0.0534","0.0461","","","0.121","0.1324","","","","","","1.08","","","","has coordinates","306667","2026-06-27","01:19:08",""
"7064456","3.7943","0.0006","22.906","0.003","13.931","0.002","90","","96.973","0.015","90","","1201.8","0.3","100","0.01","100","0.01","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","E25LT","","- C14 H9 N3 O2 -","- C14 H9 N3 O2 -","- C56 H36 N12 O8 -","4","1","","Dogra, Sunanda; Harsha, Priyasha; Roy Choudhury, Angshuman","Mechanical Behaviour Modulation through Substituent Reversal in Schiff Base Molecular Crystals","New Journal of Chemistry","2026","","","","","10.1039/D6NJ01952H","","x-ray","0.71073","MoKα","","0.0886","0.0601","","","0.1429","0.1666","","","","","","1.083","","","","has coordinates","306667","2026-06-27","01:19:08",""
"7064457","21.311","0.0006","24.2504","0.0009","14.0934","0.0005","90","","90","","90","","7283.5","0.4","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C59 H84 K4 N4 O21 Zn3 -","- C59 H84 K4 N4 O21 Zn3 -","- C236 H336 K16 N16 O84 Zn12 -","4","0.5","","Vos, Cyler W.; Croke, Rylan; Lin, Jian-Bin; Kozak, Christopher M.","Ring-Opening Polymerization of Lactide and Ring-Opening Copolymerization of Cyclohexene Oxide and Phthalic Anhydride by Multinuclear Complexes of Zinc, Magnesium and Potassium","New Journal of Chemistry","2026","","","","","10.1039/D6NJ01550F","","x-ray","1.54184","CuKα","","0.116","0.0705","","","0.1579","0.1813","","","","","","1.039","","","","has coordinates,has disorder","306672","2026-06-28","01:04:10",""
"7064458","13.0577","0.0001","12.569","0.0001","29.1814","0.0003","90","","94.694","0.001","90","","4773.25","0.07","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C48 H66 N4 O12 Zn3 -","- C48 H66 N4 O12 Zn3 -","- C192 H264 N16 O48 Zn12 -","4","0.5","","Vos, Cyler W.; Croke, Rylan; Lin, Jian-Bin; Kozak, Christopher M.","Ring-Opening Polymerization of Lactide and Ring-Opening Copolymerization of Cyclohexene Oxide and Phthalic Anhydride by Multinuclear Complexes of Zinc, Magnesium and Potassium","New Journal of Chemistry","2026","","","","","10.1039/D6NJ01550F","","x-ray","1.54184","CuKα","","0.0353","0.0294","","","0.074","0.0775","","","","","","1.028","","","","has coordinates","306672","2026-06-28","01:04:10",""
"7064459","13.0587","0.0002","12.5083","0.0002","29.3098","0.0004","90","","95.008","0.001","90","","4769.25","0.12","100","2","100","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C48 H66 Mg0.74 N4 O12 Zn2.26 -","- C48 H66 Mg0.7435 N4 O12 Zn2.2565 -","- C192 H264 Mg2.974 N16 O48 Zn9.026 -","4","0.5","","Vos, Cyler W.; Croke, Rylan; Lin, Jian-Bin; Kozak, Christopher M.","Ring-Opening Polymerization of Lactide and Ring-Opening Copolymerization of Cyclohexene Oxide and Phthalic Anhydride by Multinuclear Complexes of Zinc, Magnesium and Potassium","New Journal of Chemistry","2026","","","","","10.1039/D6NJ01550F","","x-ray","0.71073","MoKα","","0.0364","0.0283","","","0.0671","0.0698","","","","","","1.042","","","","has coordinates,has disorder","306672","2026-06-28","01:04:10",""
"7064460","13.0688","0.0003","12.4865","0.0002","29.3684","0.0005","90","","95.071","0.002","90","","4773.68","0.16","100","2","100","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C48 H66 Mg0.94 N4 O12 Zn2.06 -","- C48 H66 Mg0.9414 N4 O12 Zn2.0586 -","- C192 H264 Mg3.7656 N16 O48 Zn8.2344 -","4","0.5","","Vos, Cyler W.; Croke, Rylan; Lin, Jian-Bin; Kozak, Christopher M.","Ring-Opening Polymerization of Lactide and Ring-Opening Copolymerization of Cyclohexene Oxide and Phthalic Anhydride by Multinuclear Complexes of Zinc, Magnesium and Potassium","New Journal of Chemistry","2026","","","","","10.1039/D6NJ01550F","","x-ray","0.71073","MoKα","","0.0391","0.0292","","","0.0672","0.0701","","","","","","1.038","","","","has coordinates,has disorder","306672","2026-06-28","01:04:10",""
"7064461","10.6443","0.0001","14.5605","0.0002","14.656","0.0002","90","","106.114","0.001","90","","2182.24","0.05","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H32 N2 O4 -","- C22 H32 N2 O4 -","- C88 H128 N8 O16 -","4","1","","Vos, Cyler W.; Croke, Rylan; Lin, Jian-Bin; Kozak, Christopher M.","Ring-Opening Polymerization of Lactide and Ring-Opening Copolymerization of Cyclohexene Oxide and Phthalic Anhydride by Multinuclear Complexes of Zinc, Magnesium and Potassium","New Journal of Chemistry","2026","","","","","10.1039/D6NJ01550F","","x-ray","1.54184","CuKα","","0.049","0.0419","","","0.1191","0.1248","","","","","","1.077","","","","has coordinates","306672","2026-06-28","01:04:10",""
"7135153","10.981","0.003","14.833","0.004","13.238","0.003","90","","90.05","0.02","90","","2156.2","1","100","0.1","100","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C43 H40 F10 N4 O9 Zn -","- C43 H40 F10 N4 O9 Zn -","- C86 H80 F20 N8 O18 Zn2 -","2","1","","Sarwa, Aleksandra; Matviyishyn, Maksym; Perdek, Jędrzej P; Trzaskowski, Bartosz; Kulesza, Dagmara; Zych, Eugeniusz; Szyszko, Bartosz","Mechanically interlocked porphyrinoids: self-assembly of metal-stabilised catenaphyrins.","Chemical communications (Cambridge, England)","2026","62","1","148","151","10.1039/d5cc05702g","","x-ray","1.54184","CuKα","","0.0224","0.0221","","","0.0581","0.0583","","","","","","1.038","","","","has coordinates,has disorder","304861","2026-03-05","12:10:29",""
"7135154","23.123","0.004","23.123","0.004","16.184","0.003","90","","90","","120","","7494","2","99.98","0.1","99.98","0.1","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C76 H64 N12 O8 Zn2 -","- C76 H64 N12 O8 Zn2 -","- C228 H192 N36 O24 Zn6 -","3","0.5","","Sarwa, Aleksandra; Matviyishyn, Maksym; Perdek, Jędrzej P; Trzaskowski, Bartosz; Kulesza, Dagmara; Zych, Eugeniusz; Szyszko, Bartosz","Mechanically interlocked porphyrinoids: self-assembly of metal-stabilised catenaphyrins.","Chemical communications (Cambridge, England)","2026","62","1","148","151","10.1039/d5cc05702g","","x-ray","1.54184","CuKα","","0.0446","0.0436","","","0.127","0.1281","","","","","","1.087","","","","has coordinates","304861","2026-03-05","12:10:30",""
"7135279","21.4284","0.0015","10.2324","0.0007","11.5649","0.0008","90","","105.207","0.002","90","","2447","0.3","295","2","295","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H32 O4 S -","- C26 H32 O4 S -","- C104 H128 O16 S4 -","4","1","","Samantaray, Swati; Saha, Sharajit; Punniyamurthy, Tharmalingam","Rh-catalyzed chemodivergent [4+1]-annulation/allylation of sulfoxonium ylides with α-methylene-β-lactones: access to α-indanonyl/α-benzyl acrylates","Chemical Communications","2026","","","","","10.1039/D5CC05716G","","","0.71073","MoKα","","0.138","0.0774","","","0.1257","0.1575","","","","","","1.174","","","","has coordinates","304000","2025-12-02","23:01:12",""
"7135280","8.4589","0.0006","9.2758","0.0006","9.7016","0.0006","93.006","0.002","108.39","0.001","93.186","0.002","719.26","0.08","295","2","295","","","","","","","","","3","P -1","-P 1","2","","","","- C17 H18 O3 -","- C17 H18 O3 -","- C34 H36 O6 -","2","1","","Samantaray, Swati; Saha, Sharajit; Punniyamurthy, Tharmalingam","Rh-catalyzed chemodivergent [4+1]-annulation/allylation of sulfoxonium ylides with α-methylene-β-lactones: access to α-indanonyl/α-benzyl acrylates","Chemical Communications","2026","","","","","10.1039/D5CC05716G","","","0.71073","MoKα","","0.0754","0.0612","","","0.1479","0.1587","","","","","","1.059","","","","has coordinates","304000","2025-12-02","23:01:12",""
"7135284","22.6915","0.0001","22.6915","0.0001","39.2399","0.0002","90","","90","","120","","17497.9","0.14","100","0.1","100","0.1","","","","","","","","6","R -3 m :H","-R 3 2""","166","","","","- C6 N1.5 O11.917 P0.333 W3 Zr0.5 -","- C6 N1.5 O11.9167 P0.333333 W3 Zr0.5 -","- C216 N54 O429 P12 W108 Zr18 -","36","1","","Liang, Zhijie; Yao, Yiqing; Ding, Yuyang; Wang, Haifeng; Li, Huafeng; Feng, Gang","Stable Zr-based polyoxometalate as a green catalyst for selective oxidation of aniline","Chemical Communications","2026","","","","","10.1039/D5CC06298E","","x-ray","1.3405","GaKα","","0.0355","0.0347","","","0.086","0.0866","","","","","","1.032","","","","has coordinates","304015","2025-12-03","22:58:07",""
"7135285","9.0582","0.0001","11.4917","0.0002","16.1874","0.0002","102.344","0.001","104.774","0.001","102.029","0.001","1528.74","0.04","295.52","0.1","295.52","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C34 H36 N4 O6 -","- C34 H36 N4 O6 -","- C68 H72 N8 O12 -","2","1","","Luan, Yu-Yong; Li, Jin-Ye; Liu, Xue-Yuan; Liang, Yong-Min","Ru-Catalyzed C-H Annulation: Accessing Quinazolinone-BCP Hybrids from Stable Precursors","Chemical Communications","2026","","","","","10.1039/D5CC05977A","","x-ray","1.54184","CuKα","","0.0512","0.0469","","","0.1376","0.1414","","","","","","1.072","","","","has coordinates","304016","2025-12-03","22:58:51",""
"7135286","12.2189","0.0001","18.2929","0.0001","17.8873","0.0001","90","","103.89","0.001","90","","3881.24","0.05","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H59 Cl2 N2 P Ru -","- C40 H59 Cl2 N2 P Ru -","- C160 H236 Cl8 N8 P4 Ru4 -","4","1","","Pontavatchai, Apicha; Schwedtmann, Kevin; Royla, Philipp; Schwedtmann, Kai; Khamnaen, Tossapol; Schwarzenbolz, Uwe; Henle, Thomas; Somsook, Ekasith; Weigand, Jan J.","Chain-length-dependent reactivity of alkenyl phosphates in ruthenium-catalyzed cross-metathesis","Chemical Communications","2026","","","","","10.1039/D5CC05790F","","x-ray","1.54184","CuKα","","0.0267","0.0255","","","0.0663","0.0675","","","","","","1.021","","","","has coordinates","304017","2025-12-03","22:59:20",""
"7135289","7.035","0.003","9.707","0.004","11.99","0.005","97.167","0.014","102.787","0.013","102.826","0.014","765.4","0.6","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C9 H18 B9 N O2 -","- C9 H18 B9 N O2 -","- C18 H36 B18 N2 O4 -","2","1","","Li, Xinrui; Zhou, Ningning; Tu, Deshuang; Lu, Chang-sheng; Yan, Hong","Metal-free regioselective B–O coupling in carboranes for constructing aggregation-induced emission luminogens","Chemical Communications","2026","","","","","10.1039/D5CC03944D","","","0.71073","MoKα","","0.0993","0.0687","","","0.1898","0.2126","","","","","","1.075","","","","has coordinates","304032","2025-12-04","22:59:04",""
"7135290","9.3624","0.0008","15.562","0.0014","12.4785","0.0012","90","","106.649","0.003","90","","1741.9","0.3","193","","193","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H19 B9 N2 O2 -","- C13 H19 B9 N2 O2 -","- C52 H76 B36 N8 O8 -","4","1","","Li, Xinrui; Zhou, Ningning; Tu, Deshuang; Lu, Chang-sheng; Yan, Hong","Metal-free regioselective B–O coupling in carboranes for constructing aggregation-induced emission luminogens","Chemical Communications","2026","","","","","10.1039/D5CC03944D","","","0.71073","MoKα","","0.105","0.056","","","0.1223","0.1421","","","","","","1.017","","","","has coordinates","304032","2025-12-04","22:59:04",""
"7135291","6.5542","0.001","10.0432","0.0013","14.4842","0.0019","79.901","0.004","79.8","0.005","74.684","0.005","896.7","0.2","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H20 B9 N O2 -","- C14 H20 B9 N O2 -","- C28 H40 B18 N2 O4 -","2","1","","Li, Xinrui; Zhou, Ningning; Tu, Deshuang; Lu, Chang-sheng; Yan, Hong","Metal-free regioselective B–O coupling in carboranes for constructing aggregation-induced emission luminogens","Chemical Communications","2026","","","","","10.1039/D5CC03944D","","","0.71073","MoKα","","0.1189","0.0632","","","0.1513","0.1782","","","","","","1.066","","","","has coordinates","304032","2025-12-04","22:59:04",""
"7135292","20.3463","0.001","6.4323","0.0004","20.4209","0.0009","90","","103.65","0.002","90","","2597.1","0.2","193","","193","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C7 H15 B9 Cl N -","- C7 H15 B9 Cl N -","- C56 H120 B72 Cl8 N8 -","8","1","","Li, Xinrui; Zhou, Ningning; Tu, Deshuang; Lu, Chang-sheng; Yan, Hong","Metal-free regioselective B–O coupling in carboranes for constructing aggregation-induced emission luminogens","Chemical Communications","2026","","","","","10.1039/D5CC03944D","","","0.71073","MoKα","","0.0549","0.0416","","","0.1087","0.12","","","","","","1.0385","","","","has coordinates","304032","2025-12-04","22:59:04",""
"7135293","20.226","0.005","7.0287","0.0016","19.947","0.005","90","","96.446","0.006","90","","2817.8","1.2","193","","193","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C7 H14 B9 Cl2 N -","- C7 H14 B9 Cl2 N -","- C56 H112 B72 Cl16 N8 -","8","1","","Li, Xinrui; Zhou, Ningning; Tu, Deshuang; Lu, Chang-sheng; Yan, Hong","Metal-free regioselective B–O coupling in carboranes for constructing aggregation-induced emission luminogens","Chemical Communications","2026","","","","","10.1039/D5CC03944D","","","0.71073","MoKα","","0.1166","0.0851","","","0.2367","0.266","","","","","","0.995","","","","has coordinates","304032","2025-12-04","22:59:04",""
"7135300","14.2771","0.0004","37.754","0.001","17.4551","0.0005","90","","107.017","0.003","90","","8996.7","0.5","303.09","0.13","303.09","0.13","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H20 O5 S -","- C27 H20 O5 S -","- C432 H320 O80 S16 -","16","4","","Yang, Zhi-Yuan; Li, Xue-Song; Zhang, Ming-Li; You, Zi-Xin; Liang, Yong-Min; Zhou, Ming-Dong","Lewis Acid Catalysed Cyclization of Pyridinium 1,4-Zwitterionic Thiolates with Propargyl Alcohols and Fluorescence Applications","Chemical Communications","2026","","","","","10.1039/D5CC06010A","","x-ray","0.71073","MoKα","","0.151","0.1055","","","0.2812","0.3114","","","","","","1.039","","","","has coordinates,has disorder","304035","2025-12-04","23:01:43",""
"7135301","6.9559","0.0009","28.73","0.004","14.9096","0.0019","90","","96.72","0.002","90","","2959.1","0.7","140","","140","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H23 F3 I N O -","- C36 H23 F3 I N O -","- C144 H92 F12 I4 N4 O4 -","4","1","","Jagota, Shivankar; Rana, Samim Sohel; Barman, Chhotan; Choudhury, Joyanta","Annulated oxazolium salts as anion-π + interaction-enabled solid-state room-temperature phosphorescent materials","Chemical Communications","2026","","","","","10.1039/D5CC05870H","","x-ray","0.71073","MoKα","","0.0549","0.0395","","","0.0775","0.0828","","","","","","1.043","","","","has coordinates","304060","2025-12-05","22:56:03",""
"7135302","14.085","0.003","7.2681","0.0008","15.308","0.003","90","","97.143","0.005","90","","1554.9","0.5","125","","125","","","","","","","","","5","P 1 21 1","P 2yb","4","","JC_SJ_HI","","- C38 H29 I N2 O2 -","- C38 H29 I N2 O2 -","- C76 H58 I2 N4 O4 -","2","1","","Jagota, Shivankar; Rana, Samim Sohel; Barman, Chhotan; Choudhury, Joyanta","Annulated oxazolium salts as anion-π + interaction-enabled solid-state room-temperature phosphorescent materials","Chemical Communications","2026","","","","","10.1039/D5CC05870H","","","0.71073","MoKα","","0.0531","0.0372","","","0.0699","0.077","","","","","","1.023","","","","has coordinates","304060","2025-12-05","22:56:03",""
"7135303","25.9967","0.0013","13.28","0.0005","17.7015","0.0008","90","","93.282","0.002","90","","6101.2","0.5","140","","140","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C35 H24 I N O -","- C35 H24 I N O -","- C280 H192 I8 N8 O8 -","8","1","","Jagota, Shivankar; Rana, Samim Sohel; Barman, Chhotan; Choudhury, Joyanta","Annulated oxazolium salts as anion-π + interaction-enabled solid-state room-temperature phosphorescent materials","Chemical Communications","2026","","","","","10.1039/D5CC05870H","","x-ray","0.71073","MoKα","","0.0786","0.0476","","","0.1209","0.1377","","","","","","1.051","","","","has coordinates,has disorder","304060","2025-12-05","22:56:03",""
"7135308","14.3566","0.0001","11.8396","0.0001","26.4983","0.0003","90","","101.79","0.001","90","","4409.06","0.07","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H25 N2 Rb -","- C27 H25 N2 Rb -","- C216 H200 N16 Rb8 -","8","2","","Burnett, Stuart; Kennedy, Alan; Mansell, Stephen M.; Weetman, Catherine Ellen","Fluorenyl-Tethered N-Heterocyclic Carbene Complexes of the Heavy Alkali Metals","Chemical Communications","2026","","","","","10.1039/D5CC06477E","","x-ray","1.54184","CuKα","","0.0638","0.0561","","","0.1452","0.1512","","","","","","1.027","","","","has coordinates","304128","2025-12-08","22:55:59",""
"7135309","25.3737","0.0003","12.0154","0.0001","17.5574","0.0002","90","","90","","90","","5352.82","0.1","200","2","200","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C46 H69 Cs2 Li N4 Si4 -","- C46 H69 Cs2 Li N4 Si4 -","- C184 H276 Cs8 Li4 N16 Si16 -","4","1","","Burnett, Stuart; Kennedy, Alan; Mansell, Stephen M.; Weetman, Catherine Ellen","Fluorenyl-Tethered N-Heterocyclic Carbene Complexes of the Heavy Alkali Metals","Chemical Communications","2026","","","","","10.1039/D5CC06477E","","","1.54184","CuKα","","0.0912","0.0789","","","0.1982","0.2063","","","","","","1.027","","","","has coordinates,has disorder","304128","2025-12-08","22:55:59",""
"7135310","14.4348","0.0001","12.0323","0.0001","26.6844","0.0001","90","","100.598","0.001","90","","4555.59","0.05","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H25 Cs N2 -","- C27 H25 Cs N2 -","- C216 H200 Cs8 N16 -","8","2","","Burnett, Stuart; Kennedy, Alan; Mansell, Stephen M.; Weetman, Catherine Ellen","Fluorenyl-Tethered N-Heterocyclic Carbene Complexes of the Heavy Alkali Metals","Chemical Communications","2026","","","","","10.1039/D5CC06477E","","x-ray","1.54184","CuKα","","0.0308","0.0299","","","0.0829","0.0835","","","","","","1.042","","","","has coordinates","304128","2025-12-08","22:55:59",""
"7135311","9.0051","0.0001","11.4959","0.0002","22.2845","0.0003","86.46","0.001","80.555","0.001","74.909","0.001","2196.74","0.06","298","","298","","","","","","","","","6","P -1","-P 1","2","","","","- C44 H28 F18 N6 P2 Ru -","- C44 H28 F18 N6 P2 Ru -","- C88 H56 F36 N12 P4 Ru2 -","2","1","","Mandal, Arif Ali; Kumar, Saurav; Singh, Srijan; Mandal, Apurba; Banerjee, Samya; Dhar, Prodyut","Novel Ru(II)-Photo-antibiotics for Development of Infection-Resistant Mask Coatings","Chemical Communications","2026","","","","","10.1039/D5CC06235G","","x-ray","1.54184","CuKα","","0.0625","0.0567","","","0.1495","0.1536","","","","","","1.078","","","","has coordinates","304129","2025-12-08","22:56:45",""
"7135312","9.214","0.003","14.22","0.005","11.153","0.004","90","","111.181","0.011","90","","1362.6","0.8","304","2","304","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H24 Br N2 O4 -","- C31 H24 Br N2 O4 -","- C62 H48 Br2 N4 O8 -","2","1","","Devi, Manju; Jain, Gyanshree; Gupta, Navya; Ansari, Najmuddin; Singh, Ravi Prakash","Atroposelective Synthesis of Barbiturate Substituted Chiral Styrenes","Chemical Communications","2026","","","","","10.1039/D5CC06302G","","","0.71073","MoKα","","0.0779","0.0321","","","0.0573","0.0633","","","","","","0.795","","","","has coordinates","304140","2025-12-09","23:05:10",""
"7135313","19.0074","0.0006","11.0694","0.0006","18.0225","0.0008","90","","110.883","0.002","90","","3542.9","0.3","305","2","305","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C4.09 H3.74 N0.17 O0.61 P0.09 -","- C3.73913 H3.04348 N0.173913 O0.434783 P0.0869565 -","- C172 H140 N8 O20 P4 -","46","11.5","","Devi, Manju; Jain, Gyanshree; Gupta, Navya; Ansari, Najmuddin; Singh, Ravi Prakash","Atroposelective Synthesis of Barbiturate Substituted Chiral Styrenes","Chemical Communications","2026","","","","","10.1039/D5CC06302G","","","0.71073","MoKα","","0.0484","0.0378","","","0.0969","0.1043","","","","","","1.026","","","","has coordinates","304140","2025-12-09","23:05:10",""
"7135314","25.189","0.003","22.7748","0.0017","24.3234","0.0013","90","","96.945","0.007","90","","13851","2","170","0.1","170","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C108 H35 Co N5 -","- C108 H35 Co N5 -","- C864 H280 Co8 N40 -","8","1","","Wang, Tao; Song, Yupeng; Wang, Chong; Wang, Hongyi; Zhang, Youpeng; Jiang, Ying; Dong, Tianyang; Wu, Bo; Wang, Chun-Ru","Fullerene–Porphyrin Nanosheet as an Efficient Catalyst Enables Solar-Light-Driven Ammonia Synthesis","Chemical Communications","2026","","","","","10.1039/D5CC06441D","","x-ray","1.54184","CuKα","","0.287","0.1414","","","0.3194","0.4255","","","","","","1.043","","","","has coordinates","304141","2025-12-09","23:05:50",""
"7135315","11.947","0.009","17.077","0.013","7.029","0.005","90","","111.18","0.02","90","","1337.2","1.7","160","","160","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C16 H10 N4 S -","- C16 H10 N4 S -","- C64 H40 N16 S4 -","4","1","","Nakamura, Ryo; Sawamura, Yuta; Nakada, Kazushi; Mizoguchi, Ryusuke; Ishii, Ayumi; Yamashita, Tomohiro; Yokota, Hiroko; Richards, Gary James; Hori, Akiko","Red-fluorescence under UV and green-SHG under NIR dual-mode emission in yellow crystal of 1,2,5-thiadiazole derivative","Chemical Communications","2026","","","","","10.1039/D5CC05735C","","","0.71073","MoKα","","0.0629","0.0482","","","0.1223","0.1358","","","","","","1.139","","","","has coordinates","304142","2025-12-09","23:06:18",""
"7135316","25.61","0.012","7.253","0.004","17.715","0.009","90","","106.797","0.017","90","","3150","3","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H28 N6 S -","- C40 H28 N6 S -","- C160 H112 N24 S4 -","4","1","","Nakamura, Ryo; Sawamura, Yuta; Nakada, Kazushi; Mizoguchi, Ryusuke; Ishii, Ayumi; Yamashita, Tomohiro; Yokota, Hiroko; Richards, Gary James; Hori, Akiko","Red-fluorescence under UV and green-SHG under NIR dual-mode emission in yellow crystal of 1,2,5-thiadiazole derivative","Chemical Communications","2026","","","","","10.1039/D5CC05735C","","","0.71073","MoKα","","0.1038","0.0672","","","0.1623","0.1929","","","","","","1.046","","","","has coordinates","304142","2025-12-09","23:06:18",""
"7135317","10.1599","0.001","15.9561","0.0015","19.0317","0.0018","90","","99.943","0.002","90","","3038.9","0.5","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33.5 H15 B F15 O Sb -","- C33.5 H15 B F15 O Sb -","- C134 H60 B4 F60 O4 Sb4 -","4","1","","NGUYEN, THIEN; González-Ortiz, Francisca; Camaret, Ethan; PARK, GYEONGJIN","From Oxygen Atom Transfer by Stibine Oxide to Hydroxoantimony Formation via Lewis Acid Capture","Chemical Communications","2026","","","","","10.1039/D5CC06702B","","","0.71073","MoKα","","0.0249","0.0219","","","0.0513","0.0538","","","","","","1.112","","","","has coordinates,has disorder","304143","2025-12-09","23:06:53",""
"7135318","13.4947","0.0007","15.3391","0.0008","19.1866","0.0009","76.297","0.001","81.376","0.001","68.207","0.001","3574.3","0.3","100","2","100","","","","","","","","","6","P -1","-P 1","2","","","","- C39 H20 B F15 O Sb -","- C39 H20 B F15 O Sb -","- C156 H80 B4 F60 O4 Sb4 -","4","2","","NGUYEN, THIEN; González-Ortiz, Francisca; Camaret, Ethan; PARK, GYEONGJIN","From Oxygen Atom Transfer by Stibine Oxide to Hydroxoantimony Formation via Lewis Acid Capture","Chemical Communications","2026","","","","","10.1039/D5CC06702B","","x-ray","0.71073","MoKα","K-L~3~","0.0773","0.0618","","","0.1426","0.1534","","","","","","1.109","","","","has coordinates","304143","2025-12-09","23:06:53",""
"7135319","17.232","0.003","17.232","0.003","9.882","0.003","90","","90","","120","","2541.2","1","100","","100","","","","","","","","","6","R 3 :H","R 3","146","","","","- C36 H33 B F15 O P -","- C36 H33 B F15 O P -","- C108 H99 B3 F45 O3 P3 -","3","0.333333","","NGUYEN, THIEN; González-Ortiz, Francisca; Camaret, Ethan; PARK, GYEONGJIN","From Oxygen Atom Transfer by Stibine Oxide to Hydroxoantimony Formation via Lewis Acid Capture","Chemical Communications","2026","","","","","10.1039/D5CC06702B","","x-ray","0.71073","MoKα","K-L~3~","0.0534","0.0415","","","0.095","0.1011","","","","","","1.084","","","","has coordinates","304143","2025-12-09","23:06:53",""
"7135320","12.015","0.003","7.2065","0.0014","3.5729","0.0008","90","","90","","90","","309.36","0.12","303","","303.15","","","","","","","","","5","C m m m","-C 2 2","65","","","","- C4 H4 Cl2 Fe N2 -","- C4 H4 Cl2 Fe N2 -","- C8 H8 Cl4 Fe2 N4 -","2","0.125","","Lassoued, Mohamed Saber; Huang, Xue-Qi; Hussain, Abid; Zheng, Yan-Zhen","A Stable Narrow-Bandgap 2D Iron–Pyrazine Framework Exhibiting High Photoconductivity and Spin–Charge Coupling","Chemical Communications","2026","","","","","10.1039/D5CC06087G","","","0.71073","MoKα","","0.0623","0.0598","","","0.1583","0.1594","","","","","","1.415","","","","has coordinates","304144","2025-12-09","23:07:32",""
"7135321","9.0318","0.0002","13.1643","0.0004","17.9475","0.0003","88.547","0.002","81.094","0.002","88.722","0.002","2107.14","0.09","100.15","","100.15","","","","","","","","","6","P 1","P 1","1","","","","- C43 H63 Cl Fe N7 O4 -","- C43 H63 Cl Fe N7 O4 -","- C86 H126 Cl2 Fe2 N14 O8 -","2","2","","Dey Biswas, Doyel; Das, Soumadip; Pal, Debraj; Sen Gupta, Sayam","Enantioselective C-H Bond Oxidation using Bio-Inspired Chiral Fe-TAML Catalyst","Chemical Communications","2026","","","","","10.1039/D5CC06607G","","","1.54184","CuKα","","0.0619","0.0589","","","0.1865","0.1883","","","","","","1.054","","","","has coordinates","304145","2025-12-09","23:07:52",""
"7135322","9.0356","0.0002","13.1688","0.0002","17.9549","0.0003","88.5","0.002","81.057","0.002","88.78","0.001","2109.4","0.07","99.98","0.18","99.98","0.18","","","","","","","","6","P 1","P 1","1","(R,R)-1","(R,R)-[(Ph,Me)-FebTAML][Cl]","","- C43 H63 Cl Fe N7 O4 -","- C43 H63 Cl Fe N7 O4 -","- C86 H126 Cl2 Fe2 N14 O8 -","2","2","","Dey Biswas, Doyel; Das, Soumadip; Pal, Debraj; Sen Gupta, Sayam","Enantioselective C-H Bond Oxidation using Bio-Inspired Chiral Fe-TAML Catalyst","Chemical Communications","2026","","","","","10.1039/D5CC06607G","","x-ray","1.54184","CuKα","","0.0641","0.0622","","","0.2051","0.2064","","","","","","1.058","","","","has coordinates","304145","2025-12-09","23:07:52",""
"7135323","11.1316","0.0004","18.2559","0.0006","8.0791","0.0003","90","","99.445","0.004","90","","1619.56","0.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","6,6-difluoro-4-(2-methoxyphenyl)-6H-6λ4,7λ4-dipyrido[1,2-c:2',1'-f][1,3,2]diazaborinine-12-carbonitrile","","","- C19 H14 B F2 N3 O -","- C19 H14 B F2 N3 O -","- C76 H56 B4 F8 N12 O4 -","4","1","","Figliola, Carlotta; Chériaux, Camille; Oppé, Nicolas; Estaque, Lilian; Retailleau, Pascal; Vanthuyne, Nicolas; Pieters, Gregory; Jacquemin, Denis; Ulrich, Gilles","Design of Heavy-Atom Free Dipyridomethene Boron Complexes for Singlet Oxygen Emission with Induced Chirality","Chemical Communications","2026","","","","","10.1039/D5CC06879G","","x-ray","0.71073","MoKα","","0.0291","0.0196","","","0.0382","0.0411","","","","","","1.0778","","","","has coordinates","304146","2025-12-09","23:08:37",""
"7135324","7.5432","0.0004","8.0975","0.0005","14.2914","0.001","95.85","0.007","95.816","0.007","103.652","0.007","836.72","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H13 B F N3 O -","- C22 H13 B F N3 O -","- C44 H26 B2 F2 N6 O2 -","2","1","","Figliola, Carlotta; Chériaux, Camille; Oppé, Nicolas; Estaque, Lilian; Retailleau, Pascal; Vanthuyne, Nicolas; Pieters, Gregory; Jacquemin, Denis; Ulrich, Gilles","Design of Heavy-Atom Free Dipyridomethene Boron Complexes for Singlet Oxygen Emission with Induced Chirality","Chemical Communications","2026","","","","","10.1039/D5CC06879G","","","1.54187","CuKα","","0.0711","0.0451","","","0.095","0.116","","","","","","0.9641","","","","has coordinates","304146","2025-12-09","23:08:37",""
"7135325","8.2412","0.0006","11.3911","0.0008","21.879","0.0015","90","","90","","90","","2053.9","0.3","140","","140","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H22 Fe O2 -","- C28 H22 Fe O2 -","- C112 H88 Fe4 O8 -","4","1","","Parganiha, Devendra; Upadhyay, Yagya Dutt; Khevariya, Sumit; Patil, Pruthviraj Amar; Jaiswal, Svastik; Dhasmana, Yogesh; Kumar, Sangit","Native Carboxylate-Assisted Enantioselective C-H Annulations with Allenes and 1,3-Dienes on Ferrocene","Chemical Communications","2026","","","","","10.1039/D5CC06160A","","","0.71073","MoKα","","0.0789","0.0535","","","0.1138","0.127","","","","","","1.03","","","","has coordinates,has disorder","304147","2025-12-09","23:09:02",""
"7135326","4.6753","0.0001","36.904","0.0011","10.6315","0.0003","90","","100.522","0.003","90","","1803.49","0.09","303.3","0.4","303.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H14 F3 N -","- C24 H14 F3 N -","- C96 H56 F12 N4 -","4","1","","Wang, Zhengcheng; Gao, Lin; Yu, Qi; Wang, Guo-Ming","Substituent-modulated organic single crystals with rapid natural light photomechanical response","Chemical Communications","2026","","","","","10.1039/D5CC05755H","","","1.54184","CuKα","","0.0857","0.0651","","","0.1772","0.1895","","","","","","1.082","","","","has coordinates,has disorder","304148","2025-12-09","23:09:33",""
"7135327","17.2254","0.0006","7.4849","0.0002","26.994","0.0007","90","","107.221","0.003","90","","3324.32","0.18","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C23 H13 F2 N -","- C23 H13 F2 N -","- C184 H104 F16 N8 -","8","1","","Wang, Zhengcheng; Gao, Lin; Yu, Qi; Wang, Guo-Ming","Substituent-modulated organic single crystals with rapid natural light photomechanical response","Chemical Communications","2026","","","","","10.1039/D5CC05755H","","","1.54184","CuKα","","0.0856","0.0623","","","0.178","0.1946","","","","","","1.069","","","","has coordinates","304148","2025-12-09","23:09:33",""
"7135328","18.3518","0.0003","5.289","0.0001","17.3164","0.0003","90","","109.188","0.002","90","","1587.4","0.05","149.99","0.1","150.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H15 N -","- C23 H15 N -","- C92 H60 N4 -","4","1","","Wang, Zhengcheng; Gao, Lin; Yu, Qi; Wang, Guo-Ming","Substituent-modulated organic single crystals with rapid natural light photomechanical response","Chemical Communications","2026","","","","","10.1039/D5CC05755H","","","1.54184","CuKα","","0.0389","0.0355","","","0.0967","0.0997","","","","","","1.066","","","","has coordinates","304148","2025-12-09","23:09:33",""
"7135329","30.981","0.0002","14.8646","0.0001","25.5815","0.0002","90","","90","","90","","11780.8","0.14","160","2","160","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C108 H155 Cs2 O12 P7 Pd6 -","- C108 H155 Cs2 O12 P7 Pd6 -","- C432 H620 Cs8 O48 P28 Pd24 -","4","1","","Krämer, Felix; Kennedy, Alan; Fernandez, Israel; Mulvey, Robert E.","A Palladium Inverse Crown: Synthesis and Characterisation","Chemical Communications","2026","","","","","10.1039/D5CC06236E","","","1.54184","CuKα","","0.047","0.0435","","","0.1131","0.1155","","","","","","1.054","","","","has coordinates,has disorder","304149","2025-12-09","23:10:04",""
"7135330","13.5461","0.0003","3.8602","0.0001","46.3601","0.0009","90","","95.505","0.002","90","","2413.02","0.09","100.15","","100.15","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C15 H8 O2 S2 -","- C15 H8 O2 S2 -","- C120 H64 O16 S16 -","8","1","","Ueda, Masafumi; Uehara, Asuka; Usui, Kazuteru; Hasegawa, Masashi","A Folded Mechanochromic Organic Fluorophore Based on Thianthrene-Fused Coumarin","Chemical Communications","2026","","","","","10.1039/D5CC05320J","","x-ray","1.54184","CuKα","","0.0342","0.0329","","","0.0862","0.0873","","","","","","1.043","","","","has coordinates","304167","2025-12-10","22:56:20",""
"7135331","6.8001","0.0002","14.5918","0.0005","12.0415","0.0004","90","","94.287","0.003","90","","1191.48","0.07","100.15","","100.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H8 O2 S2 -","- C15 H8 O2 S2 -","- C60 H32 O8 S8 -","4","1","","Ueda, Masafumi; Uehara, Asuka; Usui, Kazuteru; Hasegawa, Masashi","A Folded Mechanochromic Organic Fluorophore Based on Thianthrene-Fused Coumarin","Chemical Communications","2026","","","","","10.1039/D5CC05320J","","x-ray","1.54184","CuKα","","0.047","0.0438","","","0.1282","0.1306","","","","","","1.097","","","","has coordinates","304167","2025-12-10","22:56:20",""
"7135332","15.4148","0.0001","16.6168","0.0001","15.9182","0.0001","90","","97.988","0.001","90","","4037.8","0.04","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H47 Au B21 P -","- C32 H47 Au B21 P -","- C128 H188 Au4 B84 P4 -","4","1","","Thornton, Ragene; French, Kirk; Shuford, Kevin; Martin, Caleb Daniel","Reactivity of Gold and Copper Acetylide with a Secondary Borane","Chemical Communications","2026","","","","","10.1039/D5CC06957B","","x-ray","1.54184","CuKα","","0.0375","0.0373","","","0.1037","0.1038","","","","","","1.0311","","","","has coordinates","304168","2025-12-10","22:58:39",""
"7135333","12.6977","0.0006","13.7024","0.0005","23.9248","0.001","90","","103.948","0.002","90","","4039.9","0.3","161","2","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H47 B21 Cu P -","- C32 H47 B21 Cu P -","- C128 H188 B84 Cu4 P4 -","4","1","","Thornton, Ragene; French, Kirk; Shuford, Kevin; Martin, Caleb Daniel","Reactivity of Gold and Copper Acetylide with a Secondary Borane","Chemical Communications","2026","","","","","10.1039/D5CC06957B","","","0.71073","MoKα","","0.0338","0.0312","","","0.0856","0.0875","","","","","","1.0444","","","","has coordinates,has disorder","304168","2025-12-10","22:58:39",""
"7135334","21.659","0.002","19.2095","0.0018","7.3318","0.0007","90","","97.873","0.006","90","","3021.7","0.5","213","2","213","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C42 H25 N3 S -","- C42 H25 N3 S -","- C168 H100 N12 S4 -","4","2","","Liu, Minglun; Zheng, Xiaoxue; Zhang, Min; Yao, Shankun; Zhang, Pan; Liang, Lili; Chen, Yuncong","Construction of a pyrene based AIEgen for ratiometric detection of trace water in organic solvents","Chemical Communications","2026","","","","","10.1039/D5CC05316A","","","1.34139","GaKα","","0.1257","0.1031","","","0.2437","0.2566","","","","","","1.066","","","","has coordinates","304176","2025-12-11","23:06:08",""
"7135335","35.6279","0.0017","7.9727","0.0004","15.4012","0.0007","90","","90","","90","","4374.7","0.4","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C24 H23 N3 O3 S -","- C24 H23 N3 O3 S -","- C192 H184 N24 O24 S8 -","8","1","","Hu, Chunyang; Liu, Zuquan; Li, Chenxing; Feng, Jianquan; Zhu, Yiwei; Du, Ding","Enantioselective Synthesis of N-Arylpyrrole Aldehydes via NHC-Organocatalytic Atroposelective Desymmetrization Followed by Kinetic Resolution","Chemical Communications","2026","","","","","10.1039/D5CC06389B","","x-ray","1.54184","CuKα","","0.1444","0.1043","","","0.2051","0.2229","","","","","","1.205","","","","has coordinates,has disorder","304177","2025-12-11","23:08:20",""
"7135336","9.9195","0.0007","10.2361","0.0006","10.9376","0.0008","106.469","0.006","105.026","0.006","103.433","0.006","970.91","0.13","293","","293","","","","","","","","","5","P -1","-P 1","2","","1","","- C25 H18 Br N O -","- C25 H18 Br N O -","- C50 H36 Br2 N2 O2 -","2","1","","Cui, Zhiyang; Sun, Honghao; Jin, Jingrong; Tang, Yi; Wang, Bo; Zhou, Leijie; Zheng, Bing; Zheng, Li; Guo, Hongchao","Tandem [2+4] annulation/aromatization reaction of yne-enones with <i>o</i>-sulfonamidobenzaldehydes.","Chemical communications (Cambridge, England)","2026","62","16","4774","4777","10.1039/d5cc06758h","","x-ray","0.71073","MoKα","","0.093","0.0507","","","0.1099","0.1318","","","","","","1.007","","","","has coordinates","304866","2026-03-05","12:16:39",""
"7135337","9.1227","0.0003","9.6393","0.0003","12.1","0.0003","103.32","0.002","93.697","0.001","117.161","0.001","903.37","0.05","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H24 N2 O2 -","- C22 H24 N2 O2 -","- C44 H48 N4 O4 -","2","1","","Wang, Jian; Chen, Shenglin; Sun, Daokuan; Shen, Yirui; Zhao, Yufen; Wu, Ju","Alternating current polarity for electrochemical <i>de novo</i> synthesis of 3,3'-bisoxindoles.","Chemical communications (Cambridge, England)","2026","62","18","5312","5316","10.1039/d6cc00044d","","","1.54178","CuKα","","0.0401","0.0364","","","0.0911","0.0936","","","","","","1.057","","","","has coordinates","305312","2026-04-05","11:44:14",""
"7135338","7.4607","0.0002","8.2686","0.0002","14.3732","0.0004","79.31","0.001","87.117","0.001","86.788","0.001","869.2","0.04","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H16 F4 N2 O2 -","- C20 H16 F4 N2 O2 -","- C40 H32 F8 N4 O4 -","2","1","","Wang, Jian; Chen, Shenglin; Sun, Daokuan; Shen, Yirui; Zhao, Yufen; Wu, Ju","Alternating current polarity for electrochemical <i>de novo</i> synthesis of 3,3'-bisoxindoles.","Chemical communications (Cambridge, England)","2026","62","18","5312","5316","10.1039/d6cc00044d","","","1.54178","CuKα","","0.0406","0.0356","","","0.0911","0.095","","","","","","0.9499","","","","has coordinates","305312","2026-04-05","11:44:14",""
"7135339","18.2616","0.0003","18.2616","0.0003","18.2616","0.0003","90","","90","","90","","6089.99","0.17","180","0.1","180","0.1","","","","","","","","6","I m -3 m","-I 4 2 3","229","","","","- C48 H96 F15 Ho6 I3 O24 -","- C48 H96 F14.9997 Ho6 I3 O24 -","- C96 H192 F29.9994 Ho12 I6 O48 -","2","0.0208333","","Li, Yangjuan; He, Miao; Gong, Yu","Synthesis of crown ether-capped highly symmetrical fluoride-centered lanthanide clusters [Ln<sub>6</sub>F<sub>13</sub>(12-crown-4)<sub>6</sub>]I<sub>3</sub>F<sub>2</sub> (Ln = Ho, Er).","Chemical communications (Cambridge, England)","2026","62","19","5433","5437","10.1039/d6cc00045b","","x-ray","0.71073","MoKα","","0.0504","0.0489","","","0.1788","0.1811","","","","","","0.9766","","","","has coordinates","305296","2026-04-05","11:40:14",""
"7135340","18.2915","0.0004","18.2915","0.0004","18.2915","0.0004","90","","90","","90","","6120","0.2","179.99","0.1","179.99","0.1","","","","","","","","6","I m -3 m","-I 4 2 3","229","","","","- C48 H96 Er6 F15 I3 O24 -","- C48 H96 Er6 F15.0004 I3 O24 -","- C96 H192 Er12 F30.0008 I6 O48 -","2","0.0208333","","Li, Yangjuan; He, Miao; Gong, Yu","Synthesis of crown ether-capped highly symmetrical fluoride-centered lanthanide clusters [Ln<sub>6</sub>F<sub>13</sub>(12-crown-4)<sub>6</sub>]I<sub>3</sub>F<sub>2</sub> (Ln = Ho, Er).","Chemical communications (Cambridge, England)","2026","62","19","5433","5437","10.1039/d6cc00045b","","x-ray","0.71073","MoKα","","0.063","0.0603","","","0.1859","0.1882","","","","","","1.149","","","","has coordinates","305296","2026-04-05","11:40:14",""
"7135341","10.3911","0.0003","10.7144","0.0003","26.1234","0.0007","90","","90","","90","","2908.43","0.14","180","0.1","180","0.1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C18 H35 B3 F12 Ho N O8 -","- C18 H35 B3 F12 Ho N O8 -","- C72 H140 B12 F48 Ho4 N4 O32 -","4","1","","Li, Yangjuan; He, Miao; Gong, Yu","Synthesis of crown ether-capped highly symmetrical fluoride-centered lanthanide clusters [Ln<sub>6</sub>F<sub>13</sub>(12-crown-4)<sub>6</sub>]I<sub>3</sub>F<sub>2</sub> (Ln = Ho, Er).","Chemical communications (Cambridge, England)","2026","62","19","5433","5437","10.1039/d6cc00045b","","x-ray","0.71073","MoKα","","0.0334","0.0304","","","0.078","0.0794","","","","","","1.091","","","","has coordinates,has disorder","305296","2026-04-05","11:40:14",""
"7135342","10.9982","0.0009","14.4252","0.0012","15.7174","0.0013","91.496","0.002","98.37","0.002","108.461","0.002","2333.1","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C55 H65 Be N S2 -","- C55 H65 Be N S2 -","- C110 H130 Be2 N2 S4 -","2","1","","Tröster, Tobias; Saha, Koushik; Roy, Dipak Kumar; Dewhurst, Rian D.; Braunschweig, Holger","Ring expansion of an antiaromatic beryllole: synthesis of novel five-, seven- and nine-membered beryllacycles.","Chemical communications (Cambridge, England)","2026","62","17","5032","5036","10.1039/d5cc05783c","","","0.71073","MoKα","","0.0805","0.05","","","0.1172","0.1345","","","","","","1.026","","","","has coordinates,has disorder","304862","2026-03-05","12:12:50",""
"7135343","12.06","0.003","13.36","0.003","15.212","0.003","95.952","0.005","111.349","0.005","101.372","0.005","2196.3","0.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C103 H110 Be2 N2 S4 -","- C103 H110 Be2 N2 S4 -","- C103 H110 Be2 N2 S4 -","1","0.5","","Tröster, Tobias; Saha, Koushik; Roy, Dipak Kumar; Dewhurst, Rian D.; Braunschweig, Holger","Ring expansion of an antiaromatic beryllole: synthesis of novel five-, seven- and nine-membered beryllacycles.","Chemical communications (Cambridge, England)","2026","62","17","5032","5036","10.1039/d5cc05783c","","x-ray","0.71073","MoKα","K-L~2,3~","0.1119","0.0614","","","0.1338","0.156","","","","","","1.023","","","","has coordinates,has disorder","304862","2026-03-05","12:12:51",""
"7135344","14.361","0.005","15.539","0.007","18.59","0.005","82.622","0.008","67.945","0.015","64.377","0.008","3464","2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C77 H76 Be Br4 N7 -","- C77 H76 Be Br4 N7 -","- C154 H152 Be2 Br8 N14 -","2","1","","Tröster, Tobias; Saha, Koushik; Roy, Dipak Kumar; Dewhurst, Rian D.; Braunschweig, Holger","Ring expansion of an antiaromatic beryllole: synthesis of novel five-, seven- and nine-membered beryllacycles.","Chemical communications (Cambridge, England)","2026","62","17","5032","5036","10.1039/d5cc05783c","","","0.71073","MoKα","","0.0302","0.0244","","","0.0594","0.0617","","","","","","1.035","","","","has coordinates","304862","2026-03-05","12:12:51",""
"7135345","16.2072","0.0008","10.3142","0.0003","19.731","0.0009","90","","111.967","0.005","90","","3058.9","0.2","100","2","100","0.11","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H36 Be O2 S2 -","- C36 H36 Be O2 S2 -","- C144 H144 Be4 O8 S8 -","4","1","","Tröster, Tobias; Saha, Koushik; Roy, Dipak Kumar; Dewhurst, Rian D.; Braunschweig, Holger","Ring expansion of an antiaromatic beryllole: synthesis of novel five-, seven- and nine-membered beryllacycles.","Chemical communications (Cambridge, England)","2026","62","17","5032","5036","10.1039/d5cc05783c","","","1.54184","CuKα","","0.0683","0.0567","","","0.1576","0.1653","","","","","","1.083","","","","has coordinates,has disorder","304862","2026-03-05","12:12:51",""
"7135346","20.2312","0.0001","12.8953","0.0001","16.6996","0.0001","90","","94.553","0.001","90","","4342.97","0.05","100","2","100","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C54 H60 B2 Be N2 -","- C54 H60 B2 Be N2 -","- C216 H240 B8 Be4 N8 -","4","0.5","","Tröster, Tobias; Saha, Koushik; Roy, Dipak Kumar; Dewhurst, Rian D.; Braunschweig, Holger","Ring expansion of an antiaromatic beryllole: synthesis of novel five-, seven- and nine-membered beryllacycles.","Chemical communications (Cambridge, England)","2026","62","17","5032","5036","10.1039/d5cc05783c","","","1.54184","CuKα","","0.0415","0.0404","","","0.1044","0.1052","","","","","","1.041","","","","has coordinates,has disorder","304862","2026-03-05","12:12:51",""
"7135347","20.2872","0.0009","20.8753","0.001","9.1499","0.0004","90","","102.409","0.004","90","","3784.5","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H44 N2 O2 S2 -","- C45 H44 N2 O2 S2 -","- C180 H176 N8 O8 S8 -","4","1","","Kurek, Eléonore; Dal Pra, Ophélie; Skrzypczak, Aliocha; Massip, Stéphane; Daniel, Jonathan; Blanchard-Desce, Mireille; Grazon, Chloé","One spiro to shift them all: tuning fluorescent organic nanoparticles emission <i>via</i> steric design.","Chemical communications (Cambridge, England)","2026","62","18","5271","5274","10.1039/d5cc06995e","","","1.54184","CuKα","","0.083","0.049","","","0.1065","0.1179","","","","","","1.007","","","","has coordinates","305313","2026-04-05","11:44:19",""
"7135348","30.466","0.004","9.8067","0.0014","31.955","0.008","90","","90","","90","","9547","3","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C55 H64 N2 O2 S2 -","- C55 H64 N2 O2 S2 -","- C440 H512 N16 O16 S16 -","8","1","","Kurek, Eléonore; Dal Pra, Ophélie; Skrzypczak, Aliocha; Massip, Stéphane; Daniel, Jonathan; Blanchard-Desce, Mireille; Grazon, Chloé","One spiro to shift them all: tuning fluorescent organic nanoparticles emission <i>via</i> steric design.","Chemical communications (Cambridge, England)","2026","62","18","5271","5274","10.1039/d5cc06995e","","","1.54184","CuKα","","0.2472","0.0849","","","0.157","0.2163","","","","","","0.983","","","","has coordinates","305313","2026-04-05","11:44:19",""
"7135349","6.479","0.003","11.334","0.005","11.614","0.005","105.371","0.009","96.16","0.01","97.443","0.01","806.4","0.6","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C8 H2 N18 O6 -","- C8 H2 N18 O6 -","- C16 H4 N36 O12 -","2","1","","Kukreja, Sonali; Yadav, Abhishek Kumar; Dharavath, Srinivas","4,5-Diazido-6-nitropyridazin-3(2<i>H</i>)-one: a versatile nitrogen-rich compound for multifaceted energetic applications.","Chemical communications (Cambridge, England)","2026","62","17","4986","4990","10.1039/d6cc00109b","","","0.71073","MoKα","","0.1084","0.0645","","","0.1486","0.173","","","","","","1.023","","","","has coordinates","304864","2026-03-05","12:13:41",""
"7135350","10.2442","0.0002","10.4061","0.0003","19.7416","0.0005","85.184","0.002","80.187","0.002","68.756","0.002","1932.23","0.09","120","0.1","120","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C49 H35 Cl3 N4 -","- C49 H35 Cl3 N4 -","- C98 H70 Cl6 N8 -","2","1","","Zhang, Ying; Sha, Renmanduhu; Gong, Jianye; Liu, Lingxiu; Feng, Lina; Zhang, Weijing; Jiang, Guoyu; Wang, Jianguo","The anion-π<sup>+</sup> interaction strategy enhances the PDT antibacterial performance of AIE-active photosensitizers.","Chemical communications (Cambridge, England)","2026","62","18","5326","5330","10.1039/d5cc07430d","","x-ray","1.54184","CuKα","","0.0496","0.0425","","","0.1123","0.1167","","","","","","1.03","","","","has coordinates","305308","2026-04-05","11:43:19",""
"7135351","20.1429","0.0011","10.8615","0.0005","22.1765","0.0014","90","","109.655","0.007","90","","4569.1","0.5","149.99","0.1","149.99","0.1","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C57 H54 Br0.92 N4 O4 -","- C49 H38 Br0.9209 N4 -","- C196 H152 Br3.6836 N16 -","4","1","","Zhang, Ying; Sha, Renmanduhu; Gong, Jianye; Liu, Lingxiu; Feng, Lina; Zhang, Weijing; Jiang, Guoyu; Wang, Jianguo","The anion-π<sup>+</sup> interaction strategy enhances the PDT antibacterial performance of AIE-active photosensitizers.","Chemical communications (Cambridge, England)","2026","62","18","5326","5330","10.1039/d5cc07430d","","x-ray","1.54184","CuKα","","0.1078","0.0837","","","0.238","0.2662","","","","","","1.058","","","","has coordinates,has disorder","305308","2026-04-05","11:43:19",""
"7135352","11.0375","0.0006","8.4725","0.0005","48.75","0.004","90","","90.538","0.007","90","","4558.7","0.5","219.98","0.1","219.98","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H54 Br2 N4 O4 -","- C51 H42 Br2 N4 O -","- C204 H168 Br8 N16 O4 -","4","1","","Zhang, Ying; Sha, Renmanduhu; Gong, Jianye; Liu, Lingxiu; Feng, Lina; Zhang, Weijing; Jiang, Guoyu; Wang, Jianguo","The anion-π<sup>+</sup> interaction strategy enhances the PDT antibacterial performance of AIE-active photosensitizers.","Chemical communications (Cambridge, England)","2026","62","18","5326","5330","10.1039/d5cc07430d","","","1.54184","CuKα","","0.0836","0.0605","","","0.1427","0.158","","","","","","1.033","","","","has coordinates","305308","2026-04-05","11:43:19",""
"7135353","11.5616","0.0012","11.8002","0.0012","16.2436","0.0017","75.419","0.002","70.756","0.002","66.803","0.002","1904","0.3","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C74 H104 La2 N6 Ni2 O2 P4 -","- C74 H104 La2 N6 Ni2 O2 P4 -","- C74 H104 La2 N6 Ni2 O2 P4 -","1","0.5","","He, Xiuyan; Wu, Changjiang; Hong, Dongjing; Fang, Huayi; Cui, Peng","A tetranuclear lanthanum-nickel hydrido complex supported by an arene-anchored bis(phosphinomethylamido) ligand.","Chemical communications (Cambridge, England)","2026","62","12","3807","3810","10.1039/d5cc06726j","","x-ray","0.71073","MoKα","","0.0886","0.0583","","","0.1484","0.163","","","","","","1.114","","","","has coordinates,has disorder","304411","2026-02-13","12:04:36",""
"7135354","10.1638","0.0014","12.7284","0.0017","20.816","0.004","104.653","0.003","104.046","0.003","96.32","0.002","2484.9","0.7","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H69 La N4 Ni P2 -","- C48 H69 La N4 Ni P2 -","- C96 H138 La2 N8 Ni2 P4 -","2","1","","He, Xiuyan; Wu, Changjiang; Hong, Dongjing; Fang, Huayi; Cui, Peng","A tetranuclear lanthanum-nickel hydrido complex supported by an arene-anchored bis(phosphinomethylamido) ligand.","Chemical communications (Cambridge, England)","2026","62","12","3807","3810","10.1039/d5cc06726j","","x-ray","0.71073","MoKα","","0.068","0.0553","","","0.1663","0.1737","","","","","","1.075","","","","has coordinates,has disorder","304411","2026-02-13","12:04:38",""
"7135355","10.7419","0.0016","12.0017","0.0017","17.493","0.003","98.31","0.002","91.12","0.002","113.988","0.002","2031.1","0.5","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H59 La N4 Ni P2 -","- C39 H59 La N4 Ni P2 -","- C78 H118 La2 N8 Ni2 P4 -","2","1","","He, Xiuyan; Wu, Changjiang; Hong, Dongjing; Fang, Huayi; Cui, Peng","A tetranuclear lanthanum-nickel hydrido complex supported by an arene-anchored bis(phosphinomethylamido) ligand.","Chemical communications (Cambridge, England)","2026","62","12","3807","3810","10.1039/d5cc06726j","","x-ray","0.71073","MoKα","","0.0537","0.0406","","","0.102","0.1072","","","","","","1.072","","","","has coordinates","304411","2026-02-13","12:04:39",""
"7135356","10.29","0.0015","11.7435","0.0017","16.775","0.002","77.377","0.002","84.43","0.002","84.471","0.002","1962.9","0.5","293.15","","293.15","","","","","","","","","6","P -1","-P 1","2","","","","- C76 H100 I2 La2 N4 P4 -","- C76 H100 I2 La2 N4 P4 -","- C76 H100 I2 La2 N4 P4 -","1","0.5","","He, Xiuyan; Wu, Changjiang; Hong, Dongjing; Fang, Huayi; Cui, Peng","A tetranuclear lanthanum-nickel hydrido complex supported by an arene-anchored bis(phosphinomethylamido) ligand.","Chemical communications (Cambridge, England)","2026","62","12","3807","3810","10.1039/d5cc06726j","","x-ray","0.71073","MoKα","","0.1203","0.0557","","","0.0813","0.0972","","","","","","1.006","","","","has coordinates,has disorder","304411","2026-02-13","12:04:40",""
"7135357","11.364","0.014","13.293","0.015","14.6","0.016","79.748","0.013","71.941","0.015","67.907","0.014","1938","4","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C76 H100 I2 La2 N4 Ni2 P4 -","- C76 H100 I2 La2 N4 Ni2 P4 -","- C76 H100 I2 La2 N4 Ni2 P4 -","1","0.5","","He, Xiuyan; Wu, Changjiang; Hong, Dongjing; Fang, Huayi; Cui, Peng","A tetranuclear lanthanum-nickel hydrido complex supported by an arene-anchored bis(phosphinomethylamido) ligand.","Chemical communications (Cambridge, England)","2026","62","12","3807","3810","10.1039/d5cc06726j","","x-ray","0.71073","MoKα","","0.0647","0.0461","","","0.1192","0.1295","","","","","","0.969","","","","has coordinates,has disorder","304411","2026-02-13","12:04:41",""
"7135358","12.8479","0.0005","20.5016","0.0007","14.9962","0.0006","90","","112.053","0.001","90","","3661","0.2","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C78 H106 La2 N4 Ni2 P4 -","- C78 H106 La2 N4 Ni2 P4 -","- C156 H212 La4 N8 Ni4 P8 -","2","0.5","","He, Xiuyan; Wu, Changjiang; Hong, Dongjing; Fang, Huayi; Cui, Peng","A tetranuclear lanthanum-nickel hydrido complex supported by an arene-anchored bis(phosphinomethylamido) ligand.","Chemical communications (Cambridge, England)","2026","62","12","3807","3810","10.1039/d5cc06726j","","x-ray","0.71073","MoKα","","0.0301","0.0239","","","0.0582","0.0613","","","","","","1.042","","","","has coordinates,has disorder","304411","2026-02-13","12:04:42",""
"7135359","11.0776","0.0007","17.6945","0.0012","19.544","0.0011","90","","91.566","0.002","90","","3829.4","0.4","296.15","","296.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36 H52 I La N2 O P2 -","- C36 H52 I La N2 O P2 -","- C144 H208 I4 La4 N8 O4 P8 -","4","1","","He, Xiuyan; Wu, Changjiang; Hong, Dongjing; Fang, Huayi; Cui, Peng","A tetranuclear lanthanum-nickel hydrido complex supported by an arene-anchored bis(phosphinomethylamido) ligand.","Chemical communications (Cambridge, England)","2026","62","12","3807","3810","10.1039/d5cc06726j","","x-ray","0.71073","MoKα","","0.0619","0.0385","","","0.0749","0.084","","","","","","1.103","","","","has coordinates,has disorder","304411","2026-02-13","12:04:42",""
"7135360","12.339","0.003","6.4087","0.0016","14.207","0.003","90","","102.801","0.007","90","","1095.5","0.4","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H2 N28 O2 -","- C14 H4 N28 O2 -","- C28 H8 N56 O4 -","2","0.5","","Jujam, Manojkumar; Ghule, Vikas D.; Dharavath, Srinivas","Catenated nitrogen-rich triazine-tetrazole molecules for advanced explosives and gas-generator applications.","Chemical communications (Cambridge, England)","2026","62","17","4991","4995","10.1039/d6cc00152a","","","0.71073","MoKα","","0.0839","0.0498","","","0.1057","0.122","","","","","","1.058","","","","has coordinates","304863","2026-03-05","12:13:21",""
"7135361","5.12","0.0006","13.3302","0.0016","13.9482","0.0017","80.226","0.004","88.777","0.004","80.059","0.004","924.04","0.19","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C11 H15 N11 O4 S2 -","- C11 H15 N11 O4 S2 -","- C22 H30 N22 O8 S4 -","2","1","","Jujam, Manojkumar; Ghule, Vikas D.; Dharavath, Srinivas","Catenated nitrogen-rich triazine-tetrazole molecules for advanced explosives and gas-generator applications.","Chemical communications (Cambridge, England)","2026","62","17","4991","4995","10.1039/d6cc00152a","","","0.71073","MoKα","","0.0445","0.0376","","","0.1034","0.1121","","","","","","1.0215","","","","has coordinates","304863","2026-03-05","12:13:26",""
"7135362","12.924","0.0003","12.924","0.0003","15.1974","0.0005","90","","90","","120","","2198.33","0.1","273.15","","273.15","","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- B15 Na2.89 O30 Rb4.11 Sc2.01 Sr0.99 -","- B15 Na2.89 O30 Rb4.11 Sc2.01 Sr0.99 -","- B45 Na8.67 O90 Rb12.33 Sc6.03 Sr2.97 -","3","0.166667","","Liu, Zelong; Zhao, Huijian; Xu, Longyun; Jia, Ning; Ye, Ning; Hu, Zhanggui; Li, Conggang","Two scandium borate UV NLO crystals designed through chemical element substitution.","Chemical communications (Cambridge, England)","2026","62","15","4610","4614","10.1039/d6cc00244g","","","0.71073","MoKα","","0.0478","0.0358","","","0.0706","0.0757","","","","","","1.056","","","","has coordinates,has disorder","304867","2026-03-05","12:17:33",""
"7135363","12.8969","0.0013","12.8969","0.0013","14.891","0.002","90","","90","","120","","2145","0.4","273.15","","273.15","","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- B15 Na4.01 O30 Rb2.99 Sc2.22 Sr0.78 -","- B15 Na4.003 O30 Rb2.997 Sc2.21 Sr0.79 -","- B45 Na12.009 O90 Rb8.991 Sc6.63 Sr2.37 -","3","0.166667","","Liu, Zelong; Zhao, Huijian; Xu, Longyun; Jia, Ning; Ye, Ning; Hu, Zhanggui; Li, Conggang","Two scandium borate UV NLO crystals designed through chemical element substitution.","Chemical communications (Cambridge, England)","2026","62","15","4610","4614","10.1039/d6cc00244g","","","0.71073","MoKα","","0.0962","0.0543","","","0.0926","0.1072","","","","","","1.037","","","","has coordinates,has disorder","304867","2026-03-05","12:17:33",""
"7135364","17.5131","0.0016","8.7986","0.0007","9.6977","0.0007","90","","105.755","0.006","90","","1438.2","0.2","102","2","102","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Zinc diaminotriazolato carbonate","Zinc-diaminotriazolato-carbonate","","- C H N O Zn -","- C1.25 H2 N2.5 O1.25 Zn0.5 -","- C20 H32 N40 O20 Zn8 -","16","2","","Song, Ping; Wilkins, Nicholas Stiles; Taheri-Qazvini, Omid; Adeleke, Adebayo A.; Moghaddam, Alireza Lotfollahzade; Amirani, Morteza Chehel; Srinivasan, Karthik; Masoumifard, Nima; Ramanathan, Vaidhyanathan","Understanding the potential of a new zinc-triazolato-carbonate metal-organic framework for humid CO<sub>2</sub> capture processes.","Chemical communications (Cambridge, England)","2026","62","19","5523","5526","10.1039/d5cc05467b","","","1.54178","CuKα","","0.0763","0.0665","","","0.1462","0.1477","","","","","","1.247","","","","has coordinates","305294","2026-04-05","11:39:55",""
"7135365","17.5097","0.0003","8.9985","0.0002","9.905","0.0002","90","","108.729","0.001","90","","1478","0.05","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Zinc 3-Amino-5-methyl-1,2,4-triazolato carbonate","Zinc 3-Amino-5-methyl-1,2,4-triazolato carbonate","","- C7 H10 N8 O3 Zn2 -","- C7 H10 N8 O3 Zn2 -","- C28 H40 N32 O12 Zn8 -","4","0.5","","Song, Ping; Wilkins, Nicholas Stiles; Taheri-Qazvini, Omid; Adeleke, Adebayo A.; Moghaddam, Alireza Lotfollahzade; Amirani, Morteza Chehel; Srinivasan, Karthik; Masoumifard, Nima; Ramanathan, Vaidhyanathan","Understanding the potential of a new zinc-triazolato-carbonate metal-organic framework for humid CO<sub>2</sub> capture processes.","Chemical communications (Cambridge, England)","2026","62","19","5523","5526","10.1039/d5cc05467b","","","1.54178","CuKα","","0.0393","0.0385","","","0.1436","0.1468","","","","","","1.148","","","","has coordinates","305294","2026-04-05","11:39:55",""
"7135366","8.2646","0.0009","9.3254","0.0011","17.716","0.002","88.548","0.005","77.438","0.006","69.538","0.004","1246.7","0.2","110","","110","","","","","","","","","5","P -1","-P 1","2","","","","- C29 H23.4 B F8.6 Rh -","- C29 H23.4 B F8.6 Rh -","- C58 H46.8 B2 F17.2 Rh2 -","2","1","","Addison, Emily J.; Zurakowski, Joseph A.; Boyle, Paul D.; Nelson, David J.; Drover, Marcus W.","From borane to metal-bound boraindene: a cascade of bond breaking and making at rhodium.","Chemical communications (Cambridge, England)","2026","62","21","5871","5874","10.1039/d6cc00158k","","","0.71073","MoKα","","0.0446","0.0333","","","0.0652","0.0678","","","","","","0.957","","","","has coordinates,has disorder","305319","2026-04-05","11:45:33",""
"7135367","5.5223","0.0001","8.7061","0.0003","29.2709","0.0009","90","","90","","90","","1407.28","0.07","159.91","","159.91","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H15 N O S -","- C18 H15 N O S -","- C72 H60 N4 O4 S4 -","4","1","","Ahashan, Sk Jubayar; Maji, Kousik; Kabir, Syed Ramizul; Dash, Jyotirmayee","Synthesis of thieno[2,3-<i>b</i>]indoles by Cloke-Wilson rearrangement of spiro donor-acceptor cyclopropanes.","Chemical communications (Cambridge, England)","2026","62","12","3861","3865","10.1039/d5cc06215b","","x-ray","0.71073","MoKα","","0.0522","0.042","","","0.1013","0.1102","","","","","","1.062","","","","has coordinates","304416","2026-02-13","12:06:54",""
"7135368","18.576","0.0002","13.694","0.0001","24.8877","0.0003","90","","111.155","0.001","90","","5904.27","0.11","93.15","","93.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C80 H53 B2 N3 O2 -","- C80 H53 B2 N3 O2 -","- C320 H212 B8 N12 O8 -","4","1","","Song, Yunyi; Yokoyama, Hiromichi; Shoji, Yoshiaki; Sakai, Hayato; Hasobe, Taku; Fukushima, Takanori","Gate-opening cooperative methanol binding to multi-bladed benzenes bearing 1,2-diboryl functionality.","Chemical communications (Cambridge, England)","2026","62","12","3889","3892","10.1039/d5cc06166k","","x-ray","1.54184","CuKα","","0.0635","0.0539","","","0.154","0.164","","","","","","1.0531","","","","has coordinates","304417","2026-02-13","12:07:29",""
"7135369","11.9419","0.0001","12.3816","0.0001","18.7832","0.0002","90","","92.574","0.001","90","","2774.48","0.04","149.99","0.11","149.99","0.11","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C31 H33 F N2 Ni O S -","- C31 H33 F N2 Ni O S -","- C124 H132 F4 N8 Ni4 O4 S4 -","4","1","","Lindenmaier, Ivo H.; Richter, Robert C.; Renz, Liesa; Vochezer, Mattis T.; Schier, Marius; Faßnacht, Pascal; Ströbele, Markus; Fleischer, Ivana","Nickel-catalyzed cross-electrophile-coupling of thioesters with alkyl bromides to form ketones under mechanochemical conditions.","Chemical communications (Cambridge, England)","2026","62","18","5284","5288","10.1039/d6cc00297h","","x-ray","1.54184","CuKα","","0.0252","0.0222","","","0.0556","0.0571","","","","","","1.0428","","","","has coordinates,has disorder","305311","2026-04-05","11:43:56",""
"7135370","13.1647","0.0003","9.6045","0.0002","15.8224","0.0004","90","","113.961","0.003","90","","1828.18","0.08","173.01","0.1","173.01","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H25 Cl2 N O -","- C18 H25 Cl2 N O -","- C72 H100 Cl8 N4 O4 -","4","2","","Asano, Ren; Nonami, Reina; Hamasaki, Hina; Kanemoto, Kazuya; Fujita, Harunori; Yamamoto, Kaisei; Seki, Tomohiro; Shibatomi, Kazutaka; Kuwahara, Shunsuke; Shirai, Tomohiko","Cationic iridium-catalyzed enantioselective decarboxylative aryl addition of aromatic carboxylic acids to bicyclic alkenes.","Chemical communications (Cambridge, England)","2026","62","22","6096","6100","10.1039/d6cc00389c","","x-ray","1.54184","CuKα","","0.0504","0.0436","","","0.1098","0.1151","","","","","","1.051","","","","has coordinates","305290","2026-04-05","11:37:16",""
"7135371","15.7197","0.001","14.6804","0.0011","16.6983","0.0012","90","","95.935","0.002","90","","3832.8","0.5","150","2","150.01","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H37 B F15 P -","- C39 H37 B F15 P -","- C156 H148 B4 F60 P4 -","4","1","","Goraya, Armaan; McCahill, Jenny; Ajithkumar, V. S.; Bedi, Vaibhav; Ruhlandt, Karin; Stephan, Douglas W.","Beyond FLP additions: FLP deprotonation and C-O bond cleavage of aliphatic, aryl and ester derived olefins.","Chemical communications (Cambridge, England)","2026","62","19","5531","5535","10.1039/d6cc00412a","","","0.71073","MoKα","","0.077","0.0442","","","0.098","0.1097","","","","","","1.014","","","","has coordinates","305751","2026-05-05","08:44:08",""
"7135372","12.5198","0.0008","12.5678","0.0009","18.6747","0.0013","81.71","0.002","81.998","0.002","88.438","0.002","2879.3","0.3","150","2","150.01","","","","","","","","","7","P -1","-P 1","2","","","","- C55 H39 B2 Cl2 F30 O2 P -","- C55 H39 B2 Cl2 F30 O2 P -","- C110 H78 B4 Cl4 F60 O4 P2 -","2","1","","Goraya, Armaan; McCahill, Jenny; Ajithkumar, V. S.; Bedi, Vaibhav; Ruhlandt, Karin; Stephan, Douglas W.","Beyond FLP additions: FLP deprotonation and C-O bond cleavage of aliphatic, aryl and ester derived olefins.","Chemical communications (Cambridge, England)","2026","62","19","5531","5535","10.1039/d6cc00412a","","","0.71073","MoKα","","0.0514","0.0379","","","0.096","0.102","","","","","","1.053","","","","has coordinates,has disorder","305751","2026-05-05","08:44:08",""
"7135373","31.918","0.003","11.1232","0.0009","25.038","0.002","90","","100.385","0.002","90","","8743.6","1.3","149.99","","149.99","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H61 B F15 P -","- C40 H47 B F15 P -","- C320 H376 B8 F120 P8 -","8","1","","Goraya, Armaan; McCahill, Jenny; Ajithkumar, V. S.; Bedi, Vaibhav; Ruhlandt, Karin; Stephan, Douglas W.","Beyond FLP additions: FLP deprotonation and C-O bond cleavage of aliphatic, aryl and ester derived olefins.","Chemical communications (Cambridge, England)","2026","62","19","5531","5535","10.1039/d6cc00412a","","","0.71073","MoKα","","0.0637","0.0482","","","0.1325","0.144","","","","","","1.049","","","","has coordinates","305751","2026-05-05","08:44:08",""
"7135374","13.1112","0.0015","13.1605","0.0015","15.0066","0.0017","99.437","0.003","91.072","0.003","118.514","0.002","2230.4","0.4","150.01","","150.01","","","","","","","","","7","P -1","-P 1","2","","","","- C36.65 H36.9 B Cl5.7 F15 O2 P -","- C35.75 H36 B Cl3 F15 O2 P -","- C71.5 H72 B2 Cl6 F30 O4 P2 -","2","1","","Goraya, Armaan; McCahill, Jenny; Ajithkumar, V. S.; Bedi, Vaibhav; Ruhlandt, Karin; Stephan, Douglas W.","Beyond FLP additions: FLP deprotonation and C-O bond cleavage of aliphatic, aryl and ester derived olefins.","Chemical communications (Cambridge, England)","2026","62","19","5531","5535","10.1039/d6cc00412a","","","0.71073","MoKα","","0.111","0.0804","","","0.2459","0.2647","","","","","","1.034","","","","has coordinates,has disorder","305751","2026-05-05","08:44:08",""
"7135375","35.508","0.008","16.827","0.004","23.878","0.005","90","","105.967","0.005","90","","13717","5","149.98","","149.98","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C62 H45 B2 Cl6 F30 O2 P -","- C59 H39 B2 F30 O2 P -","- C472 H312 B16 F240 O16 P8 -","8","1","","Goraya, Armaan; McCahill, Jenny; Ajithkumar, V. S.; Bedi, Vaibhav; Ruhlandt, Karin; Stephan, Douglas W.","Beyond FLP additions: FLP deprotonation and C-O bond cleavage of aliphatic, aryl and ester derived olefins.","Chemical communications (Cambridge, England)","2026","62","19","5531","5535","10.1039/d6cc00412a","","","0.71073","MoKα","","0.1975","0.0826","","","0.2163","0.2615","","","","","","0.8418","","","","has coordinates","305751","2026-05-05","08:44:08",""
"7135376","34.921","0.003","5.8632","0.0006","24.09","0.003","90","","131.034","0.005","90","","3720.6","0.7","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H23 N O2 S2 -","- C19 H23 N O2 S2 -","- C152 H184 N8 O16 S16 -","8","1","","Dalai, Pallaba Ganjan; Barik, Dinabandhu; Manna, Supriya; Lokesh, Allu; Patel, Bhisma K.","Visible-light-mediated β,β-thio- and selenosulfonylation of <i>N</i>-ethyl tertiary amines.","Chemical communications (Cambridge, England)","2026","62","13","4076","4079","10.1039/d6cc00112b","","","0.71073","MoKα","","0.0867","0.0691","","","0.1955","0.2122","","","","","","1.553","","","","has coordinates","304469","2026-02-17","22:58:05",""
"7135377","19.623","0.002","14.1656","0.0015","32.426","0.004","90","","101.462","0.002","90","","8833.7","1.7","113","2","113.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","alpha-CoOX1","alpha-CoOX1","","- C84 H91 Cl3 Co N10 O4 -","- C84 H91 Cl3 Co N10 O4 -","- C336 H364 Cl12 Co4 N40 O16 -","4","1","","Maji, Subrata; Gupta, Prachi; Clowes, Rob; Matsushita, Yoshitaka; Shrestha, Lok Kumar; Slater, Anna G.; Hill, Jonathan P.; Chahal, Mandeep K.","Central-metal-cation-based modulation of gas adsorption selectivity in porous tetrapyrrolic materials.","Chemical communications (Cambridge, England)","2026","62","18","5227","5231","10.1039/d5cc06796k","","","1.54178","CuKα","","0.0771","0.0701","","","0.1933","0.2006","","","","","","1.052","","","","has coordinates","305307","2026-04-05","11:42:58",""
"7135378","19.665","0.003","13.997","0.002","32.546","0.005","90","","100.624","0.004","90","","8805","2","113","2","113.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","alpha-CuOX1","alpha-CuOX1","","- C84.85 H91.85 Cl5.55 Cu N10 O4 -","- C84.85 H91.85 Cl5.55 Cu N10 O4 -","- C339.4 H367.4 Cl22.2 Cu4 N40 O16 -","4","1","","Maji, Subrata; Gupta, Prachi; Clowes, Rob; Matsushita, Yoshitaka; Shrestha, Lok Kumar; Slater, Anna G.; Hill, Jonathan P.; Chahal, Mandeep K.","Central-metal-cation-based modulation of gas adsorption selectivity in porous tetrapyrrolic materials.","Chemical communications (Cambridge, England)","2026","62","18","5227","5231","10.1039/d5cc06796k","","","1.54178","CuKα","","0.1379","0.1234","","","0.3586","0.3806","","","","","","1.758","","","","has coordinates","305307","2026-04-05","11:42:58",""
"7135379","11.144","0.007","12.154","0.008","12.562","0.008","83.54","0.02","87.11","0.02","86.504","0.017","1685.9","1.9","150","2","150","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C39 H52 N2 O5 Ru -","- C39 H52 N2 O5 Ru -","- C78 H104 N4 O10 Ru2 -","2","1","","Casalta, Clément; Morvan, Fanny; Colombel-Rouen, Sophie; Roisnel, Thierry; Jazzar, Rodolphe; Doppiu, Angelino; Mauduit, Marc","Design, synthesis and reactivity of <i>N</i>-adamantyl cyclometalated cyclic(alkyl)(amino)carbene ruthenium complexes in <i>Z</i>-selective olefin metathesis.","Chemical communications (Cambridge, England)","2026","62","13","4099","4102","10.1039/d5cc06689a","","x-ray","0.71073","MoKα","","0.0621","0.0536","","","0.1079","0.1118","","","","","","1.064","","","","has coordinates","304471","2026-02-17","22:59:02",""
"7135380","11.2496","0.0008","20.1871","0.0018","29.943","0.003","90","","90","","90","","6800","1","150","2","150","2","","","","","","","synthesis as described","6","P b c a","-P 2ac 2ab","61","","","","- C36 H46 Cl5 N O Ru -","- C35 H45 Cl2 N O Ru -","- C280 H360 Cl16 N8 O8 Ru8 -","8","1","","Casalta, Clément; Morvan, Fanny; Colombel-Rouen, Sophie; Roisnel, Thierry; Jazzar, Rodolphe; Doppiu, Angelino; Mauduit, Marc","Design, synthesis and reactivity of <i>N</i>-adamantyl cyclometalated cyclic(alkyl)(amino)carbene ruthenium complexes in <i>Z</i>-selective olefin metathesis.","Chemical communications (Cambridge, England)","2026","62","13","4099","4102","10.1039/d5cc06689a","","x-ray","0.71073","MoKα","","0.0505","0.0468","","","0.0886","0.09","","","","","","1.257","","","","has coordinates","304471","2026-02-17","22:59:02",""
"7135381","7.36","0.005","10.914","0.005","28.239","0.005","90","0.005","90","0.005","90","0.005","2268.4","1.9","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H27 N O4 S -","- C26 H27 N O4 S -","- C104 H108 N4 O16 S4 -","4","1","","Khaitan, Bhavya; Panda, Sangram Keshari; Gandhi, Shikha","Diastereoselective intramolecular <i>O</i>-allylation with alkynes using palladium/Brønsted acid combined catalysis: access to substituted chiral oxazolidines.","Chemical communications (Cambridge, England)","2026","62","18","5289","5292","10.1039/d6cc00614k","","x-ray","0.71073","MoKα","","0.0293","0.0279","","","0.0711","0.0723","","","","","","1.0376","","","","has coordinates","305310","2026-04-05","11:43:42",""
"7135382","10.9319","0.0002","12.8338","0.0002","13.0162","0.0002","118.405","0.002","108.271","0.002","94.015","0.001","1471.87","0.06","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C29 H28 Cl3 N O8 S -","- C29 H28 Cl3 N O8 S -","- C58 H56 Cl6 N2 O16 S2 -","2","1","","Tang, Zhicheng; Liu, Mingyang; Yang, Xiuran; Zhong, Zhuang; Liu, Sensheng; Zhou, Haifeng","Photochemical HAT-mediated site-selective C(sp<sup>3</sup>)-H aminoalkylation of cubanes catalyzed by TBADT.","Chemical communications (Cambridge, England)","2026","62","13","4059","4062","10.1039/d5cc07169k","","x-ray","1.54184","CuKα","","0.0513","0.0505","","","0.1368","0.1376","","","","","","1.066","","","","has coordinates","304473","2026-02-17","22:59:57",""
"7135383","9.8896","0.0003","14.2302","0.0004","17.4646","0.0004","89.113","0.002","88.283","0.002","76.202","0.002","2385.72","0.11","180","2","180","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H19 Cl2 Cu2 N3 O3 Si -","- C22 H19 Cl2 Cu2 N3 O3 Si -","- C88 H76 Cl8 Cu8 N12 O12 Si4 -","4","2","","Colliard, Ian; Deblonde, Gauthier J.-P.","Actinide complexes with Wells-Dawson polyoxometalates (part 1): americium and curium.","Chemical communications (Cambridge, England)","2026","62","13","4018","4022","10.1039/d5cc06999h","","","0.71073","MoKα","","0.0367","0.0277","","","0.0657","0.0689","","","","","","1.027","","","","has coordinates,has disorder","304474","2026-02-17","23:00:56",""
"7135384","8.7877","0.0006","8.8493","0.0005","23.306","0.0014","90","","90","","90","","1812.39","0.19","301","2","301","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 N2 O3 S -","- C18 H22 N2 O3 S -","- C72 H88 N8 O12 S4 -","4","1","","Colliard, Ian; Deblonde, Gauthier J.-P.","Actinide complexes with Wells-Dawson polyoxometalates (part 1): americium and curium.","Chemical communications (Cambridge, England)","2026","62","13","4018","4022","10.1039/d5cc06999h","","","0.71073","MoKα","","0.0511","0.0481","","","0.1186","0.12","","","","","","1.069","","","","has coordinates","304474","2026-02-17","23:00:57",""
"7135385","19.264","0.012","21.682","0.009","22.237","0.012","99.146","0.011","105.5","0.04","97.73","0.03","8682","8","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C334.5 H392.5 Cl19.5 N14 O12 S2 Se2 -","- C334.5 H392.5 Cl19.5 N14 O12 S2 Se2 -","- C334.5 H392.5 Cl19.5 N14 O12 S2 Se2 -","1","1","","Colliard, Ian; Deblonde, Gauthier J.-P.","Actinide complexes with Wells-Dawson polyoxometalates (part 1): americium and curium.","Chemical communications (Cambridge, England)","2026","62","13","4018","4022","10.1039/d5cc06999h","","","1","Synchrotron","","0.0867","0.0842","","","0.2322","0.2367","","","","","","1.057","","","","has coordinates,has disorder","304474","2026-02-17","23:00:57",""
"7135386","13.062","0.0002","33.4078","0.0004","36.9123","0.0004","90","","90","","90","","16107.5","0.4","123","2","123","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C169 H218 I N3 O9 Se -","- C169 H218 I N3 O9 Se -","- C676 H872 I4 N12 O36 Se4 -","4","1","","Colliard, Ian; Deblonde, Gauthier J.-P.","Actinide complexes with Wells-Dawson polyoxometalates (part 1): americium and curium.","Chemical communications (Cambridge, England)","2026","62","13","4018","4022","10.1039/d5cc06999h","","x-ray","1.54184","CuKα","","0.1322","0.0831","","","0.2225","0.253","","","","","","0.977","","","","has coordinates,has disorder","304474","2026-02-17","23:00:57",""
"7135387","13.53","0.007","27.651","0.008","42.347","0.012","90","","90","","90","","15843","10","95","","95","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C163 H194.5 N9.5 O5 Se -","- C163 H194.5 N9.5 O5 Se -","- C652 H778 N38 O20 Se4 -","4","1","","Colliard, Ian; Deblonde, Gauthier J.-P.","Actinide complexes with Wells-Dawson polyoxometalates (part 1): americium and curium.","Chemical communications (Cambridge, England)","2026","62","13","4018","4022","10.1039/d5cc06999h","","","0.75","synchrotron","","0.1617","0.092","","","0.2192","0.2577","","","","","","1.012","","","","has coordinates,has disorder","304474","2026-02-17","23:00:57",""
"7135388","12.828","0.0007","12.828","0.0007","25.5324","0.0019","90","","90","","120","","3638.6","0.4","100","2","100","2","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","","- C30 H27 N3 O3 -","- C30 H27 N3 O3 -","- C180 H162 N18 O18 -","6","0.333333","","Koh, An-Ping; Vernezoul, Gaël; Fan, Jun; Zhang, Zheng-Feng; Su, Ming-Der; So, Cheuk-Wai","Bis(<i>N</i>-heterocyclic carbene)-borylene-mediated heteroallene activation.","Chemical communications (Cambridge, England)","2026","62","21","5980","5984","10.1039/d6cc00146g","","x-ray","0.71073","MoKα","","0.0691","0.0501","","","0.1074","0.1179","","","","","","1.038","","","","has coordinates","305321","2026-04-05","11:45:49",""
"7135389","12.3523","0.0011","13.3248","0.001","15.9694","0.0012","90","","90","","90","","2628.4","0.4","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C25 H23 Cl3 N3 O6.5 -","- C25 H23 Cl3 N3 O6.5 -","- C100 H92 Cl12 N12 O26 -","4","1","","Koh, An-Ping; Vernezoul, Gaël; Fan, Jun; Zhang, Zheng-Feng; Su, Ming-Der; So, Cheuk-Wai","Bis(<i>N</i>-heterocyclic carbene)-borylene-mediated heteroallene activation.","Chemical communications (Cambridge, England)","2026","62","21","5980","5984","10.1039/d6cc00146g","","x-ray","0.71073","MoKα","","0.1022","0.0543","","","0.1034","0.1239","","","","","","1.018","","","","has coordinates","305321","2026-04-05","11:45:49",""
"7135390","15.983","0.0005","15.983","0.0005","18.6933","0.001","90","","90","","120","","4135.5","0.3","100","2","100","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C30 H33 N3 O3 -","- C30 H33 N3 O3 -","- C180 H198 N18 O18 -","6","0.166667","","Koh, An-Ping; Vernezoul, Gaël; Fan, Jun; Zhang, Zheng-Feng; Su, Ming-Der; So, Cheuk-Wai","Bis(<i>N</i>-heterocyclic carbene)-borylene-mediated heteroallene activation.","Chemical communications (Cambridge, England)","2026","62","21","5980","5984","10.1039/d6cc00146g","","x-ray","0.71073","MoKα","","0.0771","0.0473","","","0.1142","0.142","","","","","","1.019","","","","has coordinates","305321","2026-04-05","11:45:49",""
"7135391","17.846","0.0015","16.4283","0.0014","7.7056","0.0007","90","","94.458","0.003","90","","2252.3","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H18 F3 N3 O3 -","- C27 H18 F3 N3 O3 -","- C108 H72 F12 N12 O12 -","4","1","","Koh, An-Ping; Vernezoul, Gaël; Fan, Jun; Zhang, Zheng-Feng; Su, Ming-Der; So, Cheuk-Wai","Bis(<i>N</i>-heterocyclic carbene)-borylene-mediated heteroallene activation.","Chemical communications (Cambridge, England)","2026","62","21","5980","5984","10.1039/d6cc00146g","","x-ray","0.71073","MoKα","","0.1184","0.0576","","","0.1177","0.1451","","","","","","1.029","","","","has coordinates","305321","2026-04-05","11:45:49",""
"7135392","18.741","0.01","4.507","0.003","11.291","0.007","90","","90","","90","","953.7","1","103","2","103","2","","","","","","","","4","P m n 21","P 2ac -2","31","","","","- C24 H21 N3 O3 -","- C24 H21 N3 O3 -","- C48 H42 N6 O6 -","2","0.5","","Koh, An-Ping; Vernezoul, Gaël; Fan, Jun; Zhang, Zheng-Feng; Su, Ming-Der; So, Cheuk-Wai","Bis(<i>N</i>-heterocyclic carbene)-borylene-mediated heteroallene activation.","Chemical communications (Cambridge, England)","2026","62","21","5980","5984","10.1039/d6cc00146g","","x-ray","0.71073","MoKα","","0.1985","0.0728","","","0.1387","0.186","","","","","","0.917","","","","has coordinates","305321","2026-04-05","11:45:49",""
"7135393","10.2262","0.0007","12.4749","0.0009","17.7971","0.0011","102.205","0.002","92.512","0.002","104.981","0.002","2132","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H13 N6 O3.5 -","- C24 H13 N6 O3.5 -","- C96 H52 N24 O14 -","4","2","","Koh, An-Ping; Vernezoul, Gaël; Fan, Jun; Zhang, Zheng-Feng; Su, Ming-Der; So, Cheuk-Wai","Bis(<i>N</i>-heterocyclic carbene)-borylene-mediated heteroallene activation.","Chemical communications (Cambridge, England)","2026","62","21","5980","5984","10.1039/d6cc00146g","","x-ray","0.71073","MoKα","","0.0882","0.0551","","","0.1342","0.1541","","","","","","1.047","","","","has coordinates","305321","2026-04-05","11:45:49",""
"7135394","12.4889","0.0011","13.5583","0.0012","13.632","0.0011","61.128","0.002","78.86","0.003","85.886","0.003","1982.7","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H40 Cl3 N3 O3 -","- C46 H40 Cl3 N3 O3 -","- C92 H80 Cl6 N6 O6 -","2","1","","Koh, An-Ping; Vernezoul, Gaël; Fan, Jun; Zhang, Zheng-Feng; Su, Ming-Der; So, Cheuk-Wai","Bis(<i>N</i>-heterocyclic carbene)-borylene-mediated heteroallene activation.","Chemical communications (Cambridge, England)","2026","62","21","5980","5984","10.1039/d6cc00146g","","x-ray","0.71073","MoKα","","0.1032","0.0719","","","0.184","0.2092","","","","","","1.03","","","","has coordinates,has disorder","305321","2026-04-05","11:45:49",""
"7135395","25.0088","0.0017","8.8029","0.0006","25.0143","0.0019","90","","109.169","0.002","90","","5201.6","0.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H40 B N3 -","- C28 H40 B N3 -","- C224 H320 B8 N24 -","8","2","","Koh, An-Ping; Vernezoul, Gaël; Fan, Jun; Zhang, Zheng-Feng; Su, Ming-Der; So, Cheuk-Wai","Bis(<i>N</i>-heterocyclic carbene)-borylene-mediated heteroallene activation.","Chemical communications (Cambridge, England)","2026","62","21","5980","5984","10.1039/d6cc00146g","","x-ray","0.71073","MoKα","","0.1145","0.0636","","","0.136","0.1605","","","","","","1.028","","","","has coordinates","305321","2026-04-05","11:45:49",""
"7135396","14.6606","0.0002","22.5777","0.0003","24.8922","0.0004","95.446","0.001","102.747","0.001","99.329","0.001","7856.6","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- K17 O125 P4 Pr W34 -","- K17 O125 P4 Pr W34 -","- K34 O250 P8 Pr2 W68 -","2","1","","Colliard, Ian; Deblonde, Gauthier J.-P.","Actinide complexes with Wells-Dawson polyoxometalates (part 2): californium.","Chemical communications (Cambridge, England)","2026","62","13","4023","4027","10.1039/d5cc07083j","","x-ray","0.71073","MoKα","","0.0915","0.0695","","","0.2021","0.216","","","","","","1.036","","","","has coordinates","304476","2026-02-17","23:02:53",""
"7135397","12.3745","0.0002","23.4607","0.0003","51.819","0.0006","90","","90.635","0.001","90","","15042.9","0.4","298","","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- Cf4 K68 O492 P16 W136 -","- Cf4 K68 O492 P16 W136 -","- Cf4 K68 O492 P16 W136 -","1","0.25","","Colliard, Ian; Deblonde, Gauthier J.-P.","Actinide complexes with Wells-Dawson polyoxometalates (part 2): californium.","Chemical communications (Cambridge, England)","2026","62","13","4023","4027","10.1039/d5cc07083j","","x-ray","0.71073","MoKα","","0.1238","0.0794","","","0.2139","0.2351","","","","","","1.041","","","","has coordinates","304476","2026-02-17","23:02:54",""
"7135398","12.5314","0.0007","13.3027","0.0009","14.2917","0.001","68.818","0.007","70.202","0.006","66.085","0.006","1978.4","0.3","100","0.1","100","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C57 H43 N4 -","- C57 H43 N4 -","- C114 H86 N8 -","2","1","","Singh, Hemant K.; Punjani, Vidhika; Rybáček, Jiří; Pietrzak, Anna; Bednárová, Lucie; Kaszyński, Piotr","Azahelicene-fused Blatter radicals: chiral paramagnetic NIR absorbers.","Chemical communications (Cambridge, England)","2026","62","17","5046","5050","10.1039/d5cc07389h","","","1.54184","CuKα","","0.1462","0.0816","","","0.1872","0.219","","","","","","1.046","","","","has coordinates","304865","2026-03-05","12:14:00",""
"7135399","9.2171","0.0014","29.385","0.003","11.2508","0.0012","90","","106.903","0.013","90","","2915.6","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Cd-L-COO","","- C28 H29 Cd Cl0.644 N4.356 O8.067 -","- C28 H20 Cd Cl0.644 N4.356 O3.068 -","- C112 H80 Cd4 Cl2.576 N17.424 O12.272 -","4","1","","Cui, Jing-Wang; Ma, Shuai; Chen, Yun-Rui; Pan, Jia-Qi; Tan, Bin; Zhang, Jie","Controlled ROS generation in pyridinium-functionalized nanocatalysts for selective photooxidation.","Chemical communications (Cambridge, England)","2026","62","13","4122","4126","10.1039/d5cc06709j","","","0.71073","MoKα","","0.0929","0.0615","","","0.1706","0.1907","","","","","","1.024","","","","has coordinates,has disorder","304478","2026-02-17","23:03:39",""
"7135400","10.403","0.0006","14.4561","0.0009","15.3486","0.0009","66.517","0.002","82.651","0.002","71.201","0.002","2004.1","0.2","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C44 H26 F4 N6 O2 Pd2 -","- C44 H26 F4 N6 O2 Pd2 -","- C88 H52 F8 N12 O4 Pd4 -","2","1","","Fan, Weixue; Liu, Hua-Chao; Zhang, Yi; Zhang, Qizheng; Guo, Xiaoyu; Miao, Jingsheng; Yang, Chuluo; Li, Kai","Shortening the intramolecular Pd-Pd distances for photoactive dinuclear Pd(II) complexes.","Chemical communications (Cambridge, England)","2026","62","20","5687","5690","10.1039/d5cc05601b","","","0.71073","MoKα","","0.0948","0.0536","","","0.1084","0.1271","","","","","","1.042","","","","has coordinates","305305","2026-04-05","11:42:20",""
"7135401","20.7115","0.0013","26.5389","0.0017","22.1807","0.0013","90","","106.922","0.002","90","","11664","1.3","170","","170","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H24 F4 N8 O2 Pd2 -","- C42 H24 F4 N8 O2 Pd2 -","- C504 H288 F48 N96 O24 Pd24 -","12","1.5","","Fan, Weixue; Liu, Hua-Chao; Zhang, Yi; Zhang, Qizheng; Guo, Xiaoyu; Miao, Jingsheng; Yang, Chuluo; Li, Kai","Shortening the intramolecular Pd-Pd distances for photoactive dinuclear Pd(II) complexes.","Chemical communications (Cambridge, England)","2026","62","20","5687","5690","10.1039/d5cc05601b","","","1.34139","GaKα","","0.0724","0.044","","","0.0948","0.1044","","","","","","1.08","","","","has coordinates","305305","2026-04-05","11:42:20",""
"7135402","10.9051","0.0004","13.026","0.0004","16.5638","0.0005","81.142","0.001","78.462","0.001","67.062","0.001","2115.5","0.12","170","","170","","","","","","","","","6","P -1","-P 1","2","","","","- C44 H28 F4 N8 O2 Pd2 -","- C44 H28 F4 N8 O2 Pd2 -","- C88 H56 F8 N16 O4 Pd4 -","2","1","","Fan, Weixue; Liu, Hua-Chao; Zhang, Yi; Zhang, Qizheng; Guo, Xiaoyu; Miao, Jingsheng; Yang, Chuluo; Li, Kai","Shortening the intramolecular Pd-Pd distances for photoactive dinuclear Pd(II) complexes.","Chemical communications (Cambridge, England)","2026","62","20","5687","5690","10.1039/d5cc05601b","","","0.71073","MoKα","","0.0315","0.0261","","","0.0575","0.06","","","","","","1.049","","","","has coordinates","305305","2026-04-05","11:42:20",""
"7135403","18.5498","0.0014","7.608","0.0007","18.5459","0.0017","90","","93.523","0.003","90","","2612.4","0.4","167","2","167","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H14 Ge0.5 N3 -","- C16 H14 Ge0.5 N3 -","- C128 H112 Ge4 N24 -","8","1","","Barik, Jogendrananda; Rit, Arnab","Anilido-pyrazole ligand supported germylenes: synthesis, structure, and catalytic <i>N</i>-formylation of amines using CO<sub>2</sub>.","Chemical communications (Cambridge, England)","2026","62","13","4131","4134","10.1039/d5cc07160g","","","0.71073","MoKα","","0.0434","0.0423","","","0.1269","0.1277","","","","","","1.181","","","","has coordinates","304481","2026-02-17","23:04:34",""
"7135404","9.2899","0.0005","13.6579","0.0009","19.1626","0.0013","90","","102.816","0.002","90","","2370.8","0.3","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C3.38 H4.92 Ge0.15 N0.62 Si0.31 -","- C3.38462 H4.92308 Ge0.153846 N0.615385 Si0.307692 -","- C88 H128 Ge4 N16 Si8 -","26","6.5","","Barik, Jogendrananda; Rit, Arnab","Anilido-pyrazole ligand supported germylenes: synthesis, structure, and catalytic <i>N</i>-formylation of amines using CO<sub>2</sub>.","Chemical communications (Cambridge, England)","2026","62","13","4131","4134","10.1039/d5cc07160g","","","0.71073","MoKα","","0.0239","0.0218","","","0.063","0.064","","","","","","1.037","","","","has coordinates","304481","2026-02-17","23:04:34",""
"7135405","13.001","0.004","18.757","0.005","33.217","0.008","77.55","0.02","85.89","0.02","72.53","0.02","7545","4","250","1","250","1","","","","","","","","7","P -1","-P 1","2","","","","- C258 H452.92 B4 F16 Fe2 N64 O20.46 -","- C258 H452.92 B4 F16 Fe2 N64 O20.46 -","- C258 H452.92 B4 F16 Fe2 N64 O20.46 -","1","0.5","","Tołoczko, Aleksandra; Kaźmierczak, Marcin; Maliuzhenko, Vladyslav; Siczek, Miłosz; Weselski, Marek; Bronisz, Robert","""Inverted"" hysteresis in a bilayer Fe(II) spin crossover system.","Chemical communications (Cambridge, England)","2026","62","22","6110","6113","10.1039/d6cc00357e","","","0.71073","MoKα","","0.098","0.0685","","","0.1855","0.2007","","","","","","1.054","","","","has coordinates,has disorder","305287","2026-04-05","11:36:19",""
"7135406","5.376","0.002","8.035","0.003","31.164","0.008","85.73","0.03","88.55","0.03","74.99","0.04","1296.6","0.8","100","1","100","1","","","","","","","","4","P -1","-P 1","2","","1,3-di(1H-1,2,3-triazol-1-yl)propan-2-yl stearate","","- C25 H44 N6 O2 -","- C25 H44 N6 O2 -","- C50 H88 N12 O4 -","2","1","","Tołoczko, Aleksandra; Kaźmierczak, Marcin; Maliuzhenko, Vladyslav; Siczek, Miłosz; Weselski, Marek; Bronisz, Robert","""Inverted"" hysteresis in a bilayer Fe(II) spin crossover system.","Chemical communications (Cambridge, England)","2026","62","22","6110","6113","10.1039/d6cc00357e","","x-ray","1.54184","CuKα","","0.1018","0.0759","","","0.1703","0.1826","","","","","","1.147","","","","has coordinates","305287","2026-04-05","11:36:19",""
"7135407","13.046","0.004","18.844","0.007","33.352","0.012","78.27","0.03","86.54","0.03","72.34","0.03","7650","5","293","1","293","1","","","","","","","","7","P -1","-P 1","2","","","","- C258 H452.92 B4 F16 Fe2 N64 O20.46 -","- C258 H452.92 B4 F16 Fe2 N64 O20.46 -","- C258 H452.92 B4 F16 Fe2 N64 O20.46 -","1","0.5","","Tołoczko, Aleksandra; Kaźmierczak, Marcin; Maliuzhenko, Vladyslav; Siczek, Miłosz; Weselski, Marek; Bronisz, Robert","""Inverted"" hysteresis in a bilayer Fe(II) spin crossover system.","Chemical communications (Cambridge, England)","2026","62","22","6110","6113","10.1039/d6cc00357e","","","0.71073","MoKα","","0.1181","0.074","","","0.1927","0.2155","","","","","","1.03","","","","has coordinates,has disorder","305287","2026-04-05","11:36:19",""
"7135408","11.5239","0.0003","15.1374","0.0003","19.9082","0.0004","106.186","0.001","100.095","0.001","96.151","0.001","3238.53","0.13","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C62 H48 Al F36 N2 O4 -","- C62 H48 Al F36 N2 O4 -","- C124 H96 Al2 F72 N4 O8 -","2","1","","Yang, Jiayao; Yang, Linlin; Li, Tao; Zhao, Wanxiang","Stable radical cations based on indolo[3,2,1-<i>jk</i>]carbazole: synthesis, characterization, and theoretical calculation.","Chemical communications (Cambridge, England)","2026","62","19","5536","5539","10.1039/d6cc00498a","","","1.54178","CuKα","","0.0576","0.0489","","","0.1283","0.1316","","","","","","1.045","","","","has coordinates,has disorder","305295","2026-04-05","11:40:03",""
"7135409","48.7724","0.0013","13.9285","0.0004","39.1474","0.0009","90","","124.354","0.001","90","","21955","1","150","","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C108 H96 Al F36 N4 O4 -","- C108 H96 Al F36 N4 O4 -","- C864 H768 Al8 F288 N32 O32 -","8","1","","Yang, Jiayao; Yang, Linlin; Li, Tao; Zhao, Wanxiang","Stable radical cations based on indolo[3,2,1-<i>jk</i>]carbazole: synthesis, characterization, and theoretical calculation.","Chemical communications (Cambridge, England)","2026","62","19","5536","5539","10.1039/d6cc00498a","","","1.54178","CuKα","","0.112","0.094","","","0.266","0.2803","","","","","","1.04","","","","has coordinates,has disorder","305295","2026-04-05","11:40:03",""
"7135410","31.0665","0.0007","31.0665","0.0007","30.9131","0.0011","90","","90","","90","","29835.1","1.4","173","","173","","","","","","","","","5","I 4","I 4","79","","","","- C96 H174 K2 N8 O68 -","- C72 H118 K2 O60 -","- C576 H944 K16 O480 -","8","1","","Feng, Ning; Cai, Xinyi; Ding, Boxin; Li, Hongguang; Meng, Hong","Red CPL from water insoluble achiral carbon dots assisted by cyclodextrin MOF templating.","Chemical communications (Cambridge, England)","2026","62","19","5527","5530","10.1039/d5cc06490b","","","1.54178","CuKα","","0.0968","0.0861","","","0.2655","0.2918","","","","","","1.253","","","","has coordinates","306266","2026-06-05","18:20:16",""
"7135411","31.0665","0.0007","31.0665","0.0007","30.9131","0.0011","90","","90","","90","","29835.1","1.4","173","","173","","","","","","","","","5","I 4","I 4","79","","","","- C96 H56 K2 N8 O68 -","- C72 K2 O60 -","- C576 K16 O480 -","8","1","","Feng, Ning; Cai, Xinyi; Ding, Boxin; Li, Hongguang; Meng, Hong","Red CPL from water insoluble achiral carbon dots assisted by cyclodextrin MOF templating.","Chemical communications (Cambridge, England)","2026","62","19","5527","5530","10.1039/d5cc06490b","","","1.54178","CuKα","","0.1115","0.0916","","","0.2631","0.2956","","","","","","1.184","","","","has coordinates,has disorder","306266","2026-06-05","18:20:16",""
"7135412","13.0065","0.0003","24.5208","0.0005","23.9619","0.0005","90","","96.58","0.002","90","","7591.8","0.3","181","2","181","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C88.5 H75 B Cl3 O4 Os P3 -","- C88.5 H75 B Cl3 O4 Os P3 -","- C354 H300 B4 Cl12 O16 Os4 P12 -","4","1","","Deng, Zhihong; Zhang, Hong; Luo, Ming; Xia, Haiping","Tuning the reactivity of an osmium-peroxo unit by modulating metallacycle aromaticity.","Chemical communications (Cambridge, England)","2026","62","21","5914","5918","10.1039/d5cc07078c","","","0.71073","MoKα","","0.0625","0.0479","","","0.0977","0.1022","","","","","","1.098","","","","has coordinates,has disorder","305320","2026-04-05","11:45:39",""
"7135413","13.0692","0.0003","23.4824","0.0006","20.1169","0.0005","90","","96.239","0.003","90","","6137.2","0.3","172.95","0.1","172.95","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C66 H57 Cl6.25 O4.5 Os P3 -","- C66 H57 Cl6.25 O4.5 Os P3 -","- C264 H228 Cl25 O18 Os4 P12 -","4","1","","Deng, Zhihong; Zhang, Hong; Luo, Ming; Xia, Haiping","Tuning the reactivity of an osmium-peroxo unit by modulating metallacycle aromaticity.","Chemical communications (Cambridge, England)","2026","62","21","5914","5918","10.1039/d5cc07078c","","x-ray","0.71073","MoKα","","0.0655","0.0571","","","0.1163","0.1199","","","","","","1.172","","","","has coordinates,has disorder","305320","2026-04-05","11:45:39",""
"7135414","4.6181","0.0003","7.5724","0.0005","10.617","0.0007","69.154","0.002","77.963","0.002","89.597","0.002","338.43","0.04","300","","300","","","","","","","","","4","P 1","P 1","1","","","","- H O4 Rb Se -","- H O4 Rb Se -","- H3 O12 Rb3 Se3 -","3","3","","Chi, Yang; Xin, Mei-Ling","Strong second-harmonic generation and wide temperature range switching behavior coexisting in an ultrawide-bandgap selenate.","Chemical communications (Cambridge, England)","2026","62","14","4333","4336","10.1039/d5cc06860f","","","0.71073","MoKα","","0.04","0.0342","","","0.0776","0.0799","","","","","","1.033","","","","has coordinates","304546","2026-02-19","23:01:34",""
"7135415","19.9401","0.0011","7.6068","0.0004","4.6292","0.0002","90","","102.751","0.003","90","","684.84","0.06","388","","388","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- H O4 Rb Se -","- H O4 Rb Se -","- H6 O24 Rb6 Se6 -","6","1.5","","Chi, Yang; Xin, Mei-Ling","Strong second-harmonic generation and wide temperature range switching behavior coexisting in an ultrawide-bandgap selenate.","Chemical communications (Cambridge, England)","2026","62","14","4333","4336","10.1039/d5cc06860f","","","0.71073","MoKα","","0.0384","0.029","","","0.062","0.0646","","","","","","1.035","","","","has coordinates","304546","2026-02-19","23:01:35",""
"7135416","4.6245","0.0002","7.5938","0.0004","10.6496","0.0007","69.145","0.002","78.003","0.002","89.743","0.002","340.86","0.03","360","","360","","","","","","","","","4","P 1","P 1","1","","","","- H O4 Rb Se -","- H O4 Rb Se -","- H3 O12 Rb3 Se3 -","3","3","","Chi, Yang; Xin, Mei-Ling","Strong second-harmonic generation and wide temperature range switching behavior coexisting in an ultrawide-bandgap selenate.","Chemical communications (Cambridge, England)","2026","62","14","4333","4336","10.1039/d5cc06860f","","","0.71073","MoKα","","0.0426","0.033","","","0.0713","0.0743","","","","","","0.989","","","","has coordinates","304546","2026-02-19","23:01:35",""
"7135417","15.0665","0.0003","12.9576","0.0003","19.5981","0.0005","90","","90","","90","","3826.05","0.15","250.01","0.1","250.01","0.1","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C19 H18 O4 P Re -","- C19 H18 O4 P Re -","- C152 H144 O32 P8 Re8 -","8","2","","Pan, Xiong; Fang, Zi-Luo; Guo, Ming-Yu; Yang, Hao; Zhang, Wei-Xiong","A new polar glass-ceramic built from monovalent perrhenate anions and large methyltriphenylphosphonium cations.","Chemical communications (Cambridge, England)","2026","62","14","4302","4305","10.1039/d5cc07096a","","x-ray","1.54184","CuKα","","0.0595","0.0514","","","0.1385","0.1453","","","","","","1.108","","","","has coordinates","304547","2026-02-19","23:01:54",""
"7135418","7.3884","0.0002","17.41","0.0004","27.1385","0.0006","90","","90","","90","","3490.88","0.15","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H16 F3 N O2 -","- C21 H16 F3 N O2 -","- C168 H128 F24 N8 O16 -","8","1","","Ye, Shasha; Zou, Jiayi; Yang, Xueying; Xu, Haiyun; Ma, Chunhua; Zhang, Xinying; Fan, Xuesen","Synthesis of CF<sub>3</sub>-indene-1-ol-fused pyridones possessing potent anticancer activities through C-H activation-initiated cascade annulation under redox-neutral conditions.","Chemical communications (Cambridge, England)","2026","62","14","4354","4357","10.1039/d5cc06846k","","x-ray","1.54184","CuKα","","0.073","0.0641","","","0.1693","0.175","","","","","","1.197","","","","has coordinates","304548","2026-02-19","23:02:17",""
"7135419","6.3061","0.0002","16.2896","0.0004","17.1248","0.0004","90","","98.141","0.002","90","","1741.4","0.08","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H10 Cl2 F3 N O2 -","- C19 H10 Cl2 F3 N O2 -","- C76 H40 Cl8 F12 N4 O8 -","4","1","","Ye, Shasha; Zou, Jiayi; Yang, Xueying; Xu, Haiyun; Ma, Chunhua; Zhang, Xinying; Fan, Xuesen","Synthesis of CF<sub>3</sub>-indene-1-ol-fused pyridones possessing potent anticancer activities through C-H activation-initiated cascade annulation under redox-neutral conditions.","Chemical communications (Cambridge, England)","2026","62","14","4354","4357","10.1039/d5cc06846k","","x-ray","1.54184","CuKα","","0.0771","0.0686","","","0.2068","0.2138","","","","","","1.115","","","","has coordinates","304548","2026-02-19","23:02:18",""
"7135420","11.395","0.0007","17.1279","0.0009","11.6609","0.0007","90","","110.596","0.007","90","","2130.4","0.2","293","","293","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H29 Cl2 N3 O3 Ru -","- C17 H29 Cl2 N3 O3 Ru -","- C68 H116 Cl8 N12 O12 Ru4 -","4","1","","M, Thillai Natarajan; Padhi, Sumanta Kumar","Hydride-mediated ammonia borane dehydrogenation in water by arene-Ru(II) catalysts revealed through real-time gas evolution.","Chemical communications (Cambridge, England)","2026","62","21","5880","5884","10.1039/d5cc06735a","","x-ray","0.71073","MoKα","","0.0508","0.0337","","","0.0738","0.0821","","","","","","1.0322","","","","has coordinates","305318","2026-04-05","11:45:28",""
"7135421","9.4601","0.0016","15.895","0.002","26.358","0.006","90","","94.147","0.017","90","","3953","1.2","293","","293","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H40 Cl2 F12 N4 P2 Ru2 -","- C34 H40 Cl2 F12 N4 P2 Ru2 -","- C136 H160 Cl8 F48 N16 P8 Ru8 -","4","1","","M, Thillai Natarajan; Padhi, Sumanta Kumar","Hydride-mediated ammonia borane dehydrogenation in water by arene-Ru(II) catalysts revealed through real-time gas evolution.","Chemical communications (Cambridge, England)","2026","62","21","5880","5884","10.1039/d5cc06735a","","x-ray","0.71073","MoKα","","0.1113","0.0503","","","0.0526","0.0663","","","","","","0.9069","","","","has coordinates","305318","2026-04-05","11:45:28",""
"7135422","11.3484","0.0005","15.5897","0.0006","11.7304","0.0005","90","","110.02","0.005","90","","1949.92","0.15","293","","293","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C16 H20 Cl F6 N2 O P Ru -","- C16 H20 Cl F6 N2 O P Ru -","- C64 H80 Cl4 F24 N8 O4 P4 Ru4 -","4","1","","M, Thillai Natarajan; Padhi, Sumanta Kumar","Hydride-mediated ammonia borane dehydrogenation in water by arene-Ru(II) catalysts revealed through real-time gas evolution.","Chemical communications (Cambridge, England)","2026","62","21","5880","5884","10.1039/d5cc06735a","","x-ray","0.71073","MoKα","","0.0474","0.0369","","","0.1011","0.1107","","","","","","0.9757","","","","has coordinates,has disorder","305318","2026-04-05","11:45:28",""
"7135423","8.95059","0.00016","11.1282","0.0002","17.174","0.0003","90","","101.952","0.0018","90","","1673.52","0.05","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","yi221201-nsmr","","- C25 H15 N O -","- C25 H15 N O -","- C100 H60 N4 O4 -","4","1","","Nakamura, Shuto; Kawaguchi, Soki; Nishimura, Yuta; Harimoto, Takashi; Hasegawa, Jun-Ya; Suzuki, Takanori; Ishigaki, Yusuke","Nitrogen-centred helical acridiniums with a 6-7-6-6 fused ring skeleton.","Chemical communications (Cambridge, England)","2026","62","14","4268","4271","10.1039/d5cc06029j","","x-ray","1.54184","CuKα","","0.0369","0.0355","","","0.0949","0.0959","","","","","","1.045","","","","has coordinates","304550","2026-02-19","23:03:43",""
"7135424","9.75691","0.00012","7.33195","0.00009","26.2699","0.0003","90","","96.4206","0.0011","90","","1867.49","0.04","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","yi250626-nkmr1","","- C25 H16 B F4 N -","- C25 H16 B F4 N -","- C100 H64 B4 F16 N4 -","4","1","","Nakamura, Shuto; Kawaguchi, Soki; Nishimura, Yuta; Harimoto, Takashi; Hasegawa, Jun-Ya; Suzuki, Takanori; Ishigaki, Yusuke","Nitrogen-centred helical acridiniums with a 6-7-6-6 fused ring skeleton.","Chemical communications (Cambridge, England)","2026","62","14","4268","4271","10.1039/d5cc06029j","","x-ray","1.54184","CuKα","","0.0546","0.0479","","","0.1194","0.124","","","","","","1.03","","","","has coordinates,has disorder","304550","2026-02-19","23:03:44",""
"7135425","11.24384","0.0001","13.79725","0.00013","17.01571","0.00015","90","","90","","90","","2639.72","0.04","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","yi240209-nsmr","","- C34 H26 B F4 N -","- C34 H26 B F4 N -","- C136 H104 B4 F16 N4 -","4","1","","Nakamura, Shuto; Kawaguchi, Soki; Nishimura, Yuta; Harimoto, Takashi; Hasegawa, Jun-Ya; Suzuki, Takanori; Ishigaki, Yusuke","Nitrogen-centred helical acridiniums with a 6-7-6-6 fused ring skeleton.","Chemical communications (Cambridge, England)","2026","62","14","4268","4271","10.1039/d5cc06029j","","x-ray","1.54184","CuKα","","0.0366","0.034","","","0.0877","0.0892","","","","","","1.031","","","","has coordinates,has disorder","304550","2026-02-19","23:03:44",""
"7135426","11.5153","0.0003","13.2614","0.0003","17.5945","0.0004","90","","90","","90","","2686.84","0.11","200","","200","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","yi241204-nkmr4","","- C34 H26 B F4 N O -","- C34 H26 B F4 N O -","- C136 H104 B4 F16 N4 O4 -","4","1","","Nakamura, Shuto; Kawaguchi, Soki; Nishimura, Yuta; Harimoto, Takashi; Hasegawa, Jun-Ya; Suzuki, Takanori; Ishigaki, Yusuke","Nitrogen-centred helical acridiniums with a 6-7-6-6 fused ring skeleton.","Chemical communications (Cambridge, England)","2026","62","14","4268","4271","10.1039/d5cc06029j","","x-ray","1.54184","CuKα","","0.0413","0.0396","","","0.1102","0.1117","","","","","","1.046","","","","has coordinates","304550","2026-02-19","23:03:44",""
"7135427","24.5693","0.0006","8.47276","0.00018","26.6677","0.0006","90","","93.9884","0.0019","90","","5538","0.2","150","","150","","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","yi240709-nkmr3","","- C33 H24 B Cl2 F4 N O -","- C33 H24 B Cl2 F4 N O -","- C264 H192 B8 Cl16 F32 N8 O8 -","8","1","","Nakamura, Shuto; Kawaguchi, Soki; Nishimura, Yuta; Harimoto, Takashi; Hasegawa, Jun-Ya; Suzuki, Takanori; Ishigaki, Yusuke","Nitrogen-centred helical acridiniums with a 6-7-6-6 fused ring skeleton.","Chemical communications (Cambridge, England)","2026","62","14","4268","4271","10.1039/d5cc06029j","","x-ray","1.54184","CuKα","","0.0801","0.0588","","","0.132","0.1439","","","","","","1.056","","","","has coordinates,has disorder","304550","2026-02-19","23:03:44",""
"7135428","13.0525","0.0002","9.021","0.0001","22.2487","0.0003","90","","101.178","0.001","90","","2570.01","0.06","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H25 N O2 P2 S2 -","- C28 H25 N O2 P2 S2 -","- C112 H100 N4 O8 P8 S8 -","4","1","","Duari, Prakash; Jörges, Mike; Mondal, Sunita; Feichtner, Kai-Stephan; Gessner, Viktoria H.","Reactivity of ketenyl anions towards ammonia.","Chemical communications (Cambridge, England)","2026","62","14","4293","4297","10.1039/d5cc06975k","","x-ray","1.54184","CuKα","","0.042","0.0396","","","0.1087","0.1111","","","","","","1.05","","","","has coordinates","304551","2026-02-19","23:04:26",""
"7135429","27.5782","0.0002","14.6756","0.0001","31.7159","0.0002","90","","113.102","0.001","90","","11806.9","0.16","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C116 H130 K6 N2 O14 P6 Se6 -","- C116 H130 K6 N2 O14 P6 Se6 -","- C464 H520 K24 N8 O56 P24 Se24 -","4","1","","Duari, Prakash; Jörges, Mike; Mondal, Sunita; Feichtner, Kai-Stephan; Gessner, Viktoria H.","Reactivity of ketenyl anions towards ammonia.","Chemical communications (Cambridge, England)","2026","62","14","4293","4297","10.1039/d5cc06975k","","x-ray","1.54184","CuKα","","0.0599","0.0551","","","0.1328","0.135","","","","","","1.127","","","","has coordinates,has disorder","304551","2026-02-19","23:04:26",""
"7135430","24.33755","0.00012","22.84495","0.0001","23.04768","0.00011","90","","98.1107","0.0004","90","","12686.1","0.1","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C108 H114 K6 N2 O12 P6 S6 -","- C108 H114 K6 N2 O12 P6 S6 -","- C432 H456 K24 N8 O48 P24 S24 -","4","1","","Duari, Prakash; Jörges, Mike; Mondal, Sunita; Feichtner, Kai-Stephan; Gessner, Viktoria H.","Reactivity of ketenyl anions towards ammonia.","Chemical communications (Cambridge, England)","2026","62","14","4293","4297","10.1039/d5cc06975k","","x-ray","1.54184","CuKα","","0.0406","0.04","","","0.1069","0.1073","","","","","","1.038","","","","has coordinates,has disorder","304551","2026-02-19","23:04:26",""
"7135431","6.6419","0.0001","11.9656","0.0003","17.5698","0.0004","107.138","0.001","90.007","0.001","100.861","0.001","1308.14","0.05","273","2","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C29 H31 N O2 Se -","- C29 H31 N O2 Se -","- C58 H62 N2 O4 Se2 -","2","1","","Luo, Xian-Bing; Wu, Xia-Die; Wang, Lei; Li, Zhifang; Hou, Zhong-Wei","Regioselective electrochemical 7-<i>endo-dig</i> selenocyclization of <i>N</i>-benzyl propiolamides to access selenated benzo[<i>c</i>]azepinones.","Chemical communications (Cambridge, England)","2026","62","14","4346","4349","10.1039/d5cc06757j","","","0.71073","MoKα","","0.0445","0.0323","","","0.0849","0.0924","","","","","","1.027","","","","has coordinates","304552","2026-02-19","23:05:03",""
"7135432","19.5813","0.0004","8.5064","0.0002","32.0053","0.0006","90","","98.372","0.002","90","","5274.2","0.19","299","2","299","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C35 H23 N O Se -","- C35 H23 N O Se -","- C280 H184 N8 O8 Se8 -","8","1","","Luo, Xian-Bing; Wu, Xia-Die; Wang, Lei; Li, Zhifang; Hou, Zhong-Wei","Regioselective electrochemical 7-<i>endo-dig</i> selenocyclization of <i>N</i>-benzyl propiolamides to access selenated benzo[<i>c</i>]azepinones.","Chemical communications (Cambridge, England)","2026","62","14","4346","4349","10.1039/d5cc06757j","","","1.54178","CuKα","","0.0467","0.0431","","","0.1176","0.1257","","","","","","1.109","","","","has coordinates","304552","2026-02-19","23:05:03",""
"7135433","24.2397","0.0004","6.654","0.0001","30.0658","0.0004","90","","100.312","0.001","90","","4771.01","0.12","297","","297","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H27 N O2 Se -","- C27 H27 N O2 Se -","- C216 H216 N8 O16 Se8 -","8","1","","Luo, Xian-Bing; Wu, Xia-Die; Wang, Lei; Li, Zhifang; Hou, Zhong-Wei","Regioselective electrochemical 7-<i>endo-dig</i> selenocyclization of <i>N</i>-benzyl propiolamides to access selenated benzo[<i>c</i>]azepinones.","Chemical communications (Cambridge, England)","2026","62","14","4346","4349","10.1039/d5cc06757j","","","1.54178","CuKα","","0.0313","0.0288","","","0.0739","0.0753","","","","","","1.0429","","","","has coordinates","304552","2026-02-19","23:05:04",""
"7135434","17.6262","0.0017","13.7083","0.0008","19.441","0.002","90","","116.945","0.003","90","","4187.5","0.6","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H26 N O2 P -","- C24 H26 N O2 P -","- C192 H208 N8 O16 P8 -","8","2","","Kaste, Malte; Heilmann, Tobias; Kircher, Johannes; Golz, Christopher; Mata, Ricardo A.; Alcarazo, Manuel","Synthesis and reactivity of a strongly pyramidalized P(III)-compound embedded into a pyrrolide (ONO)<sup>3-</sup> pincer ligand.","Chemical communications (Cambridge, England)","2026","62","20","5696","5700","10.1039/d5cc07240a","","x-ray","0.71073","MoKα","","0.0517","0.0418","","","0.1063","0.113","","","","","","1.056","","","","has coordinates,has disorder","305304","2026-04-05","11:42:11",""
"7135435","11.1848","0.0006","11.1217","0.0007","21.2471","0.0013","90","","93.249","0.002","90","","2638.8","0.3","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H39 N2 O2 P -","- C29 H39 N2 O2 P -","- C116 H156 N8 O8 P4 -","4","1","","Kaste, Malte; Heilmann, Tobias; Kircher, Johannes; Golz, Christopher; Mata, Ricardo A.; Alcarazo, Manuel","Synthesis and reactivity of a strongly pyramidalized P(III)-compound embedded into a pyrrolide (ONO)<sup>3-</sup> pincer ligand.","Chemical communications (Cambridge, England)","2026","62","20","5696","5700","10.1039/d5cc07240a","","x-ray","0.71073","MoKα","","0.037","0.0307","","","0.0894","0.0943","","","","","","1.035","","","","has coordinates","305304","2026-04-05","11:42:11",""
"7135436","12.44","0.002","21.792","0.004","10.3344","0.0018","90","","113.814","0.003","90","","2563.1","0.8","296.15","","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H26 Fe2 Sb2 -","- C32 H26 Fe2 Sb2 -","- C128 H104 Fe8 Sb8 -","4","1","","Thakur, Arunabha; Murphy, Brendan L.; Jiang, You; Bhuvanesh, Nattamai; Gabbaï, François P","Fluoride ion chelation <i>via</i> pnictogen bonding using a distibora[1.1]ferrocenophane.","Chemical communications (Cambridge, England)","2026","62","18","5293","5296","10.1039/d5cc06492a","","","0.71073","MoKα","","0.0388","0.0285","","","0.0508","0.0538","","","","","","1.126","","","","has coordinates","305309","2026-04-05","11:43:37",""
"7135437","11.9378","0.0012","12.3613","0.0013","16.8723","0.0017","69.563","0.003","79.623","0.003","78.431","0.003","2269.2","0.4","110","","110","","","","","","","","","6","P -1","-P 1","2","","","","- C45 H28 Cl10 Fe2 O4 Sb2 -","- C45 H28 Cl10 Fe2 O4 Sb2 -","- C90 H56 Cl20 Fe4 O8 Sb4 -","2","1","","Thakur, Arunabha; Murphy, Brendan L.; Jiang, You; Bhuvanesh, Nattamai; Gabbaï, François P","Fluoride ion chelation <i>via</i> pnictogen bonding using a distibora[1.1]ferrocenophane.","Chemical communications (Cambridge, England)","2026","62","18","5293","5296","10.1039/d5cc06492a","","","0.71073","MoKα","","0.056","0.0368","","","0.0657","0.0709","","","","","","1.046","","","","has coordinates,has disorder","305309","2026-04-05","11:43:37",""
"7135438","7.5974","0.0002","8.8039","0.0003","10.737","0.0003","111.794","0.003","92.182","0.003","105.042","0.003","636.71","0.04","99.9","0.4","99.9","0.4","","","","","","","","4","P -1","-P 1","2","","","","- C32 H26 Fe2 Sb2 -","- C32 H26 Fe2 Sb2 -","- C32 H26 Fe2 Sb2 -","1","0.5","","Thakur, Arunabha; Murphy, Brendan L.; Jiang, You; Bhuvanesh, Nattamai; Gabbaï, François P","Fluoride ion chelation <i>via</i> pnictogen bonding using a distibora[1.1]ferrocenophane.","Chemical communications (Cambridge, England)","2026","62","18","5293","5296","10.1039/d5cc06492a","","x-ray","1.54184","CuKα","","0.0332","0.0315","","","0.0841","0.0851","","","","","","1.042","","","","has coordinates","305309","2026-04-05","11:43:37",""
"7135439","13.3688","0.0009","36.463","0.003","14.5282","0.001","90","","107.355","0.002","90","","6759.6","0.9","110","","110","","","","","","","","","9","C 1 c 1","C -2yc","9","","","","- C63.34 H72.02 Cl8 F Fe2 N O5.67 S1.67 Sb2 -","- C63.34 H72.02 Cl8 F Fe2 N O5.67 S1.67 Sb2 -","- C253.36 H288.08 Cl32 F4 Fe8 N4 O22.68 S6.68 Sb8 -","4","1","","Thakur, Arunabha; Murphy, Brendan L.; Jiang, You; Bhuvanesh, Nattamai; Gabbaï, François P","Fluoride ion chelation <i>via</i> pnictogen bonding using a distibora[1.1]ferrocenophane.","Chemical communications (Cambridge, England)","2026","62","18","5293","5296","10.1039/d5cc06492a","","","0.71073","MoKα","","0.0645","0.0477","","","0.1019","0.1106","","","","","","1.014","","","","has coordinates,has disorder","305309","2026-04-05","11:43:37",""
"7135440","6.9274","0.0005","21.8077","0.0016","20.0653","0.0015","90","","95.639","0.004","90","","3016.6","0.4","170","","170","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H19 N O4 S -","- C16 H19 N O4 S -","- C128 H152 N8 O32 S8 -","8","2","","Liu, Bifu; Zhang, Qiaoya; Zhang, Jun; Huang, Aidong; Zhong, Hulin; Feng, Kejun; Gao, Yang; Huo, Yanping; Chen, Qian; Li, Xianwei","Tunable regioselectivity for C-H alkynylation of weakly coordinating amides that tolerated strongly coordinating heterocycles.","Chemical communications (Cambridge, England)","2026","62","23","6373","6377","10.1039/d6cc00867d","","","1.54178","CuKα","","0.0804","0.0623","","","0.1534","0.1677","","","","","","1.089","","","","has coordinates","305315","2026-04-05","11:45:02",""
"7135441","7.5691","0.0008","9.6753","0.0009","11.606","0.0014","90","","104.937","0.004","90","","821.23","0.15","273.15","","273.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- B4 La O12 V3 -","- B4 La O12 V3 -","- B16 La4 O48 V12 -","4","0.5","","Wei, Yu-Long; Yao, Wen-Dong; Lv, Yi-Lei; Ma, Liang; Tang, Ru-Ling","REV<sub>3</sub>(BO<sub>3</sub>)<sub>4</sub> (RE = La-Nd): a series of rare earth vanadoborates exhibit large birefringence induced by distorted V<sup>III</sup>O<sub>6</sub> groups.","Chemical communications (Cambridge, England)","2026","62","18","5297","5301","10.1039/d6cc00362a","","","0.71073","MoKα","","0.0194","0.0171","","","0.0379","0.0383","","","","","","1.111","","","","has coordinates","305761","2026-05-05","08:46:45",""
"7135442","7.5498","0.0005","9.6596","0.0006","11.5824","0.0009","90","","104.918","0.002","90","","816.21","0.1","273.15","","273.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- B4 Ce O12 V3 -","- B4 Ce O12 V3 -","- B16 Ce4 O48 V12 -","4","0.5","","Wei, Yu-Long; Yao, Wen-Dong; Lv, Yi-Lei; Ma, Liang; Tang, Ru-Ling","REV<sub>3</sub>(BO<sub>3</sub>)<sub>4</sub> (RE = La-Nd): a series of rare earth vanadoborates exhibit large birefringence induced by distorted V<sup>III</sup>O<sub>6</sub> groups.","Chemical communications (Cambridge, England)","2026","62","18","5297","5301","10.1039/d6cc00362a","","","0.71073","MoKα","","0.0306","0.0242","","","0.0425","0.0439","","","","","","1.057","","","","has coordinates","305761","2026-05-05","08:46:45",""
"7135443","7.5261","0.0004","9.6411","0.0005","11.5559","0.0007","90","","104.807","0.002","90","","810.65","0.08","273.15","","273.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- B4 Nd O12 V3 -","- B4 Nd O12 V3 -","- B16 Nd4 O48 V12 -","4","0.5","","Wei, Yu-Long; Yao, Wen-Dong; Lv, Yi-Lei; Ma, Liang; Tang, Ru-Ling","REV<sub>3</sub>(BO<sub>3</sub>)<sub>4</sub> (RE = La-Nd): a series of rare earth vanadoborates exhibit large birefringence induced by distorted V<sup>III</sup>O<sub>6</sub> groups.","Chemical communications (Cambridge, England)","2026","62","18","5297","5301","10.1039/d6cc00362a","","","0.71073","MoKα","","0.0277","0.0221","","","0.041","0.0423","","","","","","1.064","","","","has coordinates","305761","2026-05-05","08:46:45",""
"7135444","7.5419","0.0009","9.6567","0.0013","11.5679","0.0014","90","","104.864","0.004","90","","814.3","0.18","273.15","","273.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- B4 O12 Pr V3 -","- B4 O12 Pr V3 -","- B16 O48 Pr4 V12 -","4","0.5","","Wei, Yu-Long; Yao, Wen-Dong; Lv, Yi-Lei; Ma, Liang; Tang, Ru-Ling","REV<sub>3</sub>(BO<sub>3</sub>)<sub>4</sub> (RE = La-Nd): a series of rare earth vanadoborates exhibit large birefringence induced by distorted V<sup>III</sup>O<sub>6</sub> groups.","Chemical communications (Cambridge, England)","2026","62","18","5297","5301","10.1039/d6cc00362a","","","0.71073","MoKα","","0.0244","0.0205","","","0.0373","0.0381","","","","","","1.07","","","","has coordinates","305761","2026-05-05","08:46:45",""
"7135445","6.539","0.0017","35.084","0.008","10.245","0.003","90","","94.713","0.009","90","","2342.4","1.1","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H45 B3 N2 -","- C24 H45 B3 N2 -","- C96 H180 B12 N8 -","4","1","","Bedi, Vaibhav; Ocampochua, Andrew Niles L.; Qu, Zheng-Wang; Grimme, Stefan; Stephan, Douglas W.","Reactions of phosphazines with primary and secondary boranes: adducts, rings and reduction.","Chemical communications (Cambridge, England)","2026","62","22","6123","6127","10.1039/d6cc00881j","","","0.71073","MoKα","","0.0726","0.057","","","0.1459","0.1536","","","","","","0.9791","","","","has coordinates","305288","2026-04-05","11:37:01",""
"7135446","10.598","0.0006","42.394","0.002","13.4643","0.0009","90","","92.053","0.002","90","","6045.5","0.6","150.01","","150.01","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C60 H75 B3 F17 N2 P2 -","- C60 H75 B3 F17 N2 P2 -","- C240 H300 B12 F68 N8 P8 -","4","1","","Bedi, Vaibhav; Ocampochua, Andrew Niles L.; Qu, Zheng-Wang; Grimme, Stefan; Stephan, Douglas W.","Reactions of phosphazines with primary and secondary boranes: adducts, rings and reduction.","Chemical communications (Cambridge, England)","2026","62","22","6123","6127","10.1039/d6cc00881j","","","0.71073","MoKα","","0.0595","0.049","","","0.13","0.1352","","","","","","1.024","","","","has coordinates","305288","2026-04-05","11:37:01",""
"7135447","12.882","0.001","18.1764","0.0013","22.7716","0.0018","89.856","0.003","87.89","0.003","78.647","0.003","5224","0.7","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C60 H32 B2 F20 N2 P2 -","- C60 H32 B2 F20 N2 P2 -","- C240 H128 B8 F80 N8 P8 -","4","2","","Bedi, Vaibhav; Ocampochua, Andrew Niles L.; Qu, Zheng-Wang; Grimme, Stefan; Stephan, Douglas W.","Reactions of phosphazines with primary and secondary boranes: adducts, rings and reduction.","Chemical communications (Cambridge, England)","2026","62","22","6123","6127","10.1039/d6cc00881j","","","0.71073","MoKα","","0.0962","0.0378","","","0.1027","0.1187","","","","","","0.906","","","","has coordinates","305288","2026-04-05","11:37:01",""
"7135448","13.1429","0.0007","25.7801","0.0013","13.7285","0.0006","90","","98.058","0.002","90","","4605.6","0.4","150.01","","150.01","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C53 H41 B F10 N2 P2 -","- C53 H41 B F10 N2 P2 -","- C212 H164 B4 F40 N8 P8 -","4","1","","Bedi, Vaibhav; Ocampochua, Andrew Niles L.; Qu, Zheng-Wang; Grimme, Stefan; Stephan, Douglas W.","Reactions of phosphazines with primary and secondary boranes: adducts, rings and reduction.","Chemical communications (Cambridge, England)","2026","62","22","6123","6127","10.1039/d6cc00881j","","","0.71073","MoKα","","0.0501","0.0414","","","0.1171","0.1214","","","","","","1.014","","","","has coordinates","305288","2026-04-05","11:37:01",""
"7135449","11.6875","0.0014","19.101","0.003","21.623","0.003","113.71","0.003","99.873","0.004","91.176","0.004","4332.8","1.1","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C51 H38 B F8 N2 P2 -","- C51 H38 B F8 N2 P2 -","- C204 H152 B4 F32 N8 P8 -","4","2","","Bedi, Vaibhav; Ocampochua, Andrew Niles L.; Qu, Zheng-Wang; Grimme, Stefan; Stephan, Douglas W.","Reactions of phosphazines with primary and secondary boranes: adducts, rings and reduction.","Chemical communications (Cambridge, England)","2026","62","22","6123","6127","10.1039/d6cc00881j","","","0.71073","MoKα","","0.1142","0.0452","","","0.0883","0.0987","","","","","","0.7335","","","","has coordinates","305288","2026-04-05","11:37:01",""
"7135450","16.6288","0.0007","9.5465","0.0004","19.9075","0.0009","90","","107.989","0.005","90","","3005.8","0.2","153","4","153","4","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C15 H12 Br O2 S1.5 -","- C15 H12 Br O2 S1.5 -","- C120 H96 Br8 O16 S12 -","8","1","","Tiwari, Shashikant; Kumar, Nitin; Rawat, Diwan S.","Stereoselective thiosulfonylation of alkynes using sodium thiosulfate as a sulfur transfer agent to access <i>bis</i>-(<i>Z</i>)-vinyl sulfones.","Chemical communications (Cambridge, England)","2026","62","25","6751","6754","10.1039/d5cc07298k","","x-ray","0.71073","MoKα","","0.0478","0.0335","","","0.0713","0.0745","","","","","","1.03","","","","has coordinates","305298","2026-04-05","11:41:22",""
"7135451","6.9287","0.0004","24.5829","0.0013","20.8338","0.0011","90","","93.895","0.005","90","","3540.4","0.3","297.78","0.17","297.78","0.17","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H42 O4 S3 -","- C38 H42 O4 S3 -","- C152 H168 O16 S12 -","4","1","","Tiwari, Shashikant; Kumar, Nitin; Rawat, Diwan S.","Stereoselective thiosulfonylation of alkynes using sodium thiosulfate as a sulfur transfer agent to access <i>bis</i>-(<i>Z</i>)-vinyl sulfones.","Chemical communications (Cambridge, England)","2026","62","25","6751","6754","10.1039/d5cc07298k","","x-ray","0.71073","MoKα","","0.1024","0.0816","","","0.2118","0.2223","","","","","","1.083","","","","has coordinates","305298","2026-04-05","11:41:22",""
"7135452","11.2703","0.0015","9.7437","0.0012","17.104","0.002","90","","94.312","0.003","90","","1872.9","0.4","173","2","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 N O S -","- C19 H17 N O S -","- C76 H68 N4 O4 S4 -","4","1","","Xu, Yongqiang; Li, Wenkai; Gu, Xiaoli; Zhou, Yuhan; Qu, Jingping; Wang, Baomin","Construction of oxindole spiro medium-sized S-heterocycles <i>via</i> ring expansion [2,3]-sigmatropic rearrangement.","Chemical communications (Cambridge, England)","2026","62","15","4545","4548","10.1039/d5cc06578j","","","0.71073","MoKα","","0.0975","0.0688","","","0.1463","0.1602","","","","","","1.031","","","","has coordinates","304602","2026-02-24","22:56:35",""
"7135453","16.64","0.005","13.25","0.004","7.717","0.002","90","","95.778","0.008","90","","1692.8","0.8","120","","120","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 Br N O S -","- C20 H18 Br N O S -","- C80 H72 Br4 N4 O4 S4 -","4","1","","Xu, Yongqiang; Li, Wenkai; Gu, Xiaoli; Zhou, Yuhan; Qu, Jingping; Wang, Baomin","Construction of oxindole spiro medium-sized S-heterocycles <i>via</i> ring expansion [2,3]-sigmatropic rearrangement.","Chemical communications (Cambridge, England)","2026","62","15","4545","4548","10.1039/d5cc06578j","","","0.71073","MoKα","","0.1176","0.0579","","","0.122","0.151","","","","","","0.977","","","","has coordinates","304602","2026-02-24","22:56:36",""
"7135454","8.0368","0.0006","14.1257","0.0011","14.1169","0.0011","90","","95.904","0.002","90","","1594.1","0.2","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 N O S -","- C20 H17 N O S -","- C80 H68 N4 O4 S4 -","4","1","","Xu, Yongqiang; Li, Wenkai; Gu, Xiaoli; Zhou, Yuhan; Qu, Jingping; Wang, Baomin","Construction of oxindole spiro medium-sized S-heterocycles <i>via</i> ring expansion [2,3]-sigmatropic rearrangement.","Chemical communications (Cambridge, England)","2026","62","15","4545","4548","10.1039/d5cc06578j","","","0.71073","MoKα","","0.1119","0.0686","","","0.1561","0.2076","","","","","","1.096","","","","has coordinates","304602","2026-02-24","22:56:36",""
"7135455","7.0549","0.0011","15.033","0.003","17.847","0.004","65.113","0.006","87.985","0.005","89.238","0.006","1716","0.6","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H18 Br N O S -","- C20 H18 Br N O S -","- C80 H72 Br4 N4 O4 S4 -","4","2","","Xu, Yongqiang; Li, Wenkai; Gu, Xiaoli; Zhou, Yuhan; Qu, Jingping; Wang, Baomin","Construction of oxindole spiro medium-sized S-heterocycles <i>via</i> ring expansion [2,3]-sigmatropic rearrangement.","Chemical communications (Cambridge, England)","2026","62","15","4545","4548","10.1039/d5cc06578j","","","0.71073","MoKα","","0.1049","0.073","","","0.197","0.2179","","","","","","1.1","","","","has coordinates","304602","2026-02-24","22:56:36",""
"7135456","7.5341","0.0008","14.4259","0.0014","16.8748","0.0017","90","","92.484","0.005","90","","1832.3","0.3","298.15","","298.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2,4-difluorophenylboronic acid catechol ester adduct of 4,4,'-azopyridine benzene solvate","","- C40 H28 B2 F4 N4 O4 -","- C40 H28 B2 F4 N4 O4 -","- C80 H56 B4 F8 N8 O8 -","2","0.5","","Campillo-Alvarado, Gonzalo; Vargas-Olvera, Eva C; Swenson, Dale C.; Morales-Rojas, Hugo; Höpfl, Herbert; MacGillivray, Leonard R.","Rotisserie-like motion enables guest transport in a nonporous organic crystal involving a diboron host.","Chemical communications (Cambridge, England)","2026","62","15","4519","4522","10.1039/d5cc05394c","","","0.71073","MoKα","","0.1749","0.066","","","0.1601","0.21","","","","","","0.954","","","","has coordinates,has disorder","304603","2026-02-24","22:57:08",""
"7135457","7.3611","0.0012","13.623","0.002","15.855","0.003","90","","102.723","0.011","90","","1550.9","0.5","298.15","","298.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","2,4-difluorophenylboronic acid catechol ester adduct of 4,4,'-azopyridine","","- C34 H22 B2 F4 N4 O4 -","- C34 H22 B2 F4 N4 O4 -","- C68 H44 B4 F8 N8 O8 -","2","0.5","","Campillo-Alvarado, Gonzalo; Vargas-Olvera, Eva C; Swenson, Dale C.; Morales-Rojas, Hugo; Höpfl, Herbert; MacGillivray, Leonard R.","Rotisserie-like motion enables guest transport in a nonporous organic crystal involving a diboron host.","Chemical communications (Cambridge, England)","2026","62","15","4519","4522","10.1039/d5cc05394c","","","0.71073","MoKα","","0.2115","0.0809","","","0.1551","0.1857","","","","","","0.999","","","","has coordinates,has disorder","304603","2026-02-24","22:57:09",""
"7135458","12.6124","0.0013","15.3927","0.0015","17.4936","0.0017","90","","105.945","0.005","90","","3265.5","0.6","190.15","","190.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2,4-difluorophenylboronic acid catechol ester adduct of 4,4,'-azopyridine","","- C37 H25 B2 F4 N4 O4 -","- C37 H25 B2 F4 N4 O4 -","- C148 H100 B8 F16 N16 O16 -","4","1","","Campillo-Alvarado, Gonzalo; Vargas-Olvera, Eva C; Swenson, Dale C.; Morales-Rojas, Hugo; Höpfl, Herbert; MacGillivray, Leonard R.","Rotisserie-like motion enables guest transport in a nonporous organic crystal involving a diboron host.","Chemical communications (Cambridge, England)","2026","62","15","4519","4522","10.1039/d5cc05394c","","","0.71073","MoKα","","0.1303","0.0719","","","0.1799","0.2171","","","","","","1.03","","","","has coordinates,has disorder","304603","2026-02-24","22:57:09",""
"7135459","9.5015","0.0007","10.5542","0.0008","12.0742","0.0009","68.976","0.002","87.437","0.002","76.468","0.002","1097.8","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H20 F N3 O3 -","- C27 H20 F N3 O3 -","- C54 H40 F2 N6 O6 -","2","1","","Boruah, Deepjyoti; Ghosh, Subhendu; Mandal, Raju; Patel, Bhisma K.","Photosensitizer-free polarity-mismatched electrophilic α,α-bis-functionalization of acetone with quinoxaline and maleimide.","Chemical communications (Cambridge, England)","2026","62","15","4561","4564","10.1039/d6cc00491a","","","0.71073","MoKα","","0.0561","0.0461","","","0.1318","0.155","","","","","","0.943","","","","has coordinates","304604","2026-02-24","22:57:26",""
"7135460","9.9729","0.0004","10.3862","0.0005","12.3764","0.0006","94.304","0.004","98.744","0.004","102.558","0.004","1228.95","0.1","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H23 N5 -","- C32 H23 N5 -","- C64 H46 N10 -","2","1","","Perumal, Karuppaiah; Shanthi, Markabandhu; Hemamalini, Vijayakumar; Shankar, Bhaskaran; Ramesh, Subburethinam","Metal-free, iodine-mediated multicomponent synthesis of bis-pyrazolo-pyridine derivatives.","Chemical communications (Cambridge, England)","2026","62","23","6356","6359","10.1039/d6cc00245e","","","0.71073","MoKα","","0.059","0.0471","","","0.1251","0.1306","","","","","","1.096","","","","has coordinates","305763","2026-05-05","08:46:54",""
"7135461","8.4801","0.0013","13.367","0.002","16.142","0.003","100.569","0.004","104.558","0.005","105.991","0.004","1638.5","0.5","100","","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H34 Cl2 Mn N4 Ni O14 -","- C26 H34 Cl2 Mn N4 Ni O14 -","- C52 H68 Cl4 Mn2 N8 Ni2 O28 -","2","1","","Bhadauriya, Kiran; Goyal, Ayusie; Kumar, Rakesh; Singh, Baghendra; Draksharapu, Apparao","Heterometallic molecular Ni-salen catalysts for efficient electrocatalytic oxygen evolution reaction.","Chemical communications (Cambridge, England)","2026","62","23","6396","6399","10.1039/d5cc07209c","","x-ray","0.71073","MoKα","","0.1339","0.1256","","","0.2839","0.2877","","","","","","1.233","","","","has coordinates,has disorder","305314","2026-04-05","11:44:50",""
"7135462","12.1492","0.0004","15.5959","0.0005","18.6011","0.0006","89.457","0.001","78.403","0.001","76.541","0.001","3355.15","0.19","100","","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C66 H78 Cl2 Co N6 Ni3 O23 -","- C66 H78 Cl2 Co N6 Ni3 O23 -","- C132 H156 Cl4 Co2 N12 Ni6 O46 -","2","1","","Bhadauriya, Kiran; Goyal, Ayusie; Kumar, Rakesh; Singh, Baghendra; Draksharapu, Apparao","Heterometallic molecular Ni-salen catalysts for efficient electrocatalytic oxygen evolution reaction.","Chemical communications (Cambridge, England)","2026","62","23","6396","6399","10.1039/d5cc07209c","","x-ray","0.71073","MoKα","","0.0867","0.0782","","","0.1723","0.1756","","","","","","1.27","","","","has coordinates,has disorder","305314","2026-04-05","11:44:50",""
"7135463","18","0.003","20.4","0.003","12.978","0.002","90","","108.789","0.006","90","","4511.6","1.2","100","","100","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C44 H47 Cl2 Fe N4 Ni2 O16 -","- C44 H47 Cl2 Fe N4 Ni2 O16 -","- C176 H188 Cl8 Fe4 N16 Ni8 O64 -","4","1","","Bhadauriya, Kiran; Goyal, Ayusie; Kumar, Rakesh; Singh, Baghendra; Draksharapu, Apparao","Heterometallic molecular Ni-salen catalysts for efficient electrocatalytic oxygen evolution reaction.","Chemical communications (Cambridge, England)","2026","62","23","6396","6399","10.1039/d5cc07209c","","x-ray","0.71073","MoKα","","0.0745","0.0457","","","0.1009","0.1197","","","","","","1.034","","","","has coordinates","305314","2026-04-05","11:44:50",""
"7135464","13.6618","0.0003","14.754","0.0003","19.1796","0.0005","72.997","0.002","71.086","0.002","88.933","0.002","3484.94","0.15","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C66 H71 N11 O16 S4 -","- C66.001 H63.732 N11 O16.001 S4 -","- C132.002 H127.464 N22 O32.002 S8 -","2","1","","Yang, Yi; Zhou, Bin; Dai, Yu-Ying; Cao, Li-Hui","Solvent-induced structural transformation in luminescence-enhanced polymorphic ionic HOFs.","Chemical communications (Cambridge, England)","2026","62","20","5691","5695","10.1039/d6cc00927a","","x-ray","1.54184","CuKα","","0.1131","0.0985","","","0.2522","0.2629","","","","","","1.05","","","","has coordinates,has disorder","305303","2026-04-05","11:42:01",""
"7135465","13.9046","0.0002","14.577","0.0002","19.1732","0.0003","96.614","0.001","111.196","0.002","101.551","0.001","3474.23","0.11","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C131 H152 N20 O37 S8 -","- C131.002 H108 N20 O37.002 S8 -","- C131.002 H108 N20 O37.002 S8 -","1","0.5","","Yang, Yi; Zhou, Bin; Dai, Yu-Ying; Cao, Li-Hui","Solvent-induced structural transformation in luminescence-enhanced polymorphic ionic HOFs.","Chemical communications (Cambridge, England)","2026","62","20","5691","5695","10.1039/d6cc00927a","","x-ray","1.54184","CuKα","","0.0671","0.057","","","0.1611","0.169","","","","","","1.048","","","","has coordinates,has disorder","305303","2026-04-05","11:42:01",""
"7135466","19.057","0.006","19.057","0.006","7.058","0.004","90","","90","","120","","2219.8","1.6","95","","95","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- C24 H16 Cu2 O10 -","- C24 H16 Cu2 O10 -","- C72 H48 Cu6 O30 -","3","0.25","","Takahara, Teppei; Usuba, Junichi; Kusaka, Shinpei; Hijikata, Yuh; Iguchi, Hiroaki; Kato, Kenichi; Matsuda, Ryotaro","Expansion of pore size and interlayer distance in a Kagomé-type MOF engineered through the geometric features of azulene.","Chemical communications (Cambridge, England)","2026","62","23","6346","6350","10.1039/d6cc00074f","","x-ray","0.75","synchrotron","","0.0605","0.048","","","0.1446","0.1521","","","","","","1.113","","","","has coordinates","305762","2026-05-05","08:46:51",""
"7135467","7.6243","0.0002","10.6505","0.0003","19.4172","0.0005","90","","90","","90","","1576.73","0.07","140","","140","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H15 Fe N O4 -","- C18 H15 Fe N O4 -","- C72 H60 Fe4 N4 O16 -","4","1","","Gupta, Princi; Patel, Brijesh; Waske, Shivam; Madhavan, Suchithra; Kapur, Manmohan","Native carboxylate-assisted palladium/norbornene-mediated distal C-H functionalization of ferrocene.","Chemical communications (Cambridge, England)","2026","62","23","6364","6367","10.1039/d6cc00066e","","","1.54178","CuKα","","0.0333","0.0317","","","0.0805","0.0811","","","","","","1.106","","","","has coordinates","305316","2026-04-05","11:45:11",""
"7135468","13.9789","0.0003","14.6991","0.0004","17.4435","0.0005","74.253","0.002","87.805","0.002","69.205","0.002","3218.28","0.16","120","0.1","120","0.1","","","","","","","","7","P -1","-P 1","2","","MKS-3","","- C44 H67 Cl6 K N9 O16.25 U3 -","- C35 H49 Cl6 K N9 O14 U3 -","- C70 H98 Cl12 K2 N18 O28 U6 -","2","1","","Singh, Mukesh K.; Sproules, Stephen; Love, Jason B.","Stabilisation and characterisation of a trinuclear uranyl complex by ligand-radical formation.","Chemical communications (Cambridge, England)","2026","62","20","5660","5664","10.1039/d5cc06420a","","x-ray","0.71073","MoKα","","0.0527","0.0365","","","0.0711","0.0763","","","","","","0.991","","","","has coordinates","305306","2026-04-05","11:42:25",""
"7135469","13.7395","0.0015","10.4643","0.0012","16.2174","0.0018","90","","98.524","0.004","90","","2305.9","0.4","150","2","150","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H23 O3 P -","- C29 H23 O3 P -","- C116 H92 O12 P4 -","4","1","","Khantong, Adisorn; Chemin, Alexandre; Galangau, Olivier; Le Guennic, Boris; Jacquemin, Denis; Bouit, Pierre-Antoine","Make the ylides shine: synthesis and structure-property relationships of phospha-squaraines.","Chemical communications (Cambridge, England)","2026","62","24","6563","6566","10.1039/d6cc00100a","","x-ray","0.71073","MoKα","","0.0546","0.0433","","","0.1049","0.1129","","","","","","1.055","","","","has coordinates","305280","2026-04-05","11:34:27",""
"7135470","19.759","0.006","20.696","0.006","22.251","0.007","88.498","0.005","88.172","0.005","84.406","0.006","9049","5","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C174 H178 Ag14 O18 Pt S12 -","- C174 H178 Ag14 O18 Pt S12 -","- C348 H356 Ag28 O36 Pt2 S24 -","2","1","","Yu, Linlin; Ren, Yonggang; Han, Yue; Ma, Along; Zhang, Shuo; Zhang, Linwen; Wang, Shuxin","Modulation of the surface active site number in Pt1Ag14 nanoclusters by ligand engineering to boost photocatalytic H<sub>2</sub> production.","Chemical communications (Cambridge, England)","2026","62","10","3373","3377","10.1039/d5cc06595j","","","0.71073","MoKα","","0.0898","0.0564","","","0.1271","0.1404","","","","","","1.079","","","","has coordinates","304675","2026-03-03","23:12:59",""
"7135471","8.2913","0.0007","42.949","0.004","25.2756","0.0019","90","","90","","90","","9000.7","1.3","193","","193","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C71 H51 B2 Cl N2 O7 -","- C71 H51 B2 Cl N2 O7 -","- C284 H204 B8 Cl4 N8 O28 -","4","0.5","","Wang, Yan-Fang; Cai, Youlie; Du, Zhenglin; Xiao, Ding; Wang, Mengbin; Liu, Ming; Li, Guangfeng","Rigid arc-shaped ligands for the fabrication of dative B-N-bonded crystalline porous polymers.","Chemical communications (Cambridge, England)","2026","62","10","3313","3316","10.1039/d5cc07001e","","x-ray","1.34139","GaKα","","0.2241","0.176","","","0.3608","0.3828","","","","","","1.037","","","","has coordinates,has disorder","304676","2026-03-03","23:14:05",""
"7135472","43.8807","0.0006","24.9175","0.0007","8.3149","0.0001","90","","94.544","0.001","90","","9062.9","0.3","200","0.1","200","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C105 H96 B2 N2 O7 -","- C105 H96 B2 N2 O7 -","- C420 H384 B8 N8 O28 -","4","1","","Wang, Yan-Fang; Cai, Youlie; Du, Zhenglin; Xiao, Ding; Wang, Mengbin; Liu, Ming; Li, Guangfeng","Rigid arc-shaped ligands for the fabrication of dative B-N-bonded crystalline porous polymers.","Chemical communications (Cambridge, England)","2026","62","10","3313","3316","10.1039/d5cc07001e","","x-ray","1.54184","CuKα","","0.092","0.0662","","","0.1699","0.1838","","","","","","1.078","","","","has coordinates,has disorder","304676","2026-03-03","23:14:06",""
"7135473","7.1333","0.0009","12.758","0.0019","20.093","0.003","102.376","0.004","90.215","0.004","94.854","0.004","1779.2","0.4","293","2","293","2","","","","","","","","3","P 1","P 1","1","","","","- C86 H110 O6 -","- C86 H110 O6 -","- C86 H110 O6 -","1","1","","Wang, Meng; Song, Yuxuan; Wang, Zhixuan; Xu, Bin; Tian, Wenjing","Solvent-dependent self-assemblies with multi-inverted circularly polarized luminescence based on 9,10-distyrylanthracene.","Chemical communications (Cambridge, England)","2026","62","10","3334","3337","10.1039/d5cc05562h","","","0.71073","MoKα","","0.0717","0.0688","","","0.1905","0.1968","","","","","","1.053","","","","has coordinates,has disorder","304677","2026-03-03","23:14:29",""
"7135474","19.1428","0.0019","10.6392","0.001","19.4801","0.0019","90","","101.946","0.003","90","","3881.5","0.7","300","","300","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H22 N6 O -","- C21 H22 N6 O -","- C168 H176 N48 O8 -","8","2","","Jiang, Jingjing; Zhang, Jinghan; Huang, Nan; Xu, Haocheng; Liu, Xintao; Li, Jiayin; Zhou, Xinlong; Zhao, Jingjing; Li, Pan","Lewis acid-switched regiodivergent <i>N</i><sup>1</sup>/<i>N</i><sup>2</sup>-alkylation of ben-zotriazoles with α-hydroxyl diazo compounds.","Chemical communications (Cambridge, England)","2026","62","10","3279","3282","10.1039/d5cc07167d","","","0.71073","MoKα","","0.235","0.1122","","","0.265","0.3328","","","","","","1.028","","","","has coordinates","304678","2026-03-03","23:15:13",""
"7135475","19.85","0.002","9.741","0.002","19.851","0.003","90","","112.07","0.007","90","","3557.1","1","296.3","","296.3","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C17 H21 N5 O2 -","- C17 H21 N5 O2 -","- C136 H168 N40 O16 -","8","1","","Jiang, Jingjing; Zhang, Jinghan; Huang, Nan; Xu, Haocheng; Liu, Xintao; Li, Jiayin; Zhou, Xinlong; Zhao, Jingjing; Li, Pan","Lewis acid-switched regiodivergent <i>N</i><sup>1</sup>/<i>N</i><sup>2</sup>-alkylation of ben-zotriazoles with α-hydroxyl diazo compounds.","Chemical communications (Cambridge, England)","2026","62","10","3279","3282","10.1039/d5cc07167d","","","0.71073","MoKα","","0.1531","0.0675","","","0.1678","0.2181","","","","","","1.012","","","","has coordinates","304678","2026-03-03","23:15:14",""
"7135476","7.5529","0.0002","14.0354","0.0004","16.8483","0.0005","110.038","0.002","98.621","0.002","90.387","0.002","1655.73","0.08","200","0.2","200","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H42 N2 O2 -","- C42 H42 N2 O2 -","- C84 H84 N4 O4 -","2","1","","Zwaihed, Walaa; Maurel, François; Allain, Magali; Pauli, Guido F.; Cabanetos, Clément; Kobeissi, Marwan; Schmaltz, Bruno","From benzyl to fluorenyl: enhancing photostability and modulating optoelectronic properties of <i>para</i>-azaquinodimethanes.","Chemical communications (Cambridge, England)","2026","62","10","3347","3351","10.1039/d5cc06382e","","","1.54184","CuKα","","0.0467","0.0418","","","0.1125","0.118","","","","","","1.029","","","","has coordinates","304679","2026-03-03","23:15:46",""
"7135477","7.374","0.0003","8.7891","0.0003","16.2598","0.0007","92.277","0.002","94.132","0.002","103.09","0.002","1022.05","0.07","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H16 Br N O2 S -","- C25 H16 Br N O2 S -","- C50 H32 Br2 N2 O4 S2 -","2","1","","Pal, Satyajit; Sarkar, Subhankar; Pramanik, Tanmay; Santra, Sougata; Majee, Adinath","PhI(OCOCF<sub>3</sub>)<sub>2</sub>-mediated metal-free 2,3-difunctionalization of indoles: direct access to carbochalcogenated scaffolds.","Chemical communications (Cambridge, England)","2026","62","10","3326","3329","10.1039/d5cc05979h","","","0.71073","MoKα","","0.1014","0.0564","","","0.1346","0.1554","","","","","","0.867","","","","has coordinates","304680","2026-03-03","23:16:19",""
"7135478","9.708","0.002","14.094","0.003","14.845","0.003","73.353","0.012","84.16","0.012","70.601","0.012","1835.5","0.7","100","0.5","100","0.5","","","","","","","","4","P -1","-P 1","2","","","","- C90 H90 N6 O4 -","- C90 H90 N6 O4 -","- C90 H90 N6 O4 -","1","0.5","","Herman, Robert J.; Jalife, Said; LeBlanc, Abigail G.; Khan, Muhammad Usama Gul; Stewart, Marvin L.; Njoroge, Sheila W.; Tanha, Sajila Riman; Fronczek, Frank R.; Wu, Judy; Lee, Semin","Selective strain-promoted reactivity of a fluorene-derived [6]cycloparaphenyleneacetylene carbon nanohoop.","Chemical communications (Cambridge, England)","2026","62","1","243","246","10.1039/d5cc05493a","","","1.54184","CuKα","","0.3095","0.128","","","0.3005","0.3878","","","","","","1.024","","","","has coordinates,has disorder","304681","2026-03-03","23:17:11",""
"7135479","18.272","0.004","25.467","0.007","9.441","0.003","90","","103.359","0.015","90","","4274","2","100","0.5","100","0.5","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C98 H88 Cl6 N6 -","- C98 H88 Cl6 N6 -","- C196 H176 Cl12 N12 -","2","0.5","","Herman, Robert J.; Jalife, Said; LeBlanc, Abigail G.; Khan, Muhammad Usama Gul; Stewart, Marvin L.; Njoroge, Sheila W.; Tanha, Sajila Riman; Fronczek, Frank R.; Wu, Judy; Lee, Semin","Selective strain-promoted reactivity of a fluorene-derived [6]cycloparaphenyleneacetylene carbon nanohoop.","Chemical communications (Cambridge, England)","2026","62","1","243","246","10.1039/d5cc05493a","","","1.54184","CuKα","","0.2386","0.1428","","","0.3603","0.4055","","","","","","1.24","","","","has coordinates","304681","2026-03-03","23:17:11",""
"7135480","10.825","0.004","18.566","0.006","19.147","0.006","107.809","0.012","100.919","0.011","93.994","0.011","3564","2","100","0.5","100","0.5","","","","","","","","3","P -1","-P 1","2","","","","- C91.3 H90.6 O2.33 -","- C82 H72 -","- C164 H144 -","2","1","","Herman, Robert J.; Jalife, Said; LeBlanc, Abigail G.; Khan, Muhammad Usama Gul; Stewart, Marvin L.; Njoroge, Sheila W.; Tanha, Sajila Riman; Fronczek, Frank R.; Wu, Judy; Lee, Semin","Selective strain-promoted reactivity of a fluorene-derived [6]cycloparaphenyleneacetylene carbon nanohoop.","Chemical communications (Cambridge, England)","2026","62","1","243","246","10.1039/d5cc05493a","","","0.56086","AgKα","","0.1304","0.0821","","","0.2128","0.2468","","","","","","1.012","","","","has coordinates","304681","2026-03-03","23:17:11",""
"7135481","38.578","0.009","38.578","0.009","38.578","0.009","90","","90","","90","","57414","2","173","","173","","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C66 H18 N6 O41 Zn5 -","- C66 H18 N6 O41 Zn5 -","- C1056 H288 N96 O656 Zn80 -","16","0.0833333","","Lin, Lin; Wang, Zihao; Zhao, Xinhui; Alezi, Dalal; Jia, Jiangtao","A reticular chemistry approach to constructing metal-organic frameworks with <i>hmc</i> topology using organic cage building blocks.","Chemical communications (Cambridge, England)","2026","62","8","2603","2606","10.1039/d5cc06047h","","","0.71073","MoKα","","0.0985","0.0724","","","0.2142","0.2443","","","","","","1.091","","","","has coordinates,has disorder","304682","2026-03-03","23:18:19",""
"7135482","5.34785","0.00012","9.40623","0.00018","14.69319","0.0002","83.7804","0.0013","88.77","0.0014","89.4031","0.0017","734.57","0.02","99.99","0.1","99.99","0.1","","","","","","","","5","P 1","P 1","1","","","","- C20 H36 N6 O14 S3 -","- C20 H36 N6 O14 S3 -","- C20 H36 N6 O14 S3 -","1","1","","Yazaki, Masana; Zhang, Yaozhuo; Zhou, Lin; Morise, Ryo; Akaike, Takaaki; Arisawa, Mieko","Acid-catalyzed esterification and biotin/fluorescent labeling of glutathione polysulfides based on stability under heating and pH change.","Chemical communications (Cambridge, England)","2026","62","8","2668","2671","10.1039/d5cc07029e","","x-ray","1.54184","CuKα","","0.0341","0.0326","","","0.082","0.0829","","","","","","1.06","","","","has coordinates","304683","2026-03-03","23:18:53",""
"7135483","16.9196","0.0002","12.7575","0.0002","20.1848","0.0003","90","","91.289","0.001","90","","4355.82","0.11","120","0.4","120.15","","","","","","","","","4","I 1 2 1","I 2y","5","","","","- C80 H136 Ag8 S8 -","- C80 H136 Ag8 S8 -","- C160 H272 Ag16 S16 -","2","0.5","","Hao, Jingbin; Wu, Shenao; Cao, Jiayun; Li, Qinzhen; Chai, Jinsong; Gao, Guiqi; Xiong, Lin; Yang, Sha; Zhu, Manzhou","Exploring the origin of chirality in Ag<sub>8</sub> clusters based on modular disassembly.","Chemical communications (Cambridge, England)","2026","62","8","2572","2575","10.1039/d5cc06965c","","","1.54184","CuKα","","0.067","0.0634","","","0.1684","0.1714","","","","","","1.062","","","","has coordinates","304684","2026-03-03","23:19:41",""
"7135484","16.9038","0.0001","12.7806","0.0001","20.1609","0.0001","90","","91.331","0.001","90","","4354.4","0.05","120","0.4","120.15","","","","","","","","","4","I 1 2 1","I 2y","5","","","","- C80 H136 Ag8 S8 -","- C80 H136 Ag8 S8 -","- C160 H272 Ag16 S16 -","2","0.5","","Hao, Jingbin; Wu, Shenao; Cao, Jiayun; Li, Qinzhen; Chai, Jinsong; Gao, Guiqi; Xiong, Lin; Yang, Sha; Zhu, Manzhou","Exploring the origin of chirality in Ag<sub>8</sub> clusters based on modular disassembly.","Chemical communications (Cambridge, England)","2026","62","8","2572","2575","10.1039/d5cc06965c","","","1.54184","CuKα","","0.0328","0.0325","","","0.088","0.0887","","","","","","1.086","","","","has coordinates,has disorder","304684","2026-03-03","23:19:41",""
"7135485","16.0438","0.0014","20.1986","0.0017","14.2693","0.0013","90","","90","","90","","4624.1","0.7","296.15","","296.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C27 H21 N O4 S -","- C27 H21 N O4 S -","- C216 H168 N8 O32 S8 -","8","2","","Su, Yin; Sun, Ziyi; Zhao, Quansheng; Fu, Liang","Facile synthesis of multisubstituted 2,3-dihydrofurans <i>via</i> intermolecular cyclization of enals or alkyl/aryl aldehydes with acyl-stabilized sulfur ylides.","Chemical communications (Cambridge, England)","2026","62","8","2585","2588","10.1039/d5cc06219e","","x-ray","0.71073","MoKα","","0.0787","0.0489","","","0.1033","0.1187","","","","","","1.071","","","","has coordinates,has disorder","304685","2026-03-03","23:20:23",""
"7135486","9.778","0.003","14.662","0.005","15.35","0.005","89.547","0.008","78.444","0.007","73.771","0.007","2067.4","1.2","296.15","0.1","296.15","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C24 H17 Br O2 S -","- C24 H17 Br O2 S -","- C96 H68 Br4 O8 S4 -","4","2","","Su, Yin; Sun, Ziyi; Zhao, Quansheng; Fu, Liang","Facile synthesis of multisubstituted 2,3-dihydrofurans <i>via</i> intermolecular cyclization of enals or alkyl/aryl aldehydes with acyl-stabilized sulfur ylides.","Chemical communications (Cambridge, England)","2026","62","8","2585","2588","10.1039/d5cc06219e","","x-ray","0.71073","MoKα","","0.1181","0.0536","","","0.1122","0.1404","","","","","","1.012","","","","has coordinates,has disorder","304685","2026-03-03","23:20:24",""
"7135487","38.599","0.004","38.599","0.004","27.82","0.007","90","","90","","90","","41449","12","296.3","","296.3","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- Ce8 K5 O336 Te8 W88 -","- Ce8 K5 O336 Te8 W88 -","- Ce32 K20 O1344 Te32 W352 -","4","0.25","","Lin, Xiao-Ling; Cao, Jia-Wei; Li, Shi-Xiong; Liu, Yu-Feng; Yang, Guo-Ping","Self-assembly of a tellurotungstate skeleton inlaid with Ce(III) for efficient photocatalytic synthesis of quinazolines.","Chemical communications (Cambridge, England)","2026","62","8","2619","2623","10.1039/d5cc06602f","","","0.71073","MoKα","","0.0976","0.0707","","","0.1724","0.1868","","","","","","1.08","","","","has coordinates","304686","2026-03-03","23:21:03",""
"7135488","20.5528","0.001","14.096","0.0004","11.5518","0.0003","90","","90","","90","","3346.7","0.2","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C34 H28 Cd N4 O5 S2 -","- C34 H28 Cd N4 O5 S2 -","- C136 H112 Cd4 N16 O20 S8 -","4","0.5","","Song, Wei-Chao; Niu, Zi-Yi; Ding, Bo; Wang, Xiu-Guang; Yang, En-Cui","Photosalient Cd(II) complexes by visible-light-driven single-crystal-to-single-crystal [2+2] stereoselective cycloaddition.","Chemical communications (Cambridge, England)","2026","62","8","2589","2593","10.1039/d5cc05819h","","x-ray","1.54184","CuKα","","0.0529","0.0398","","","0.0922","0.1012","","","","","","1.031","","","","has coordinates,has disorder","304687","2026-03-03","23:21:46",""
"7135489","8.9359","0.0012","34.849","0.005","23.558","0.003","90","","99.623","0.003","90","","7232.9","1.7","296","2","296.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C68 H36 Cd2 F20 N8 O10 S4 -","- C68 H36 Cd2 F20 N8 O10 S4 -","- C272 H144 Cd8 F80 N32 O40 S16 -","4","1","","Song, Wei-Chao; Niu, Zi-Yi; Ding, Bo; Wang, Xiu-Guang; Yang, En-Cui","Photosalient Cd(II) complexes by visible-light-driven single-crystal-to-single-crystal [2+2] stereoselective cycloaddition.","Chemical communications (Cambridge, England)","2026","62","8","2589","2593","10.1039/d5cc05819h","","","0.71073","MoKα","","0.1207","0.0671","","","0.1609","0.1902","","","","","","1.029","","","","has coordinates,has disorder","304687","2026-03-03","23:21:46",""
"7135490","8.41379","0.00016","36.0269","0.0007","23.0429","0.0005","90","","95.148","0.002","90","","6956.7","0.2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C68 H36 Cd2 F20 N8 O10 S4 -","- C68 H36 Cd2 F20 N8 O10 S4 -","- C272 H144 Cd8 F80 N32 O40 S16 -","4","1","","Song, Wei-Chao; Niu, Zi-Yi; Ding, Bo; Wang, Xiu-Guang; Yang, En-Cui","Photosalient Cd(II) complexes by visible-light-driven single-crystal-to-single-crystal [2+2] stereoselective cycloaddition.","Chemical communications (Cambridge, England)","2026","62","8","2589","2593","10.1039/d5cc05819h","","x-ray","1.54184","CuKα","","0.0659","0.047","","","0.1017","0.1101","","","","","","1.044","","","","has coordinates,has disorder","304687","2026-03-03","23:21:46",""
"7135491","13.7335","0.0011","20.0531","0.0016","12.0778","0.001","90","","90","","90","","3326.2","0.5","296","2","296.15","","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C34 H28 Cd N4 O5 S2 -","- C34 H28 Cd N4 O5 S2 -","- C136 H112 Cd4 N16 O20 S8 -","4","0.5","","Song, Wei-Chao; Niu, Zi-Yi; Ding, Bo; Wang, Xiu-Guang; Yang, En-Cui","Photosalient Cd(II) complexes by visible-light-driven single-crystal-to-single-crystal [2+2] stereoselective cycloaddition.","Chemical communications (Cambridge, England)","2026","62","8","2589","2593","10.1039/d5cc05819h","","","0.71073","MoKα","","0.0875","0.0622","","","0.1739","0.1979","","","","","","1.013","","","","has coordinates,has disorder","304687","2026-03-03","23:21:46",""
"7135492","20.89","0.002","4.033","0.0004","21.32","0.002","90","","115.964","0.002","90","","1614.9","0.3","296.15","","296.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H20 Cd F6 N4 O4 S2 -","- C34 H20 Cd F6 N4 O4 S2 -","- C68 H40 Cd2 F12 N8 O8 S4 -","2","0.5","","Song, Wei-Chao; Niu, Zi-Yi; Ding, Bo; Wang, Xiu-Guang; Yang, En-Cui","Photosalient Cd(II) complexes by visible-light-driven single-crystal-to-single-crystal [2+2] stereoselective cycloaddition.","Chemical communications (Cambridge, England)","2026","62","8","2589","2593","10.1039/d5cc05819h","","","0.71073","MoKα","","0.0355","0.0318","","","0.0775","0.0804","","","","","","1.067","","","","has coordinates,has disorder","304687","2026-03-03","23:21:46",""
"7135493","20.94","0.003","4.0627","0.0007","21.764","0.004","90","","117.167","0.003","90","","1647.3","0.5","296.15","","296.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H20 Cd F6 N4 O4 S2 -","- C34 H20 Cd F6 N4 O4 S2 -","- C68 H40 Cd2 F12 N8 O8 S4 -","2","0.5","","Song, Wei-Chao; Niu, Zi-Yi; Ding, Bo; Wang, Xiu-Guang; Yang, En-Cui","Photosalient Cd(II) complexes by visible-light-driven single-crystal-to-single-crystal [2+2] stereoselective cycloaddition.","Chemical communications (Cambridge, England)","2026","62","8","2589","2593","10.1039/d5cc05819h","","","0.71073","MoKα","","0.0623","0.0565","","","0.1404","0.1449","","","","","","1.118","","","","has coordinates,has disorder","304687","2026-03-03","23:21:47",""
"7135494","21.5147","0.0016","5.6766","0.0005","24.744","0.002","90","","90","","90","","3022","0.4","158","11","158","11","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C19 H15 N O3 -","- C19 H15 N O3 -","- C152 H120 N8 O24 -","8","2","","Meena, Shivam A.; Thakur, Deepika; Tripathi, Surya P.; Ranjan, Rahul; Verma, Akhilesh K.","Photocatalytic oxidative cyclopropanation of aza-1,6-enynes: construction of 3-aza-bicyclo[3.1.0]hexane derivatives.","Chemical communications (Cambridge, England)","2026","62","8","2641","2645","10.1039/d5cc04935k","","x-ray","0.71073","MoKα","","0.1073","0.0629","","","0.1334","0.1573","","","","","","1","","","","has coordinates","304688","2026-03-03","23:22:26",""
"7135495","9.51","0.0006","23.244","0.0013","7.6943","0.0006","90","","105.888","0.007","90","","1635.9","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H15 N O5 -","- C20 H15 N O5 -","- C80 H60 N4 O20 -","4","1","","Meena, Shivam A.; Thakur, Deepika; Tripathi, Surya P.; Ranjan, Rahul; Verma, Akhilesh K.","Photocatalytic oxidative cyclopropanation of aza-1,6-enynes: construction of 3-aza-bicyclo[3.1.0]hexane derivatives.","Chemical communications (Cambridge, England)","2026","62","8","2641","2645","10.1039/d5cc04935k","","x-ray","0.71073","MoKα","","0.0649","0.0453","","","0.1149","0.1263","","","","","","1.044","","","","has coordinates","304688","2026-03-03","23:22:27",""
"7135496","11.2247","0.0008","7.7018","0.0006","15.9626","0.0011","90","","97.502","0.007","90","","1368.16","0.17","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 Br N O3 -","- C14 H12 Br N O3 -","- C56 H48 Br4 N4 O12 -","4","1","","Meena, Shivam A.; Thakur, Deepika; Tripathi, Surya P.; Ranjan, Rahul; Verma, Akhilesh K.","Photocatalytic oxidative cyclopropanation of aza-1,6-enynes: construction of 3-aza-bicyclo[3.1.0]hexane derivatives.","Chemical communications (Cambridge, England)","2026","62","8","2641","2645","10.1039/d5cc04935k","","x-ray","0.71073","MoKα","","0.0876","0.0506","","","0.0865","0.0995","","","","","","1.057","","","","has coordinates","304688","2026-03-03","23:22:27",""
"7135497","29.481","0.005","6.8544","0.0003","15.489","0.003","90","","138.05","0.04","90","","2092.3","1.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H19 N O3 S -","- C25 H19 N O3 S -","- C100 H76 N4 O12 S4 -","4","1","","Meena, Shivam A.; Thakur, Deepika; Tripathi, Surya P.; Ranjan, Rahul; Verma, Akhilesh K.","Photocatalytic oxidative cyclopropanation of aza-1,6-enynes: construction of 3-aza-bicyclo[3.1.0]hexane derivatives.","Chemical communications (Cambridge, England)","2026","62","8","2641","2645","10.1039/d5cc04935k","","x-ray","0.71073","MoKα","","0.1557","0.1225","","","0.3044","0.3454","","","","","","1.297","","","","has coordinates","304688","2026-03-03","23:22:27",""
"7135498","5.1777","0.0002","19.0358","0.0012","24.8301","0.0014","90","","90","","90","","2447.3","0.2","100.01","0.11","100.01","0.11","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H12 N2 O -","- C17 H12 N2 O -","- C136 H96 N16 O8 -","8","1","","Zhang, Ziyi; Li, Xi; Feng, Yilin; Gao, Xin; Qi, Yong; Yan, Jiaying; Zhang, Nuonuo","A facile strategy for π-extended BOPYINs: transformation into six-membered BODIPY analogues and their optical properties.","Chemical communications (Cambridge, England)","2026","62","8","2659","2663","10.1039/d5cc06628j","","x-ray","1.54184","CuKα","","0.1114","0.1024","","","0.2277","0.2328","","","","","","1.319","","","","has coordinates","304690","2026-03-03","23:23:29",""
"7135499","8.72703","0.00019","7.5733","0.00014","21.4926","0.0004","90","","90.3969","0.0019","90","","1420.46","0.05","297.7","0.2","297.7","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C4.25 H2.5 B0.25 Cl0.25 F0.5 N0.5 -","- C4.25 H2.5 B0.25 Cl0.25 F0.5 N0.5 -","- C68 H40 B4 Cl4 F8 N8 -","16","4","","Zhang, Ziyi; Li, Xi; Feng, Yilin; Gao, Xin; Qi, Yong; Yan, Jiaying; Zhang, Nuonuo","A facile strategy for π-extended BOPYINs: transformation into six-membered BODIPY analogues and their optical properties.","Chemical communications (Cambridge, England)","2026","62","8","2659","2663","10.1039/d5cc06628j","","x-ray","1.54184","CuKα","","0.0368","0.0345","","","0.0945","0.0961","","","","","","1.081","","","","has coordinates","304690","2026-03-03","23:23:30",""
"7135500","9.6144","0.0002","8.748","0.0001","16.3991","0.0003","90","","105.208","0.002","90","","1330.97","0.04","170","0.1","170","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H11 B F2 N2 O -","- C17 H11 B F2 N2 O -","- C68 H44 B4 F8 N8 O4 -","4","1","","Zhang, Ziyi; Li, Xi; Feng, Yilin; Gao, Xin; Qi, Yong; Yan, Jiaying; Zhang, Nuonuo","A facile strategy for π-extended BOPYINs: transformation into six-membered BODIPY analogues and their optical properties.","Chemical communications (Cambridge, England)","2026","62","8","2659","2663","10.1039/d5cc06628j","","x-ray","1.54184","CuKα","","0.0334","0.0309","","","0.0815","0.0834","","","","","","1.037","","","","has coordinates","304690","2026-03-03","23:23:30",""
"7135501","10.1116","0.0002","11.6324","0.0002","30.3083","0.0005","94.567","0.001","97.121","0.002","90.226","0.002","3525.85","0.11","99.99","0.1","99.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C4.6 H3 B0.2 F0.4 N0.4 O0.2 -","- C23 H15 B F2 N2 O -","- C184 H120 B8 F16 N16 O8 -","8","4","","Zhang, Ziyi; Li, Xi; Feng, Yilin; Gao, Xin; Qi, Yong; Yan, Jiaying; Zhang, Nuonuo","A facile strategy for π-extended BOPYINs: transformation into six-membered BODIPY analogues and their optical properties.","Chemical communications (Cambridge, England)","2026","62","8","2659","2663","10.1039/d5cc06628j","","x-ray","1.54184","CuKα","","0.0917","0.0797","","","0.2608","0.2691","","","","","","1.15","","","","has coordinates","304690","2026-03-03","23:23:30",""
"7135502","9.5107","0.0018","14.457","0.002","11.245","0.0018","90","","111.41","0.02","90","","1439.4","0.5","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 N O2 S -","- C17 H13 N O2 S -","- C68 H52 N4 O8 S4 -","4","1","","Wang, Cheng; Zhang, Qiang; Qin, Sisi; Lai, Zhimin; Liang, Taoyuan; Huang, Guan; Zhao, Shuangliang; Zhang, Zhuan","Time-dependent Rh(III)-catalyzed chemodivergent reactions of 2-pyridylthiophenes with nitroalkenes.","Chemical communications (Cambridge, England)","2026","62","5","1614","1617","10.1039/d5cc06419h","","x-ray","0.71073","MoKα","","0.0827","0.0519","","","0.1149","0.1342","","","","","","1.033","","","","has coordinates","304691","2026-03-03","23:23:54",""
"7135503","9.8276","0.0005","11.1008","0.0007","15.5044","0.0008","103.401","0.005","106.506","0.005","98.916","0.005","1532.72","0.17","298","","298","","","","","","","","","6","P -1","-P 1","2","","844","","- C17 H13 F N2 O2 S -","- C17 H13 F N2 O2 S -","- C68 H52 F4 N8 O8 S4 -","4","2","","Wang, Cheng; Zhang, Qiang; Qin, Sisi; Lai, Zhimin; Liang, Taoyuan; Huang, Guan; Zhao, Shuangliang; Zhang, Zhuan","Time-dependent Rh(III)-catalyzed chemodivergent reactions of 2-pyridylthiophenes with nitroalkenes.","Chemical communications (Cambridge, England)","2026","62","5","1614","1617","10.1039/d5cc06419h","","x-ray","0.71073","MoKα","","0.0898","0.0573","","","0.1147","0.1306","","","","","","1.02","","","","has coordinates","304691","2026-03-03","23:23:54",""
"7135504","10.2722","0.0002","10.9298","0.0002","20.1804","0.0005","90","","90","","90","","2265.72","0.08","149.99","0.1","149.99","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H30 N2 O4 -","- C25 H30 N2 O4 -","- C100 H120 N8 O16 -","4","1","","Li, Shan-Shan; Wu, Xiao-Guang; Li, Zhen; Tian, Jin-Rui; Ma, Ai-Jun; Tu, Yong-Qiang","Biosynthesis inspired asymmetric total synthesis of camptothecin.","Chemical communications (Cambridge, England)","2026","62","4","1276","1279","10.1039/d5cc06451a","","x-ray","1.54184","CuKα","","0.0358","0.0318","","","0.081","0.0834","","","","","","1.043","","","","has coordinates","304692","2026-03-03","23:24:47",""
"7135505","12.0055","0.0001","18.7238","0.0002","40.9353","0.0005","90","","95.11","0.001","90","","9165.22","0.17","173","0.13","173","0.13","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H38 N2 O6 Si -","- C28 H38 N2 O6 Si -","- C336 H456 N24 O72 Si12 -","12","6","","Li, Shan-Shan; Wu, Xiao-Guang; Li, Zhen; Tian, Jin-Rui; Ma, Ai-Jun; Tu, Yong-Qiang","Biosynthesis inspired asymmetric total synthesis of camptothecin.","Chemical communications (Cambridge, England)","2026","62","4","1276","1279","10.1039/d5cc06451a","","x-ray","1.54184","CuKα","","0.0662","0.0608","","","0.1693","0.177","","","","","","0.818","","","","has coordinates","304692","2026-03-03","23:24:47",""
"7135506","23.1003","0.0006","14.9053","0.0003","27.912","0.0006","90","","92.428","0.002","90","","9601.9","0.4","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C101.4 H134.8 Cl2 N4 O40.7 Zr6 -","- C60 H51 Cl2 N3 O20 Zr6 -","- C240 H204 Cl8 N12 O80 Zr24 -","4","1","","Yang, Shungang; Wu, Zhengyang; Wang, Kang; Wei, Nan; Feng, Yanyan; Cui, Peng; Jiang, Yao","Enhancing iodine capture through a zirconium-based metal-organic cage featuring functionalized indole units.","Chemical communications (Cambridge, England)","2026","62","6","1927","1931","10.1039/d5cc05987a","","x-ray","0.71073","MoKα","","0.0815","0.0553","","","0.15","0.1687","","","","","","1.034","","","","has coordinates,has disorder","304693","2026-03-03","23:28:25",""
"7135507","20.5201","0.0005","8.6569","0.0002","22.7664","0.0006","90","","90.366","0.002","90","","4044.15","0.17","99.99","0.1","99.99","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H24 Cl N O6 -","- C21 H24 Cl N O6 -","- C168 H192 Cl8 N8 O48 -","8","1","","Mao, Zhuo-Ya; Yan, De-Xiang; Zhou, Su-Fan; Liu, Meng-En; Li, You-Zherui; Liang, Tai-Gang; Wei, Bang-Guo","Chloride-incorporating cascade dearomatization of isoquinolines with chloroformate and DMAD achieving 100% atom economy.","Chemical communications (Cambridge, England)","2026","62","6","1860","1863","10.1039/d5cc06083d","","x-ray","0.71073","MoKα","","0.0456","0.0368","","","0.0873","0.0917","","","","","","1.06","","","","has coordinates","304694","2026-03-03","23:28:41",""
"7135508","14.7393","0.0005","8.7872","0.0003","22.5044","0.0008","90","","89.995","0.001","90","","2914.71","0.17","296.15","","296.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","XM-1","","- C70 H60 Br2 N6 -","- C70 H60 Br2 N6 -","- C140 H120 Br4 N12 -","2","1","","Xiang, Mei; Huang, Cong; Gao, Jie; Chen, Kai; Xie, Zhen-Zhen; Yang, Hua","EnT-catalysis-enabled, radical-relay cascade cyclization to access multisubstituted cyclohexane/cyclohexene.","Chemical communications (Cambridge, England)","2026","62","6","1941","1944","10.1039/d5cc06259d","","","0.71076","MoKα","","0.0966","0.0406","","","0.0688","0.0818","","","","","","0.996","","","","has coordinates","304695","2026-03-03","23:28:58",""
"7135509","11.1879","0.0006","12.0483","0.0006","16.967","0.0008","109.2","0.001","98.081","0.001","104.655","0.001","2025.94","0.18","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","XM-2","","- C39 H37 N O4 S2 -","- C39 H37 N O4 S2 -","- C78 H74 N2 O8 S4 -","2","1","","Xiang, Mei; Huang, Cong; Gao, Jie; Chen, Kai; Xie, Zhen-Zhen; Yang, Hua","EnT-catalysis-enabled, radical-relay cascade cyclization to access multisubstituted cyclohexane/cyclohexene.","Chemical communications (Cambridge, England)","2026","62","6","1941","1944","10.1039/d5cc06259d","","","0.71076","MoKα","","0.0902","0.0573","","","0.1319","0.1472","","","","","","1.048","","","","has coordinates","304695","2026-03-03","23:28:59",""
"7135510","10.2785","0.0005","14.3225","0.0006","9.823","0.0005","90","","105.808","0.005","90","","1391.39","0.12","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H10 Br F O2 -","- C17 H10 Br F O2 -","- C68 H40 Br4 F4 O8 -","4","1","","Sharma, Manvi; Thakur, Deepika; Meena, Shivam A.; Nandy, Abhijit; Banerjee, Shibdas; Verma, Akhilesh K.","Unlocking reactivity potential of <i>gem</i>-dihaloolefins: access to Halo-functionalized 1,4-naphthoquinones <i>via</i> intramolecular radical oxidative cyclization.","Chemical communications (Cambridge, England)","2026","62","6","1954","1958","10.1039/d5cc06222e","","x-ray","0.71073","MoKα","","0.0489","0.0342","","","0.0736","0.0782","","","","","","1.034","","","","has coordinates","304696","2026-03-03","23:29:13",""
"7135511","15.677","0.002","17.2637","0.0019","19","0.002","82.268","0.004","78.144","0.004","89.95","0.004","4984.9","1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H71 B9 Co4 Fe O -","- C41 H71 B9 Co4 Fe O -","- C164 H284 B36 Co16 Fe4 O4 -","4","2","","Giri, Soumen; Bairagi, Subhash; Shyamal, Sampad; Ghosh, Sundargopal","Expanding icosahedral frameworks: structure and bonding of bicapped icosahedral cluster [(Cp*Co)<sub>4</sub>Fe(CO)B<sub>9</sub>H<sub>11</sub>].","Chemical communications (Cambridge, England)","2026","62","6","1981","1985","10.1039/d5cc06191a","","","0.71073","MoKα","","0.1943","0.1024","","","0.2372","0.2978","","","","","","1.034","","","","has coordinates","304697","2026-03-03","23:29:35",""
"7135512","8.3355","0.0013","18.415","0.003","11.3221","0.0018","90","","108.9","0.005","90","","1644.2","0.5","302","2","302","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C30 H54 B7 Co3 -","- C30 H54 B7 Co3 -","- C60 H108 B14 Co6 -","2","0.5","","Giri, Soumen; Bairagi, Subhash; Shyamal, Sampad; Ghosh, Sundargopal","Expanding icosahedral frameworks: structure and bonding of bicapped icosahedral cluster [(Cp*Co)<sub>4</sub>Fe(CO)B<sub>9</sub>H<sub>11</sub>].","Chemical communications (Cambridge, England)","2026","62","6","1981","1985","10.1039/d5cc06191a","","","0.71073","MoKα","","0.087","0.0639","","","0.1461","0.16","","","","","","1.096","","","","has coordinates","304697","2026-03-03","23:29:35",""
"7135513","6.5856","0.0007","20.0958","0.0019","6.9138","0.0007","90","","96.051","0.003","90","","909.89","0.16","295","2","295","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H6 N4 O4 -","- C8 H6 N4 O4 -","- C32 H24 N16 O16 -","4","1","","Shanmugapriya, V.; Panda, Pradeepta K.","A bipyrrole scaffold as an emerging Frontier in robust design of high energy materials.","Chemical communications (Cambridge, England)","2026","62","6","1936","1940","10.1039/d5cc06662j","","","0.71073","MoKα","","0.1108","0.0992","","","0.3013","0.3079","","","","","","1.139","","","","has coordinates","304698","2026-03-03","23:30:17",""
"7135514","10.309","0.004","11.351","0.005","12.68","0.005","89.771","0.013","89.807","0.013","89.955","0.014","1483.8","1","273.15","","273.15","","","","","","","","","4","P 1","P 1","1","","","","- C40 H28 N28 O40 -","- C40 H28 N28 O40 -","- C40 H28 N28 O40 -","1","1","","Shanmugapriya, V.; Panda, Pradeepta K.","A bipyrrole scaffold as an emerging Frontier in robust design of high energy materials.","Chemical communications (Cambridge, England)","2026","62","6","1936","1940","10.1039/d5cc06662j","","","0.71073","MoKα","","0.1884","0.0855","","","0.1869","0.231","","","","","","0.949","","","","has coordinates","304698","2026-03-03","23:30:17",""
"7135515","8.5497","0.0018","13.502","0.003","12.107","0.003","90","","97.392","0.007","90","","1386","0.5","295","","295","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","EXT103A","","- C10 H8 N6 O8 -","- C10 H8 N6 O8 -","- C40 H32 N24 O32 -","4","1","","Shanmugapriya, V.; Panda, Pradeepta K.","A bipyrrole scaffold as an emerging Frontier in robust design of high energy materials.","Chemical communications (Cambridge, England)","2026","62","6","1936","1940","10.1039/d5cc06662j","","","0.71073","MoKα","","0.1203","0.098","","","0.26","0.2791","","","","","","1.126","","","","has coordinates","304698","2026-03-03","23:30:18",""
"7135516","20.286","0.007","8.192","0.003","13.64","0.005","90","","100.804","0.014","90","","2226.6","1.4","296","2","296","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C10 H10 N4 O4 -","- C10 H10 N4 O4 -","- C80 H80 N32 O32 -","8","1","","Shanmugapriya, V.; Panda, Pradeepta K.","A bipyrrole scaffold as an emerging Frontier in robust design of high energy materials.","Chemical communications (Cambridge, England)","2026","62","6","1936","1940","10.1039/d5cc06662j","","","0.71073","MoKα","","0.072","0.0553","","","0.1551","0.1649","","","","","","1.056","","","","has coordinates","304698","2026-03-03","23:30:18",""
"7135517","12.1882","0.0013","9.3309","0.0009","14.4003","0.0014","90","","99.528","0.004","90","","1615.1","0.3","273.15","","273.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H6 N8 O12 -","- C10 H6 N8 O12 -","- C40 H24 N32 O48 -","4","1","","Shanmugapriya, V.; Panda, Pradeepta K.","A bipyrrole scaffold as an emerging Frontier in robust design of high energy materials.","Chemical communications (Cambridge, England)","2026","62","6","1936","1940","10.1039/d5cc06662j","","","0.71073","MoKα","","0.0615","0.0588","","","0.1453","0.1474","","","","","","1.164","","","","has coordinates","304698","2026-03-03","23:30:18",""
"7135518","17.72878","0.00019","6.21523","0.00007","25.4446","0.0002","90","","97.0692","0.0009","90","","2782.39","0.05","150","0.1","150","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C35 H39 P -","- C35 H39 P -","- C140 H156 P4 -","4","1","","Deka, Rajesh; Bhowmick, Toma; Orthaber, Andreas","Expect the unexpected - Li<sup>+</sup> migration governing the substitution of 7<i>H</i>-benzo[<i>de</i>]anthracene with main-group fragments.","Chemical communications (Cambridge, England)","2026","62","6","1900","1904","10.1039/d5cc05878c","","x-ray","1.54184","CuKα","","0.0487","0.0401","","","0.0994","0.1047","","","","","","1.048","","","","has coordinates","304699","2026-03-03","23:30:41",""
"7135519","18.8945","0.0003","5.60435","0.00009","19.3173","0.0004","90","","94.74","0.0018","90","","2038.54","0.06","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H21 O P -","- C29 H21 O P -","- C116 H84 O4 P4 -","4","1","","Deka, Rajesh; Bhowmick, Toma; Orthaber, Andreas","Expect the unexpected - Li<sup>+</sup> migration governing the substitution of 7<i>H</i>-benzo[<i>de</i>]anthracene with main-group fragments.","Chemical communications (Cambridge, England)","2026","62","6","1900","1904","10.1039/d5cc05878c","","x-ray","1.54184","CuKα","","0.0474","0.0444","","","0.1194","0.1217","","","","","","1.04","","","","has coordinates,has disorder","304699","2026-03-03","23:30:41",""
"7135520","25.191","0.005","43.168","0.009","24.625","0.005","90","","109.29","0.03","90","","25275","10","100","","100","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C312 H304 Cl24 Co16 N8 O100 S16 -","- C224 H200 Co16 O92 S16 -","- C448 H400 Co32 O184 S32 -","2","1","","Shutilov, Ilia D.; Volodin, Pavel A.; Ovsyannikov, Alexander S.; Zinoviev, Ilya M.; Guskov, Vladimir Yu; Islamov, Daut R.; Mukhametzyanov, Timur A.; Lin, Meijin; Dorovatovskii, Pavel V.; Peters, Georgy S.; Kulikova, Elizaveta S.; Burilov, Vladimir A.; Solovieva, Svetlana E.; Antipin, Igor S.","Edge-centred chirality-induced enantiopure square-like sulfonylcalix[4]arene-{Co<sup>II</sup><sub>16</sub>} cages for selective (+)-/(-)-α-pinene adsorption.","Chemical communications (Cambridge, England)","2026","62","6","1986","1990","10.1039/d5cc05936d","","","0.7527","synchrotron","","0.1399","0.0861","","","0.2252","0.2913","","","","","","0.994","","","","has coordinates","304700","2026-03-03","23:31:04",""
"7135521","37.342","0.003","6.4577","0.0006","15.8102","0.0009","90","","95.294","0.006","90","","3796.3","0.5","200","2","200","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H23 N O5 -","- C21 H23 N O5 -","- C168 H184 N8 O40 -","8","1","","Alharthi, Asma A.; Kariuki, Benson M.; Morrill, Louis C.; Browne, Duncan L.","Mechanochemical one-pot Barbier/Simmons-Smith reaction <i>via</i> sequential zinc activation.","Chemical communications (Cambridge, England)","2026","62","6","1864","1868","10.1039/d5cc05732a","","","1.54184","CuKα","","0.1524","0.0817","","","0.2045","0.2358","","","","","","1.047","","","","has coordinates,has disorder","304701","2026-03-03","23:31:21",""
"7135522","6.466","0.011","12.77","0.02","19.58","0.03","90","","90","","90","","1617","4","296.15","","296.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Rc1205","","- C21 H18 N2 -","- C21 H18 N2 -","- C84 H72 N8 -","4","1","","Chouhan, Raju; Kumar Das, Sajal","Synthesis of indoline-2,3-fused tetrahydroquinolines bearing two free N-H groups using a protecting-group-free approach.","Chemical communications (Cambridge, England)","2026","62","7","2322","2325","10.1039/d5cc06157a","","","0.71073","MoKα","","0.2388","0.0831","","","0.1625","0.2361","","","","","","0.935","","","","has coordinates","304702","2026-03-03","23:33:06",""
"7135523","8.6589","0.0005","10.4497","0.0004","12.2569","0.0008","113.997","0.005","91.188","0.005","98.88","0.004","996.74","0.1","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H50 I2 N4 Zn2 -","- C42 H50 I2 N4 Zn2 -","- C42 H50 I2 N4 Zn2 -","1","0.5","","Pitz, Benjamin; Danés, Sergi; Morgenstern, Bernd; Schäfer, André","Accessing zinc(I) <i>via</i> reductive elimination of cyclopentadienes.","Chemical communications (Cambridge, England)","2026","62","7","2204","2207","10.1039/d5cc06448a","","","0.71073","MoKα","","0.0429","0.0319","","","0.0731","0.0783","","","","","","1.049","","","","has coordinates","304703","2026-03-03","23:33:44",""
"7135524","12.9672","0.0004","8.7179","0.0003","17.1328","0.0005","90","","105.754","0.003","90","","1864.05","0.11","130","2","130","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C42 H52 N4 Zn2 -","- C42 H52 N4 Zn2 -","- C84 H104 N8 Zn4 -","2","0.5","","Pitz, Benjamin; Danés, Sergi; Morgenstern, Bernd; Schäfer, André","Accessing zinc(I) <i>via</i> reductive elimination of cyclopentadienes.","Chemical communications (Cambridge, England)","2026","62","7","2204","2207","10.1039/d5cc06448a","","","0.71073","MoKα","","0.0291","0.0245","","","0.0615","0.0636","","","","","","1.05","","","","has coordinates","304703","2026-03-03","23:33:44",""
"7135525","10.9819","0.0002","17.5081","0.0003","18.8427","0.0004","90","","95.554","0.002","90","","3605.92","0.12","133","2","133","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C42 H50 N4 Zn -","- C42 H50 N4 Zn -","- C168 H200 N16 Zn4 -","4","1","","Pitz, Benjamin; Danés, Sergi; Morgenstern, Bernd; Schäfer, André","Accessing zinc(I) <i>via</i> reductive elimination of cyclopentadienes.","Chemical communications (Cambridge, England)","2026","62","7","2204","2207","10.1039/d5cc06448a","","","0.71073","MoKα","","0.0477","0.0364","","","0.0921","0.0976","","","","","","1.049","","","","has coordinates","304703","2026-03-03","23:33:44",""
"7135526","11.1288","0.0004","11.8347","0.0004","13.5265","0.0005","83.517","0.001","79.388","0.001","74.63","0.001","1684.56","0.1","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H51 N3 Si Zn -","- C36 H51 N3 Si Zn -","- C72 H102 N6 Si2 Zn2 -","2","1","","Pitz, Benjamin; Danés, Sergi; Morgenstern, Bernd; Schäfer, André","Accessing zinc(I) <i>via</i> reductive elimination of cyclopentadienes.","Chemical communications (Cambridge, England)","2026","62","7","2204","2207","10.1039/d5cc06448a","","","0.71073","MoKα","","0.0326","0.0293","","","0.0753","0.0772","","","","","","1.074","","","","has coordinates,has disorder","304703","2026-03-03","23:33:45",""
"7135527","16.592","0.0003","20.0498","0.0004","10.2782","0.0002","90","","90","","90","","3419.21","0.11","130","2","130","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C38 H54 N2 O Zn -","- C38 H54 N2 O Zn -","- C152 H216 N8 O4 Zn4 -","4","0.5","","Pitz, Benjamin; Danés, Sergi; Morgenstern, Bernd; Schäfer, André","Accessing zinc(I) <i>via</i> reductive elimination of cyclopentadienes.","Chemical communications (Cambridge, England)","2026","62","7","2204","2207","10.1039/d5cc06448a","","","0.71073","MoKα","","0.0311","0.0274","","","0.0741","0.0762","","","","","","1.047","","","","has coordinates,has disorder","304703","2026-03-03","23:33:45",""
"7135528","10.6973","0.001","11.7395","0.0011","14.1251","0.0014","107.827","0.003","91.855","0.004","100.722","0.003","1651.6","0.3","133","2","133","2","","","","","","","","3","P -1","-P 1","2","","","","- C34 H58 Zn2 -","- C34 H58 Zn2 -","- C68 H116 Zn4 -","2","1","","Pitz, Benjamin; Danés, Sergi; Morgenstern, Bernd; Schäfer, André","Accessing zinc(I) <i>via</i> reductive elimination of cyclopentadienes.","Chemical communications (Cambridge, England)","2026","62","7","2204","2207","10.1039/d5cc06448a","","","0.71073","MoKα","","0.0492","0.0357","","","0.0703","0.0766","","","","","","1.047","","","","has coordinates,has disorder","304703","2026-03-03","23:33:45",""
"7135529","14.0675","0.0006","16.7852","0.0007","21.3193","0.0009","89.436","0.002","73.799","0.002","87.024","0.002","4827.6","0.4","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C112 H105 N8 O8 S8 -","- C112 H105 N8 O8 S8 -","- C224 H210 N16 O16 S16 -","2","1","","Wang, Jie; Xu, Xue-Cen; Gong, Yue; Meng, Yu-Xuan; Zhao, Yu-Long","Visible-light-induced generation of alkenyl radicals from alkenyl sulfonium salts: direct synthesis of 11-alkenyl-substituted dibenzodiazepines.","Chemical communications (Cambridge, England)","2026","62","7","2330","2334","10.1039/d5cc06510k","","","1.54178","CuKα","","0.099","0.0645","","","0.136","0.1504","","","","","","1.055","","","","has coordinates","304704","2026-03-03","23:34:11",""
"7135530","18.4324","0.0011","10.1495","0.0006","17.5125","0.0011","90","","96.661","0.002","90","","3254.1","0.3","193","","193","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H25 B Cl3 F5 N2 S -","- C34 H25 B Cl3 F5 N2 S -","- C136 H100 B4 Cl12 F20 N8 S4 -","4","1","","Zhai, Ziyu; Cai, Fangjian; Li, Pengfei; Qu, Chulin; Shen, Zhen","Engineering asymmetric D-π-A BODIPYs as high-performance photosensitizers for photodynamic therapy.","Chemical communications (Cambridge, England)","2026","62","7","2230","2233","10.1039/d5cc04867b","","","1.34139","GaKα","","0.151","0.0882","","","0.2422","0.2885","","","","","","1.067","","","","has coordinates,has disorder","304705","2026-03-03","23:34:29",""
"7135531","9.4467","0.0004","13.6728","0.0005","13.7889","0.0005","104.414","0.001","91.701","0.001","102.953","0.001","1674.15","0.11","193","2","193","","","","","","","","","8","P -1","-P 1","2","","","","- C34 H24 B Cl3 F5 I N2 S -","- C34 H24 B Cl3 F5 I N2 S -","- C68 H48 B2 Cl6 F10 I2 N4 S2 -","2","1","","Zhai, Ziyu; Cai, Fangjian; Li, Pengfei; Qu, Chulin; Shen, Zhen","Engineering asymmetric D-π-A BODIPYs as high-performance photosensitizers for photodynamic therapy.","Chemical communications (Cambridge, England)","2026","62","7","2230","2233","10.1039/d5cc04867b","","","1.34139","GaKα","","0.0526","0.0447","","","0.1211","0.1296","","","","","","1.035","","","","has coordinates,has disorder","304705","2026-03-03","23:34:29",""
"7135532","10.4934","0.0003","17.6933","0.0005","16.8167","0.0005","90","","99.353","0.003","90","","3080.73","0.16","142","60","142","60","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H37 N O4 S -","- C35 H37 N O4 S -","- C140 H148 N4 O16 S4 -","4","1","","Tiwari, Shashikant; Sharma, Ritika; Rawat, Diwan S.","Experimental and spectroscopic evidence of the hidden triplet transition state of quinone methide: a new reactivity paradigm.","Chemical communications (Cambridge, England)","2026","62","7","2343","2347","10.1039/d5cc06672g","","x-ray","0.71073","MoKα","","0.0669","0.0531","","","0.147","0.1543","","","","","","1.157","","","","has coordinates","304706","2026-03-03","23:34:58",""
"7135533","9.2331","0.0003","14.1143","0.0004","20.5532","0.0008","90","","97.619","0.003","90","","2654.82","0.16","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H35 N O4 -","- C31 H35 N O4 -","- C124 H140 N4 O16 -","4","1","","Tiwari, Shashikant; Sharma, Ritika; Rawat, Diwan S.","Experimental and spectroscopic evidence of the hidden triplet transition state of quinone methide: a new reactivity paradigm.","Chemical communications (Cambridge, England)","2026","62","7","2343","2347","10.1039/d5cc06672g","","x-ray","0.71073","MoKα","","0.0657","0.0477","","","0.1273","0.1396","","","","","","1.046","","","","has coordinates","304706","2026-03-03","23:34:58",""
"7135534","14.7585","0.0006","10.9981","0.0004","11.9327","0.0006","90","","112.781","0.005","90","","1785.77","0.15","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24.75 Cl N O -","- C20 H24.75 Cl N O -","- C80 H99 Cl4 N4 O4 -","4","1","","Tiwari, Shashikant; Sharma, Ritika; Rawat, Diwan S.","Experimental and spectroscopic evidence of the hidden triplet transition state of quinone methide: a new reactivity paradigm.","Chemical communications (Cambridge, England)","2026","62","7","2343","2347","10.1039/d5cc06672g","","x-ray","0.71073","MoKα","","0.0397","0.0354","","","0.0921","0.095","","","","","","1.088","","","","has coordinates","304706","2026-03-03","23:34:58",""
"7135535","8.016","0.003","12.509","0.003","14.522","0.004","80.973","0.015","83.02","0.02","87.953","0.016","1427.3","0.8","239","2","239","","","","","","","","","5","P -1","-P 1","2","","","","- C31.99 H32.06 Br N S -","- C31.99 H31.97 Br N S -","- C63.98 H63.94 Br2 N2 S2 -","2","1","","Martínez-Núñez, Clara; Arribas-Torrecilla, Carlos; Sanz, Roberto; Suárez-Pantiga, Samuel","Controlled gold-catalyzed 5-<i>exo-dig</i> cyclization of 3-sulfur-substituted 1,3-dien-5-ynes for synthesizing fulvenes and the <i>in situ</i> reaction with indoles.","Chemical communications (Cambridge, England)","2026","62","7","2287","2291","10.1039/d5cc06478c","","","1.54184","CuKα","","0.0584","0.0469","","","0.1153","0.13","","","","","","1.021","","","","has coordinates,has disorder","304707","2026-03-03","23:35:23",""
"7135536","10.8475","0.001","18.7319","0.0017","13.0573","0.0013","90","","110.439","0.004","90","","2486.1","0.4","230","2","230","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H31 N O -","- C31 H31 N O -","- C124 H124 N4 O4 -","4","1","","Martínez-Núñez, Clara; Arribas-Torrecilla, Carlos; Sanz, Roberto; Suárez-Pantiga, Samuel","Controlled gold-catalyzed 5-<i>exo-dig</i> cyclization of 3-sulfur-substituted 1,3-dien-5-ynes for synthesizing fulvenes and the <i>in situ</i> reaction with indoles.","Chemical communications (Cambridge, England)","2026","62","7","2287","2291","10.1039/d5cc06478c","","","1.54178","CuKα","","0.0855","0.0722","","","0.1818","0.1971","","","","","","1.053","","","","has coordinates,has disorder","304707","2026-03-03","23:35:24",""
"7135537","14.44","0.11","7.72","0.06","26.4","0.2","90","","90","","90","","2943","4","296.15","","296.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H16 F N -","- C19 H16 F N -","- C152 H128 F8 N8 -","8","1","","Deka, Upasana; Gogoi, Abhijit; Das, Sajal Kumar","Reactivity divergence in the cyclization of terminal epoxides all-carbon-tethered to indoles.","Chemical communications (Cambridge, England)","2026","62","7","2222","2225","10.1039/d5cc06074e","","","0.71073","MoKα","","0.2662","0.0901","","","0.1597","0.2323","","","","","","0.979","","","","has coordinates","304708","2026-03-03","23:35:44",""
"7135538","13.7434","0.0002","35.5425","0.0004","17.7905","0.0003","90","","106.626","0.002","90","","8326.9","0.2","149.98","0.1","149.98","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C106 H100 O8 -","- C106 H100 O8 -","- C424 H400 O32 -","4","1","","Li, Zhenyu; Jiang, Jingxiong; Jia, Xiaoxi; Wang, Ke; Shi, Wenjing; Qu, Wen-Juan; Lin, Qi; Wei, Tai-Bao; Shi, Bingbing","Highly selective separation of toluene/methylcyclohexane using clamparene-based 3D porous crystals.","Chemical communications (Cambridge, England)","2026","62","7","2326","2329","10.1039/d5cc05954b","","x-ray","1.54184","CuKα","","0.1074","0.0917","","","0.2784","0.2989","","","","","","1.203","","","","has coordinates","304709","2026-03-03","23:36:01",""
"7135539","21.4243","0.0004","13.8932","0.0002","11.1722","0.0002","90","","98.625","0.002","90","","3287.82","0.1","297.32","0.1","297.32","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H17 N O3 P -","- C17 H18 N O3 P -","- C136 H144 N8 O24 P8 -","8","1","","Du, Jiahui; Ruan, Chengkai; Cui, Guifa; Zhao, Hongping; He, Chengyu","Cu-catalyzed tandem cross-coupling/cyclization of aryl diazophosphonates with phenylacetylene derivatives.","Chemical communications (Cambridge, England)","2026","62","7","2268","2271","10.1039/d5cc04967a","","x-ray","1.54184","CuKα","","0.042","0.0368","","","0.1071","0.1111","","","","","","1.084","","","","has coordinates","304710","2026-03-03","23:36:19",""
"7135540","7.5367","0.0004","10.6159","0.0005","19.4914","0.0009","100.908","0.001","99.555","0.001","102.92","0.001","1456.76","0.12","299","2","299","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H12 Cl N O2 S -","- C16 H12 Cl N O2 S -","- C64 H48 Cl4 N4 O8 S4 -","4","2","","Barik, Dinabandhu; Panigrahi, Pritishree; Manna, Supriya; Chakraborty, Nikita; Phouzder, Anushka; Patel, Bhisma K.","DABCO-directed EDA-complex mediated regioselective C4-sulfonylation of quinoline <i>N</i>-oxide.","Chemical communications (Cambridge, England)","2026","62","9","3037","3040","10.1039/d5cc06699a","","","0.71073","MoKα","","0.0987","0.0626","","","0.1648","0.1925","","","","","","1.181","","","","has coordinates","304711","2026-03-03","23:36:43",""
"7135541","26.51","0.01","8.002","0.003","18.352","0.008","90","","126.765","0.017","90","","3119","2","298","2","298","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H15 N O3 S -","- C17 H15 N O3 S -","- C136 H120 N8 O24 S8 -","8","1","","Barik, Dinabandhu; Panigrahi, Pritishree; Manna, Supriya; Chakraborty, Nikita; Phouzder, Anushka; Patel, Bhisma K.","DABCO-directed EDA-complex mediated regioselective C4-sulfonylation of quinoline <i>N</i>-oxide.","Chemical communications (Cambridge, England)","2026","62","9","3037","3040","10.1039/d5cc06699a","","","0.71073","MoKα","","0.0394","0.0342","","","0.0879","0.0952","","","","","","1.051","","","","has coordinates","304711","2026-03-03","23:36:43",""
"7135542","12.1491","0.0003","12.2447","0.0003","14.3618","0.0004","90","","100.839","0.002","90","","2098.38","0.09","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","JWN-II-141","","- C38 H56 Br N5 O10 S -","- C38 H56 Br N5 O10 S -","- C76 H112 Br2 N10 O20 S2 -","2","1","","Nadraws, Jonathan W.; Pokle, Maithili S.; Smith, 3rd, Amos B","A 2nd-generation scalable synthesis of the HIV-1 entry inhibitor CJF-III-288 enabled by photoredox catalysis.","Chemical communications (Cambridge, England)","2026","62","9","2981","2985","10.1039/d5cc06802a","","x-ray","0.71073","MoKα","","0.0389","0.0332","","","0.0719","0.0736","","","","","","1.053","","","","has coordinates,has disorder","304712","2026-03-03","23:37:08",""
"7135543","5.921","0.0004","13.6349","0.0008","22.0309","0.0015","90","","96.426","0.003","90","","1767.4","0.2","120","","120","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H17 N3 -","- C26 H17 N3 -","- C104 H68 N12 -","4","1","","Dzieszkowski, Krzysztof; Kruczała, Krzysztof; Kijewska, Monika; Pawlicki, Miłosz","Constraint driven modulation of <i>N</i>,<i>N</i>-diarylamine(s) under space limitations imprinted in 7.6.6 defect.","Chemical communications (Cambridge, England)","2026","62","9","2976","2980","10.1039/d5cc06526g","","","0.71073","MoKα","","0.0588","0.0439","","","0.0971","0.1057","","","","","","1.028","","","","has coordinates","304713","2026-03-03","23:37:29",""
"7135544","12.3366","0.0004","19.8244","0.0006","7.4816","0.0002","90","","90","","90","","1829.74","0.09","100","","100","","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C26 H19 N3 -","- C26 H19 N3 -","- C104 H76 N12 -","4","1","","Dzieszkowski, Krzysztof; Kruczała, Krzysztof; Kijewska, Monika; Pawlicki, Miłosz","Constraint driven modulation of <i>N</i>,<i>N</i>-diarylamine(s) under space limitations imprinted in 7.6.6 defect.","Chemical communications (Cambridge, England)","2026","62","9","2976","2980","10.1039/d5cc06526g","","","0.71073","MoKα","","0.0368","0.0307","","","0.067","0.0691","","","","","","1.047","","","","has coordinates","304713","2026-03-03","23:37:29",""
"7135545","25.2393","0.0018","15.1444","0.0011","19.8378","0.0014","90","","94.756","0.002","90","","7556.6","0.9","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","Lu@C2v(9)-C82 Ni(OEP)","","","- C130 H56 Lu N4 Ni -","- C130 H56 Lu0.9999 N4 Ni -","- C520 H224 Lu3.9996 N16 Ni4 -","4","0.5","","Zhang, Rui; Yu, Pengwei; Li, Mengyang; Tan, Xiaoxue; Hu, Zhicong; Shen, Wangqiang; Bao, Lipiao; Lu, Xing","Crystallographic determination of Lu@<i>C</i><sub>2v</sub>(9)-C<sub>82</sub>: electronic configuration and encapsulation energy-driven formation preference.","Chemical communications (Cambridge, England)","2026","62","9","2991","2994","10.1039/d5cc07103h","","","0.6125","synchrotron","","0.0921","0.0862","","","0.2396","0.2459","","","","","","1.059","","","","has coordinates,has disorder","304714","2026-03-03","23:38:00",""
"7135546","18.2014","0.0016","25.589","0.0019","20.2737","0.0017","90","","90.1","0.004","90","","9442.6","1.3","150","","150","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C55 H132 Cu Ge9 K N2 O6 Si12 -","- C55 H132 Cu Ge9 K N2 O6 Si12 -","- C220 H528 Cu4 Ge36 K4 N8 O24 Si48 -","4","1","","Chen, Tianzi; Wang, Xinyue; Han, Yulin; Guo, Chenxi; Duan, Dongyu; Tang, Yu; Pan, Fuxing","Stepwise coordination of {Cu(C<sub>5</sub>Me<sub>5</sub>)} with a tri-silylated Ge<sub>9</sub> cluster.","Chemical communications (Cambridge, England)","2026","62","11","3541","3544","10.1039/d5cc06017f","","","0.71073","MoKα","","0.0271","0.0242","","","0.0617","0.0632","","","","","","1.039","","","","has coordinates,has disorder","304715","2026-03-03","23:39:25",""
"7135547","23.6847","0.0004","23.6847","0.0004","23.4153","0.0006","90","","90","","120","","11375.4","0.4","150.15","","150.15","","","","","","","","","7","R -3 :H","-R 3","148","","","","- C78 H210 Cu Ge18 K O6 Si24 -","- C78 H210 Cu Ge18 K O6 Si24 -","- C234 H630 Cu3 Ge54 K3 O18 Si72 -","3","0.166667","","Chen, Tianzi; Wang, Xinyue; Han, Yulin; Guo, Chenxi; Duan, Dongyu; Tang, Yu; Pan, Fuxing","Stepwise coordination of {Cu(C<sub>5</sub>Me<sub>5</sub>)} with a tri-silylated Ge<sub>9</sub> cluster.","Chemical communications (Cambridge, England)","2026","62","11","3541","3544","10.1039/d5cc06017f","","","0.71073","MoKα","","0.0494","0.0399","","","0.0912","0.0952","","","","","","1.039","","","","has coordinates,has disorder","304715","2026-03-03","23:39:25",""
"7135548","16.4552","0.0014","24.525","0.002","28.508","0.002","90","","98.022","0.003","90","","11392.2","1.6","150","","150","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C66.25 H149.5 Cu2 Ge9 K N2 O6.31 Si12 -","- C65 H147 Cu2 Ge9 K N2 O6 Si12 -","- C260 H588 Cu8 Ge36 K4 N8 O24 Si48 -","4","1","","Chen, Tianzi; Wang, Xinyue; Han, Yulin; Guo, Chenxi; Duan, Dongyu; Tang, Yu; Pan, Fuxing","Stepwise coordination of {Cu(C<sub>5</sub>Me<sub>5</sub>)} with a tri-silylated Ge<sub>9</sub> cluster.","Chemical communications (Cambridge, England)","2026","62","11","3541","3544","10.1039/d5cc06017f","","","0.71073","MoKα","","0.0514","0.0423","","","0.1158","0.1198","","","","","","1.098","","","","has coordinates","304715","2026-03-03","23:39:26",""
"7135549","9.8639","0.0005","9.8639","","56.3934","0.0019","90","","90","","120","","4751.8","0.3","293","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- La84 O216 Os36 -","- La7 O18 Os3 -","- La84 O216 Os36 -","12","0.333333","","Brennan, Ashley T.; Pelly, Maximilian T.; Gibbs, Alexandra S.; Rost, Andreas W.","Unconventional magnetism and residual entropy in La<sub>7</sub>Os<sub>3</sub>O<sub>18</sub>.","Chemical communications (Cambridge, England)","2026","62","11","3508","3511","10.1039/d5cc06230f","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","304716","2026-03-03","23:39:45",""
"7135550","10.1233","0.0005","26.4151","0.0011","8.7332","0.0004","90","","103.709","0.001","90","","2268.8","0.18","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","SK-N4-158-B","","- C23 H21 Br2 N O6 -","- C23 H21 Br2 N O6 -","- C92 H84 Br8 N4 O24 -","4","1","","Kar, Subhradeep; Maharana, Prabhat Kumar; Punniyamurthy, Tharmalingam","Cobalt-catalysed (4+3)-annulation of oxiranes with 4-vinyl indoles: stereospecific access to fused oxepinoindoles.","Chemical communications (Cambridge, England)","2026","62","11","3550","3554","10.1039/d5cc06979c","","","0.71073","MoKα","","0.0496","0.0373","","","0.1105","0.1242","","","","","","1.093","","","","has coordinates","304717","2026-03-03","23:39:58",""
"7135551","8.3684","0.0004","8.5801","0.0004","8.9751","0.0004","89.554","0.002","83.754","0.002","84.365","0.002","637.5","0.05","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H13 N O3 -","- C16 H13 N O3 -","- C32 H26 N2 O6 -","2","1","","Zhao, Taotao; Liang, Qianyi; Gu, Keying; Huang, Jiangbin; Zhuang, Xiong; Hu, Jinhui; Wu, Jia-Qiang","Synthesis of isoquinolin-1,4-diones <i>via</i> photocatalytic C(sp<sup>2</sup>)-C(sp<sup>3</sup>)-scission/oxidation of 4-(hydroxy(aryl)methyl)-isoquinolin-1(2<i>H</i>)-ones.","Chemical communications (Cambridge, England)","2026","62","11","3522","3525","10.1039/d5cc03799a","","","0.71073","MoKα","","0.0524","0.0455","","","0.1144","0.1201","","","","","","1.04","","","","has coordinates","304718","2026-03-03","23:40:13",""
"7135552","22.7937","0.0008","22.7937","0.0008","9.0138","0.0004","90","","90","","120","","4055.7","0.3","273","2","273","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C60 H66 S6 -","- C60 H66 S6 -","- C180 H198 S18 -","3","0.166667","","d'Agostino, Simone; Vitale, Andrea; Kapadiya, Yashraj; Gingras, Marc; Negri, Fabrizia; Ceroni, Paola; Fermi, Andrea","Polymorphism-dependent room-temperature phosphorescence of a persulfurated benzene.","Chemical communications (Cambridge, England)","2026","62","24","6567","6571","10.1039/d6cc00320f","","x-ray","0.71073","MoKα","","0.0967","0.0591","","","0.1465","0.1711","","","","","","1.041","","","","has coordinates","305284","2026-04-05","11:34:54",""
"7135553","18.6009","0.0015","6.3115","0.0004","22.523","0.0014","90","","100.967","0.007","90","","2595.9","0.3","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C60 H66 S6 -","- C60 H66 S6 -","- C120 H132 S12 -","2","0.5","","d'Agostino, Simone; Vitale, Andrea; Kapadiya, Yashraj; Gingras, Marc; Negri, Fabrizia; Ceroni, Paola; Fermi, Andrea","Polymorphism-dependent room-temperature phosphorescence of a persulfurated benzene.","Chemical communications (Cambridge, England)","2026","62","24","6567","6571","10.1039/d6cc00320f","","x-ray","0.71073","MoKα","","0.2876","0.0953","","","0.1911","0.2916","","","","","","0.932","","","","has coordinates","305284","2026-04-05","11:34:54",""
"7135554","22.326","0.0006","22.326","0.0006","8.9976","0.0003","90","","90","","120","","3884","0.2","273","2","273","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C60 H66 S6 -","- C60 H66 S6 -","- C180 H198 S18 -","3","0.166667","","d'Agostino, Simone; Vitale, Andrea; Kapadiya, Yashraj; Gingras, Marc; Negri, Fabrizia; Ceroni, Paola; Fermi, Andrea","Polymorphism-dependent room-temperature phosphorescence of a persulfurated benzene.","Chemical communications (Cambridge, England)","2026","62","24","6567","6571","10.1039/d6cc00320f","","x-ray","0.71073","MoKα","","0.0598","0.0482","","","0.1105","0.116","","","","","","1.079","","","","has coordinates","305284","2026-04-05","11:34:54",""
"7135555","18.861","0.013","6.3789","0.0012","23.076","0.009","90","","100.795","0.006","90","","2727","2","298","","298","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C60 H66 S6 -","- C60 H66 S6 -","- C120 H132 S12 -","2","0.5","","d'Agostino, Simone; Vitale, Andrea; Kapadiya, Yashraj; Gingras, Marc; Negri, Fabrizia; Ceroni, Paola; Fermi, Andrea","Polymorphism-dependent room-temperature phosphorescence of a persulfurated benzene.","Chemical communications (Cambridge, England)","2026","62","24","6567","6571","10.1039/d6cc00320f","","x-ray","0.71073","MoKα","","0.2258","0.052","","","0.1043","0.1304","","","","","","0.691","","","","has coordinates","305284","2026-04-05","11:34:54",""
"7135556","17.7008","0.0006","28.3765","0.0012","36.0385","0.0015","90","","90","","90","","18101.7","1.2","180","","180","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C195 H173 Cl14 Dy4 N12 O17.5 -","- C191 H162 Cl6 Dy4 N12 O16 -","- C764 H648 Cl24 Dy16 N48 O64 -","4","1","","Qin, Haowei; Wang, Tingting; Feng, Tingting; Zhu, Zhenhua; Ying, Xu; Zhang, Peng; Tang, Jinkui","Chiral biphenanthrene-diol-based lanthanide cubanes.","Chemical communications (Cambridge, England)","2026","62","24","6591","6595","10.1039/d6cc00777e","","","0.71073","MoKα","","0.1018","0.0611","","","0.1218","0.1421","","","","","","1.029","","","","has coordinates","305285","2026-04-05","11:35:44",""
"7135557","17.5839","0.0007","28.4582","0.0014","35.8538","0.0016","90","","90","","90","","17941.5","1.4","180","","180","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C195 H173 Cl14 Dy4 N12 O17.5 -","- C190 H160 Cl4 Dy4 N12 O16 -","- C760 H640 Cl16 Dy16 N48 O64 -","4","1","","Qin, Haowei; Wang, Tingting; Feng, Tingting; Zhu, Zhenhua; Ying, Xu; Zhang, Peng; Tang, Jinkui","Chiral biphenanthrene-diol-based lanthanide cubanes.","Chemical communications (Cambridge, England)","2026","62","24","6591","6595","10.1039/d6cc00777e","","","0.71073","MoKα","","0.1215","0.0694","","","0.1366","0.1633","","","","","","1.013","","","","has coordinates","305285","2026-04-05","11:35:44",""
"7135558","17.4169","0.0004","28.5045","0.0008","35.6754","0.0011","90","","90","","90","","17711.4","0.8","180","","180","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C194 H171 Cl12 Er4 N12 O17.5 -","- C190 H160 Cl4 Er4 N12 O16 -","- C760 H640 Cl16 Er16 N48 O64 -","4","1","","Qin, Haowei; Wang, Tingting; Feng, Tingting; Zhu, Zhenhua; Ying, Xu; Zhang, Peng; Tang, Jinkui","Chiral biphenanthrene-diol-based lanthanide cubanes.","Chemical communications (Cambridge, England)","2026","62","24","6591","6595","10.1039/d6cc00777e","","","0.71073","MoKα","","0.0831","0.0562","","","0.1321","0.1558","","","","","","1.066","","","","has coordinates","305285","2026-04-05","11:35:44",""
"7135559","17.5439","0.0006","28.4744","0.0011","35.6072","0.0014","90","","90","","90","","17787.6","1.2","180","","180","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C195 H172 Cl14 Er4 N12 O17 -","- C189 H158 Cl2 Er4 N12 O16 -","- C756 H632 Cl8 Er16 N48 O64 -","4","1","","Qin, Haowei; Wang, Tingting; Feng, Tingting; Zhu, Zhenhua; Ying, Xu; Zhang, Peng; Tang, Jinkui","Chiral biphenanthrene-diol-based lanthanide cubanes.","Chemical communications (Cambridge, England)","2026","62","24","6591","6595","10.1039/d6cc00777e","","","0.71073","MoKα","","0.0799","0.0528","","","0.1147","0.1305","","","","","","1.016","","","","has coordinates","305285","2026-04-05","11:35:44",""
"7135560","11.0231","0.0005","12.611","0.0004","15.2281","0.0004","98.437","0.002","93.659","0.003","92.019","0.003","2087.58","0.13","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C51 H53 F6 N6 Sb -","- C51 H53 F5.994 N6 Sb0.999 -","- C102 H106 F11.988 N12 Sb1.998 -","2","1","","Wada, Kaito; Tanioka, Yuma; Mori, Shigeki; Uno, Hidemitsu; Takase, Masayoshi","π-Stacked dimerization of an antiaromatic homoHPHAC monocation.","Chemical communications (Cambridge, England)","2026","62","25","6716","6720","10.1039/d5cc07392h","","x-ray","0.71073","MoKα","","0.0768","0.0522","","","0.1131","0.1243","","","","","","1.033","","","","has coordinates,has disorder","305300","2026-04-05","11:41:42",""
"7135561","12.5338","0.0002","15.7508","0.0002","14.4968","0.0003","90","","115.625","0.002","90","","2580.43","0.09","120","1","120","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H76 Br2 O P4 -","- C46 H66 Br2 P4 -","- C92 H132 Br4 P8 -","2","0.5","","Senn, Sebastian; Konrad, Nele; Müller, Jens; Ballmann, Joachim; Gade, Lutz H.","Tetracationic phosphonium-bridged ladder stilbenes: redox states and electronic properties of highly charged P-heteropolycyclic materials","Chemical Communications","2026","62","23","6391","6395","10.1039/D6CC00544F","","x-ray","1.54184","CuKα","","0.0451","0.0416","","","0.1123","0.1157","","","","","","1.037","","","","has coordinates","305317","2026-04-05","11:45:17",""
"7135562","23.0439","0.0003","8.5972","0.0001","30.0718","0.0004","90","","102.595","0.001","90","","5814.25","0.13","120","1","120","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C56 H78 Br4 O2 P4 -","- C54 H70 Br4 P4 -","- C216 H280 Br16 P16 -","4","0.5","","Senn, Sebastian; Konrad, Nele; Müller, Jens; Ballmann, Joachim; Gade, Lutz H.","Tetracationic phosphonium-bridged ladder stilbenes: redox states and electronic properties of highly charged P-heteropolycyclic materials","Chemical Communications","2026","62","23","6391","6395","10.1039/D6CC00544F","","x-ray","1.54184","CuKα","","0.0571","0.0531","","","0.1541","0.1592","","","","","","1.072","","","","has coordinates","305317","2026-04-05","11:45:17",""
"7135563","12.4139","0.0003","12.4139","0.0003","32.4727","0.0005","90","","90","","120","","4333.77","0.16","120","1","120","1","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C46 H82 Br4 O8 P4 -","- C46 H66 Br4 P4 -","- C138 H198 Br12 P12 -","3","0.5","","Senn, Sebastian; Konrad, Nele; Müller, Jens; Ballmann, Joachim; Gade, Lutz H.","Tetracationic phosphonium-bridged ladder stilbenes: redox states and electronic properties of highly charged P-heteropolycyclic materials","Chemical Communications","2026","62","23","6391","6395","10.1039/D6CC00544F","","x-ray","1.54184","CuKα","","0.0585","0.0499","","","0.1299","0.1368","","","","","","1.03","","","","has coordinates,has disorder","305317","2026-04-05","11:45:17",""
"7135564","17.504","0.005","16.409","0.004","29.43","0.007","90","","106.308","0.004","90","","8113","4","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C80 H92 Cl Ir N4 O13 -","- C80 H92 Cl Ir N4 O13 -","- C320 H368 Cl4 Ir4 N16 O52 -","4","1","","Ogura, Shota; Sugiyama, Kanami; Higashi, Masahiro; Horiuchi, Shinnosuke","Unveiling a host-guest assembly composed of an emissive Ir(III) complex salt and a concave aromatic host at a local minimum state.","Chemical communications (Cambridge, England)","2026","62","24","6577","6581","10.1039/d5cc06960b","","","0.71075","MoKα","","0.1246","0.0795","","","0.2014","0.2389","","","","","","1.02","","","","has coordinates","305279","2026-04-05","11:34:23",""
"7135565","21.1828","0.0004","21.1828","0.0004","13.4693","0.0006","90","","90","","90","","6043.8","0.3","100","2","100","2","","","","","","","","6","I -4","I -4","82","","","","- C65 H50 Cl4 Ir2 N8 O6 -","- C65 H50 Cl4 Ir2 N8 O6 -","- C260 H200 Cl16 Ir8 N32 O24 -","4","0.5","","Ogura, Shota; Sugiyama, Kanami; Higashi, Masahiro; Horiuchi, Shinnosuke","Unveiling a host-guest assembly composed of an emissive Ir(III) complex salt and a concave aromatic host at a local minimum state.","Chemical communications (Cambridge, England)","2026","62","24","6577","6581","10.1039/d5cc06960b","","","0.71073","MoKα","","0.0345","0.0324","","","0.0783","0.0793","","","","","","1.032","","","","has coordinates,has disorder","305279","2026-04-05","11:34:23",""
"7135566","21.598","0.006","6.9255","0.0015","16.482","0.003","90","","90","","90","","2465.3","1","200","","200","","","","","","","","","4","P b a m","-P 2 2ab","55","","HIAM-204","","- C24 H15 Ca O5 -","- C24 H15 Ca O5 -","- C96 H60 Ca4 O20 -","4","0.5","","Mao, Shanshan; Miao, Jiafeng; Zhou, Kang; Yin, Li; Guo, Fu-An; Hei, Xiuze; Wang, Hao","Hydrophobic pores in a calcium-based MOF enable one-step ethylene purification from C<sub>2</sub>H<sub>2</sub>/CO<sub>2</sub>/C<sub>2</sub>H<sub>4</sub> mixtures.","Chemical communications (Cambridge, England)","2026","62","23","6351","6355","10.1039/d6cc00339g","","","1.54178","CuKα","","0.1199","0.0805","","","0.2065","0.2457","","","","","","0.997","","","","has coordinates","305764","2026-05-05","08:46:57",""
"7135567","10.0033","0.0004","12.9511","0.0004","16.0243","0.0005","97.87","0.003","91.414","0.003","109.58","0.003","1931.99","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C69 H8 Br N S2 -","- C69 H8 Br N S2 -","- C138 H16 Br2 N2 S4 -","2","1","","Chen, Jun-Shen; Qiu, Wen-Jie; Guo, Li-Feng; Wang, Guan-Wu","Mechanochemical applications of magnesium nitride to fullerene chemistry: synthesis of pyrroline-fused tetra-functionalized [60]fullerene derivatives.","Chemical communications (Cambridge, England)","2026","62","22","6114","6117","10.1039/d6cc00518g","","x-ray","1.54184","CuKα","","0.0737","0.0615","","","0.1731","0.1875","","","","","","1.016","","","","has coordinates,has disorder","305286","2026-04-05","11:35:59",""
"7135568","5.5451","0.0001","23.8249","0.0008","32.5396","0.0016","90","","90.416","0.002","90","","4298.7","0.3","150","0.1","150","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H14 F3 N O -","- C17 H14 F3 N O -","- C204 H168 F36 N12 O12 -","12","6","","Yu, Xiang; Niu, Mengru; Chen, Huan; Wu, Jiajia; Fang, Fang; Zhai, Xiaoting; Zhang, Guoyu","Enantioselective photoredox- and Cu-catalyzed alkoxycyanation of styrenes to synthesize chiral β-cyanoethers.","Chemical communications (Cambridge, England)","2026","62","22","6132","6136","10.1039/d6cc00758a","","","1.54178","CuKα","","0.052","0.0494","","","0.1367","0.1385","","","","","","1.027","","","","has coordinates","305289","2026-04-05","11:37:12",""
"7135569","7.7488","0.0001","8.7541","0.0002","36.3995","0.0007","90","","95.663","0.002","90","","2457.06","0.08","293.15","","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H19 F3 N2 O3 -","- C29 H19 F3 N2 O3 -","- C116 H76 F12 N8 O12 -","4","1","","Yu, Xiaowen; Li, Jinxia; Duan, Jiongjiong; Fan, Feifei; Xie, Huanping; Huang, Yanfan; Shi, Shukui; Kong, Weiguang; Li, Ting","Copper-catalysed decarboxylative alkynylation-cyclization reaction of propargylic cyclic carbonates with nitrile imines to access tetrasubstituted pyrazoles.","Chemical communications (Cambridge, England)","2026","62","24","6600","6603","10.1039/d5cc06713h","","x-ray","1.54178","CuKα","","0.146","0.1414","","","0.2746","0.276","","","","","","1.039","","","","has coordinates","305282","2026-04-05","11:34:46",""
"7135570","18.3289","0.0009","17.9535","0.0008","7.4598","0.0003","90","","90","","90","","2454.78","0.19","299","2","299","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C29 H21 Cl N2 O3 -","- C29 H21 Cl N2 O3 -","- C116 H84 Cl4 N8 O12 -","4","1","","Yu, Xiaowen; Li, Jinxia; Duan, Jiongjiong; Fan, Feifei; Xie, Huanping; Huang, Yanfan; Shi, Shukui; Kong, Weiguang; Li, Ting","Copper-catalysed decarboxylative alkynylation-cyclization reaction of propargylic cyclic carbonates with nitrile imines to access tetrasubstituted pyrazoles.","Chemical communications (Cambridge, England)","2026","62","24","6600","6603","10.1039/d5cc06713h","","","0.71073","MoKα","","0.0725","0.049","","","0.1181","0.14","","","","","","1.017","","","","has coordinates","305282","2026-04-05","11:34:46",""
"7135571","8.1799","0.0012","17.541","0.002","5.0739","0.0006","90","","90","","90","","728.02","0.16","298","2","298","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Fe5.52 Ge6 Yb Zn0.48 -","- Fe5.52 Ge6 Yb Zn0.48 -","- Fe22.08 Ge24 Yb4 Zn1.92 -","4","0.25","","Meduri, Rahul; Wilkinson, Grant R.; Idrees, Muhammad Z.; Wei, Kaya; Stoian, Sebastian A.; La Pierre, Henry S.; McCandless, Gregory T.; Chan, Julia Y.","Zn-flux-enabled synthesis of orthorhombic kagome YbFe<sub>6</sub>Ge<sub>6</sub>: Yb reduction and magnetic behavior.","Chemical communications (Cambridge, England)","2026","62","24","6617","6621","10.1039/d6cc00958a","","","0.71073","MoKα","","0.0355","0.0262","","","0.0612","0.0713","","","","","","1.188","","","","has coordinates,has disorder","305283","2026-04-05","11:34:49",""
"7135572","12.5022","0.0004","9.4634","0.0003","15.5437","0.0004","90","","111.466","0.003","90","","1711.46","0.1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","Quinidine Phenprocoumon acetonitrile solvate","","","- C40 H43 N3 O5 -","- C40 H43 N3 O5 -","- C80 H86 N6 O10 -","2","1","","Jiang, Yihua; Souare, Sokhna; Robeyns, Koen; Leng, Fucheng; Collard, Laurent; Leyssens, Tom","Solvent-triggered breakdown of solid solution behaviour enables direct enantioselective crystallization of <i>RS</i>-phenprocoumon.","Chemical communications (Cambridge, England)","2026","62","24","6613","6616","10.1039/d6cc00933f","","","0.71073","MoKα","","0.036","0.0334","","","0.08","0.0825","","","","","","1.055","","","","has coordinates,has disorder","305281","2026-04-05","11:34:35",""
"7135573","9.6446","0.0003","14.5699","0.0004","23.0364","0.0007","90","","90","","90","","3237.09","0.17","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Quinidine Phenprocoumon methanol solvate","","","- C38 H40 N2 O5 -","- C38 H40 N2 O5 -","- C152 H160 N8 O20 -","4","1","","Jiang, Yihua; Souare, Sokhna; Robeyns, Koen; Leng, Fucheng; Collard, Laurent; Leyssens, Tom","Solvent-triggered breakdown of solid solution behaviour enables direct enantioselective crystallization of <i>RS</i>-phenprocoumon.","Chemical communications (Cambridge, England)","2026","62","24","6613","6616","10.1039/d6cc00933f","","","0.71073","MoKα","","0.0822","0.0645","","","0.1697","0.1813","","","","","","1.068","","","","has coordinates,has disorder","305281","2026-04-05","11:34:35",""
"7135574","10.0076","0.0004","12.1774","0.0005","29.6416","0.001","90","","90","","90","","3612.3","0.2","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Quinidine Phenprocoumon chloroform solvate","","","- C39 H41 Cl3 N2 O5 -","- C39 H41 Cl3 N2 O5 -","- C156 H164 Cl12 N8 O20 -","4","1","","Jiang, Yihua; Souare, Sokhna; Robeyns, Koen; Leng, Fucheng; Collard, Laurent; Leyssens, Tom","Solvent-triggered breakdown of solid solution behaviour enables direct enantioselective crystallization of <i>RS</i>-phenprocoumon.","Chemical communications (Cambridge, England)","2026","62","24","6613","6616","10.1039/d6cc00933f","","","0.71073","MoKα","","0.0896","0.0656","","","0.1615","0.1765","","","","","","1.065","","","","has coordinates,has disorder","305281","2026-04-05","11:34:35",""
"7135575","9.9305","0.0011","12.4553","0.0015","15.747","0.002","87.322","0.01","87.545","0.01","89.705","0.01","1943.8","0.4","150","2","150","2","","","","","","","","4","P 1","P 1","1","Quinidine Phenprocoumon di-acetone solvate","","","- C44 H52 N2 O7 -","- C44 H52 N2 O7 -","- C88 H104 N4 O14 -","2","2","","Jiang, Yihua; Souare, Sokhna; Robeyns, Koen; Leng, Fucheng; Collard, Laurent; Leyssens, Tom","Solvent-triggered breakdown of solid solution behaviour enables direct enantioselective crystallization of <i>RS</i>-phenprocoumon.","Chemical communications (Cambridge, England)","2026","62","24","6613","6616","10.1039/d6cc00933f","","","0.71073","MoKα","","0.0961","0.0656","","","0.1291","0.1422","","","","","","1.058","","","","has coordinates,has disorder","305281","2026-04-05","11:34:35",""
"7135576","12.3135","0.0013","9.8662","0.001","15.529","0.002","90","","111.669","0.013","90","","1753.3","0.4","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","Quinidine Phenprocoumon ethanol solvate","","","- C40 H46 N2 O6 -","- C40 H46 N2 O6 -","- C80 H92 N4 O12 -","2","1","","Jiang, Yihua; Souare, Sokhna; Robeyns, Koen; Leng, Fucheng; Collard, Laurent; Leyssens, Tom","Solvent-triggered breakdown of solid solution behaviour enables direct enantioselective crystallization of <i>RS</i>-phenprocoumon.","Chemical communications (Cambridge, England)","2026","62","24","6613","6616","10.1039/d6cc00933f","","","0.71073","MoKα","","0.1139","0.0599","","","0.1113","0.1296","","","","","","0.987","","","","has coordinates,has disorder","305281","2026-04-05","11:34:35",""
"7135577","9.8974","0.0003","12.6796","0.0004","38.5083","0.0017","90","","90","","90","","4832.6","0.3","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Quinidine Phenprocoumon Ethyl acetate solvate","","","- C56 H56 N2 O8 -","- C56 H56 N2 O8 -","- C224 H224 N8 O32 -","4","1","","Jiang, Yihua; Souare, Sokhna; Robeyns, Koen; Leng, Fucheng; Collard, Laurent; Leyssens, Tom","Solvent-triggered breakdown of solid solution behaviour enables direct enantioselective crystallization of <i>RS</i>-phenprocoumon.","Chemical communications (Cambridge, England)","2026","62","24","6613","6616","10.1039/d6cc00933f","","","0.71073","MoKα","","0.1057","0.0858","","","0.2082","0.2219","","","","","","1.187","","","","has coordinates,has disorder","305281","2026-04-05","11:34:35",""
"7135578","6.9325","0.0002","11.039","0.0004","19.2749","0.0008","90","","90","","90","","1475.07","0.09","160","","160","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 N -","- C20 H21 N -","- C80 H84 N4 -","4","1","","Parui, Nabin; Maji, Kousik; Diasi, Manab; Dash, Jyotirmayee","A concise synthesis of indole-fused azepino- and azocino-indoles <i>via</i> acid-catalyzed 1,2-migration.","Chemical communications (Cambridge, England)","2026","62","25","6746","6750","10.1039/d5cc07212c","","x-ray","0.71073","MoKα","","0.0399","0.0381","","","0.1117","0.1127","","","","","","0.9503","","","","has coordinates","305301","2026-04-05","11:41:53",""
"7135579","8.155","0.0013","12.2573","0.0019","14.773","0.002","102.43","0.006","95.802","0.006","90.091","0.006","1434.3","0.4","139.99","","139.99","","","","","","","","","4","P -1","-P 1","2","","","","- C38 H36 F2 N2 -","- C38 H36 F2 N2 -","- C76 H72 F4 N4 -","2","1","","Parui, Nabin; Maji, Kousik; Diasi, Manab; Dash, Jyotirmayee","A concise synthesis of indole-fused azepino- and azocino-indoles <i>via</i> acid-catalyzed 1,2-migration.","Chemical communications (Cambridge, England)","2026","62","25","6746","6750","10.1039/d5cc07212c","","x-ray","0.71073","MoKα","","0.1719","0.1217","","","0.2924","0.3648","","","","","","1.1471","","","","has coordinates","305301","2026-04-05","11:41:53",""
"7135580","7.0126","0.0002","7.0126","0.0002","17.5752","0.0005","90","","90","","90","","864.29","0.04","173","0.1","173","0.1","","","","","","","","4","I 4/m m m","-I 4 2","139","","","","- Cl10 K4 O Tc2 -","- Cl10 K4 O Tc2 -","- Cl20 K8 O2 Tc4 -","2","0.0625","","Bustos, Jenna; Zakharov, Lev N.; Buils, Jordi; Hosseini, Farzaneh; Solé-Daura, Albert; Bo, Carles; Nyman, May","Building block approach to technetium-substituted polyoxotungstates.","Chemical communications (Cambridge, England)","2026","62","21","5875","5879","10.1039/d5cc06618b","","x-ray","1.54184","CuKα","","0.0279","0.0274","","","0.0675","0.0677","","","","","","1.127","","","","has coordinates","305322","2026-04-05","11:46:00",""
"7135581","11.1764","0.0003","13.2378","0.0006","17.844","0.0004","105.751","0.003","93.888","0.002","107.964","0.004","2383.7","0.16","172.99","0.11","172.99","0.11","","","","","","","","5","P -1","-P 1","2","","","","- Na16 O90 Si2 Tc2 W20 -","- Na16 O90 Si2 Tc2 W20 -","- Na16 O90 Si2 Tc2 W20 -","1","0.5","","Bustos, Jenna; Zakharov, Lev N.; Buils, Jordi; Hosseini, Farzaneh; Solé-Daura, Albert; Bo, Carles; Nyman, May","Building block approach to technetium-substituted polyoxotungstates.","Chemical communications (Cambridge, England)","2026","62","21","5875","5879","10.1039/d5cc06618b","","x-ray","1.54184","CuKα","","0.103","0.0859","","","0.2236","0.2453","","","","","","1.054","","","","has coordinates","305322","2026-04-05","11:46:00",""
"7135582","11.352","0.0002","18.3764","0.0003","12.9618","0.0002","90","","105.154","0.002","90","","2609.92","0.08","173","0.11","173","0.11","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- Cs14 O100 P2 Tc6 W20 -","- Cs14 O100 P2 Tc6 W20 -","- Cs14 O100 P2 Tc6 W20 -","1","0.25","","Bustos, Jenna; Zakharov, Lev N.; Buils, Jordi; Hosseini, Farzaneh; Solé-Daura, Albert; Bo, Carles; Nyman, May","Building block approach to technetium-substituted polyoxotungstates.","Chemical communications (Cambridge, England)","2026","62","21","5875","5879","10.1039/d5cc06618b","","x-ray","1.54184","CuKα","","0.0991","0.0955","","","0.2471","0.2493","","","","","","1.153","","","","has coordinates,has disorder","305322","2026-04-05","11:46:00",""
"7135583","6.7293","0.0012","21.385","0.003","17.178","0.003","90","","99.13","0.007","90","","2440.7","0.7","100.15","","100.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H25 Co F5 N4 O6 S -","- C18 H25 Co F5 N4 O6 S -","- C72 H100 Co4 F20 N16 O24 S4 -","4","1","","Scott, Kathleen M.; Kadakia, Rahul T.; Hastings, Christopher D.; Barone, Georgia E. F.; Reyna, Jackson A.; Xiong, Jin; Guo, Yisong; Que, Emily L.","A responsive Co(II) <sup>19</sup>F PARAShift probe: activation of Fermi contact interactions triggered by pH-dependent coordination changes.","Chemical communications (Cambridge, England)","2026","62","25","6741","6745","10.1039/d6cc00957c","","","0.71073","MoKα","","0.0914","0.0542","","","0.1228","0.1355","","","","","","1.027","","","","has coordinates,has disorder","305299","2026-04-05","11:41:33",""
"7135584","10.1113","0.0004","11.8024","0.0005","13.7663","0.0005","64.957","0.004","69.304","0.004","75.254","0.003","1381.63","0.11","100","0.2","100","0.2","","","","","","","","8","P -1","-P 1","2","","","","- C21 H34 Co F5 N4 Na O8 S -","- C21 H33.986 Co F5 N4 Na O8 S -","- C42 H67.972 Co2 F10 N8 Na2 O16 S2 -","2","1","","Scott, Kathleen M.; Kadakia, Rahul T.; Hastings, Christopher D.; Barone, Georgia E. F.; Reyna, Jackson A.; Xiong, Jin; Guo, Yisong; Que, Emily L.","A responsive Co(II) <sup>19</sup>F PARAShift probe: activation of Fermi contact interactions triggered by pH-dependent coordination changes.","Chemical communications (Cambridge, England)","2026","62","25","6741","6745","10.1039/d6cc00957c","","x-ray","1.54184","CuKα","","0.051","0.0482","","","0.1292","0.1314","","","","","","1.038","","","","has coordinates,has disorder","305299","2026-04-05","11:41:33",""
"7135585","11.696","0.0005","8.6183","0.0003","16.3091","0.0007","90","","109.013","0.004","90","","1554.27","0.11","100","0.3","100","0.3","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H32 B2 N12 Ni O2 -","- C32 H32 B2 N12 Ni O2 -","- C64 H64 B4 N24 Ni2 O4 -","2","0.5","","Zhang, Xiang-Ming; Fu, Jiang-Hong; Zhao, Pan-Pan; Chen, Shumei; Zhang, Hai-Xia; Zhang, Jian","Synthesis of hybrid nickel boron-oxo clusters for photocatalytic CO<sub>2</sub> reduction.","Chemical communications (Cambridge, England)","2026","62","26","6904","6908","10.1039/d5cc07399e","","x-ray","0.71073","MoKα","","0.1269","0.1191","","","0.2796","0.2831","","","","","","1.137","","","","has coordinates","305291","2026-04-05","11:37:45",""
"7135586","17.9513","0.0008","17.9513","0.0008","7.5178","0.0003","90","","90","","120","","2098.04","0.16","99.97","0.19","99.97","0.19","","","","","","","","6","P -3","-P 3","147","","","","- C9 H14 B9 N6 Ni O16 -","- C9 H13.9998 B9 N6 Ni O15.9999 -","- C18 H27.9996 B18 N12 Ni2 O31.9998 -","2","0.333333","","Zhang, Xiang-Ming; Fu, Jiang-Hong; Zhao, Pan-Pan; Chen, Shumei; Zhang, Hai-Xia; Zhang, Jian","Synthesis of hybrid nickel boron-oxo clusters for photocatalytic CO<sub>2</sub> reduction.","Chemical communications (Cambridge, England)","2026","62","26","6904","6908","10.1039/d5cc07399e","","x-ray","1.3405","GaKα","","0.0946","0.0744","","","0.2109","0.2228","","","","","","1.058","","","","has coordinates","305291","2026-04-05","11:37:45",""
"7135587","18.5281","0.0007","16.6027","0.0006","14.4927","0.0005","90","","95.728","0.003","90","","4435.9","0.3","99.97","0.12","99.97","0.12","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Ni(II)2[B3O3(OH)2Qi(Pz)2]2","","- C36 H36 B6 N14 Ni2 O10 -","- C36 H36 B6 N14 Ni2 O10 -","- C144 H144 B24 N56 Ni8 O40 -","4","0.5","","Zhang, Xiang-Ming; Fu, Jiang-Hong; Zhao, Pan-Pan; Chen, Shumei; Zhang, Hai-Xia; Zhang, Jian","Synthesis of hybrid nickel boron-oxo clusters for photocatalytic CO<sub>2</sub> reduction.","Chemical communications (Cambridge, England)","2026","62","26","6904","6908","10.1039/d5cc07399e","","x-ray","0.71073","MoKα","","0.1232","0.0591","","","0.1198","0.1415","","","","","","0.971","","","","has coordinates","305291","2026-04-05","11:37:45",""
"7135588","10.9912","0.0004","7.7964","0.0003","29.0779","0.0011","90","","90","","90","","2491.74","0.16","170","","170","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H12 N2 O -","- C16 H12 N2 O -","- C128 H96 N16 O8 -","8","1","","Guo, Chengxian; Xing, Qiaoyan; Xie, Hongding; Liu, Jiamiao; Li, Jiahui; Zhang, Junliang; Wang, Huamin","Desulfonylcyanamidation of α,β-unsaturated sulfones with <i>N</i>-tosyl <i>N</i>-aryl cyanamides (NCTS): access to <i>N</i>-cyanoenaminones.","Chemical communications (Cambridge, England)","2026","62","25","6768","6772","10.1039/d6cc00754f","","x-ray","1.34139","GaKα","","0.0507","0.0413","","","0.1107","0.1142","","","","","","1.032","","","","has coordinates","305297","2026-04-05","11:41:17",""
"7135589","14.229","0.0004","12.9685","0.0004","26.3149","0.0007","90","","90","","90","","4855.9","0.2","115","","115","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C28 H16 Br2 N8 -","- C28 H16 Br2 N8 -","- C224 H128 Br16 N64 -","8","2","","Mboyi, Clève D; Sabbadin, Henri; Penouilh, Marie-José; Bonnin, Quentin; Amardeil, Régine; Cattey, Hélène; Fournier, Sophie; Devillers, Charles H.; Roger, Julien; Hierso, Jean-Cyrille","Small cavitand macrocycles from direct C-C coupling of <i>s</i>-aryl tetrazine units.","Chemical communications (Cambridge, England)","2026","62","26","6987","6991","10.1039/d6cc00124f","","x-ray","0.71073","MoKα","K-L~3~","0.0467","0.0294","","","0.0548","0.0596","","","","","","1.018","","","","has coordinates","305292","2026-04-05","11:38:01",""
"7135590","27.3462","0.0007","7.8804","0.0002","25.6877","0.0006","90","","94.721","0.001","90","","5516.9","0.2","115","","115","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H10 Br3.79 F4.21 N8 -","- C28 H10 Br3.79 F4.21 N8 -","- C224 H80 Br30.32 F33.68 N64 -","8","1","","Mboyi, Clève D; Sabbadin, Henri; Penouilh, Marie-José; Bonnin, Quentin; Amardeil, Régine; Cattey, Hélène; Fournier, Sophie; Devillers, Charles H.; Roger, Julien; Hierso, Jean-Cyrille","Small cavitand macrocycles from direct C-C coupling of <i>s</i>-aryl tetrazine units.","Chemical communications (Cambridge, England)","2026","62","26","6987","6991","10.1039/d6cc00124f","","x-ray","0.71073","MoKα","K-L~3~","0.0545","0.0441","","","0.0945","0.0979","","","","","","1.126","","","","has coordinates,has disorder","305292","2026-04-05","11:38:01",""
"7135591","12.6054","0.0007","13.4378","0.0007","15.1105","0.0008","90","","109.094","0.001","90","","2418.7","0.2","115","","115","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H17 Br N8 -","- C28 H17 Br N8 -","- C112 H68 Br4 N32 -","4","1","","Mboyi, Clève D; Sabbadin, Henri; Penouilh, Marie-José; Bonnin, Quentin; Amardeil, Régine; Cattey, Hélène; Fournier, Sophie; Devillers, Charles H.; Roger, Julien; Hierso, Jean-Cyrille","Small cavitand macrocycles from direct C-C coupling of <i>s</i>-aryl tetrazine units.","Chemical communications (Cambridge, England)","2026","62","26","6987","6991","10.1039/d6cc00124f","","x-ray","0.71073","MoKα","K-L~3~","0.0696","0.0465","","","0.1128","0.1222","","","","","","1.136","","","","has coordinates","305292","2026-04-05","11:38:01",""
"7135592","12.5323","0.0012","26.102","0.003","15.6284","0.0015","90","","101.219","0.003","90","","5014.6","0.9","115","","115","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C58 H36 Cl4 N16 -","- C58 H36 Cl4 N16 -","- C232 H144 Cl16 N64 -","4","1","","Mboyi, Clève D; Sabbadin, Henri; Penouilh, Marie-José; Bonnin, Quentin; Amardeil, Régine; Cattey, Hélène; Fournier, Sophie; Devillers, Charles H.; Roger, Julien; Hierso, Jean-Cyrille","Small cavitand macrocycles from direct C-C coupling of <i>s</i>-aryl tetrazine units.","Chemical communications (Cambridge, England)","2026","62","26","6987","6991","10.1039/d6cc00124f","","x-ray","0.71073","MoKα","K-L~3~","0.1226","0.0749","","","0.1225","0.146","","","","","","1.171","","","","has coordinates,has disorder","305292","2026-04-05","11:38:01",""
"7135593","14.5165","0.0008","12.9555","0.0007","21.3838","0.0011","90","","101.202","0.001","90","","3945","0.4","110","","110","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H26 F6 N12 O -","- C46 H26 F6 N12 O -","- C184 H104 F24 N48 O4 -","4","1","","Mboyi, Clève D; Sabbadin, Henri; Penouilh, Marie-José; Bonnin, Quentin; Amardeil, Régine; Cattey, Hélène; Fournier, Sophie; Devillers, Charles H.; Roger, Julien; Hierso, Jean-Cyrille","Small cavitand macrocycles from direct C-C coupling of <i>s</i>-aryl tetrazine units.","Chemical communications (Cambridge, England)","2026","62","26","6987","6991","10.1039/d6cc00124f","","x-ray","0.71073","MoKα","K-L~3~","0.1075","0.0538","","","0.1294","0.1596","","","","","","1.021","","","","has coordinates,has disorder","305292","2026-04-05","11:38:01",""
"7135594","10.13","0.002","20.64","0.004","21.16","0.004","112.9","0.03","98.2","0.03","90.4","0.03","4024.4","1.7","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C39 H72 Mg N O P Si -","- C39 H72 Mg N O P Si -","- C156 H288 Mg4 N4 O4 P4 Si4 -","4","2","","Kubisz, M.; Fernandez, I.; Hadlington, T. J.","Catalyst-free insertion of carbon monoxide into terminal Mg-C(sp<sup>3</sup>) bonds.","Chemical communications (Cambridge, England)","2026","62","29","7519","7523","10.1039/d6cc00736h","","","0.71073","MoKα","","0.1776","0.0777","","","0.187","0.246","","","","","","0.933","","","","has coordinates,has disorder","305733","2026-05-05","08:36:36",""
"7135595","17.98","0.004","11.29","0.002","19.38","0.004","90","","102.8","0.03","90","","3836.3","1.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C80 H126 Mg2 N2 P2 Si2 -","- C80 H126 Mg2 N2 P2 Si2 -","- C160 H252 Mg4 N4 P4 Si4 -","2","0.5","","Kubisz, M.; Fernandez, I.; Hadlington, T. J.","Catalyst-free insertion of carbon monoxide into terminal Mg-C(sp<sup>3</sup>) bonds.","Chemical communications (Cambridge, England)","2026","62","29","7519","7523","10.1039/d6cc00736h","","","0.71073","MoKα","","0.1566","0.0592","","","0.0906","0.1212","","","","","","0.795","","","","has coordinates","305733","2026-05-05","08:36:36",""
"7135596","10.35","0.002","13.04","0.003","14.35","0.003","65.3","0.03","74.3","0.03","71.3","0.03","1645.5","0.8","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H116 Mg2 N2 P2 Si2 -","- C64 H116 Mg2 N2 P2 Si2 -","- C64 H116 Mg2 N2 P2 Si2 -","1","0.5","","Kubisz, M.; Fernandez, I.; Hadlington, T. J.","Catalyst-free insertion of carbon monoxide into terminal Mg-C(sp<sup>3</sup>) bonds.","Chemical communications (Cambridge, England)","2026","62","29","7519","7523","10.1039/d6cc00736h","","","0.71073","MoKα","","0.0404","0.0337","","","0.0925","0.0963","","","","","","1.056","","","","has coordinates","305733","2026-05-05","08:36:36",""
"7135597","15.96","0.003","14.18","0.003","17.72","0.004","90","","105.9","0.03","90","","3856.8","1.5","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C39 H60 Mg N O P Si -","- C39 H60 Mg N O P Si -","- C156 H240 Mg4 N4 O4 P4 Si4 -","4","1","","Kubisz, M.; Fernandez, I.; Hadlington, T. J.","Catalyst-free insertion of carbon monoxide into terminal Mg-C(sp<sup>3</sup>) bonds.","Chemical communications (Cambridge, England)","2026","62","29","7519","7523","10.1039/d6cc00736h","","","0.71073","MoKα","","0.0416","0.0372","","","0.1026","0.1061","","","","","","1.061","","","","has coordinates,has disorder","305733","2026-05-05","08:36:36",""
"7135598","19.19","0.004","10.33","0.002","22.22","0.004","90","","115.1","0.03","90","","3988.8","1.7","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C74 H140 Mg4 N2 P2 Si2 -","- C74 H140 Mg4 N2 P2 Si2 -","- C148 H280 Mg8 N4 P4 Si4 -","2","0.5","","Kubisz, M.; Fernandez, I.; Hadlington, T. J.","Catalyst-free insertion of carbon monoxide into terminal Mg-C(sp<sup>3</sup>) bonds.","Chemical communications (Cambridge, England)","2026","62","29","7519","7523","10.1039/d6cc00736h","","","0.71073","MoKα","","0.0708","0.0413","","","0.0971","0.1071","","","","","","0.858","","","","has coordinates","305733","2026-05-05","08:36:36",""
"7135599","10.63","0.002","11.19","0.002","19.26","0.004","82","0.03","86.5","0.03","73.5","0.03","2174.7","0.8","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H77 Mg N O P Si -","- C44 H77 Mg N O P Si -","- C88 H154 Mg2 N2 O2 P2 Si2 -","2","1","","Kubisz, M.; Fernandez, I.; Hadlington, T. J.","Catalyst-free insertion of carbon monoxide into terminal Mg-C(sp<sup>3</sup>) bonds.","Chemical communications (Cambridge, England)","2026","62","29","7519","7523","10.1039/d6cc00736h","","","0.71073","MoKα","","0.0457","0.0427","","","0.1233","0.1263","","","","","","1.035","","","","has coordinates,has disorder","305733","2026-05-05","08:36:36",""
"7135600","15.8577","0.0011","19.881","0.0013","26.5216","0.0019","90","","90.826","0.006","90","","8360.5","1","150","","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C84 H140 Mg2 N2 O2 P2 Si2 -","- C84 H140 Mg2 N2 O2 P2 Si2 -","- C336 H560 Mg8 N8 O8 P8 Si8 -","4","1","","Kubisz, M.; Fernandez, I.; Hadlington, T. J.","Catalyst-free insertion of carbon monoxide into terminal Mg-C(sp<sup>3</sup>) bonds.","Chemical communications (Cambridge, England)","2026","62","29","7519","7523","10.1039/d6cc00736h","","","0.71073","MoKα","","0.0562","0.0436","","","0.1106","0.1198","","","","","","1.025","","","","has coordinates","305733","2026-05-05","08:36:36",""
"7135601","15.42","0.003","15.39","0.003","30.35","0.006","90","","103.2","0.03","90","","7012","3","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C72 H104 Mg2 N2 O2 P2 Si2 -","- C72 H104 Mg2 N2 O2 P2 Si2 -","- C288 H416 Mg8 N8 O8 P8 Si8 -","4","1","","Kubisz, M.; Fernandez, I.; Hadlington, T. J.","Catalyst-free insertion of carbon monoxide into terminal Mg-C(sp<sup>3</sup>) bonds.","Chemical communications (Cambridge, England)","2026","62","29","7519","7523","10.1039/d6cc00736h","","","0.71073","MoKα","","0.0985","0.0489","","","0.0945","0.11","","","","","","0.897","","","","has coordinates","305733","2026-05-05","08:36:36",""
"7135602","13.433","0.003","12.45","0.003","20.428","0.004","90","","106.7","0.03","90","","3272.3","1.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C62 H112 Mg2 N2 P2 Si2 -","- C62 H112 Mg2 N2 P2 Si2 -","- C124 H224 Mg4 N4 P4 Si4 -","2","0.5","","Kubisz, M.; Fernandez, I.; Hadlington, T. J.","Catalyst-free insertion of carbon monoxide into terminal Mg-C(sp<sup>3</sup>) bonds.","Chemical communications (Cambridge, England)","2026","62","29","7519","7523","10.1039/d6cc00736h","","","0.71073","MoKα","","0.0778","0.0673","","","0.1743","0.1889","","","","","","1.054","","","","has coordinates,has disorder","305733","2026-05-05","08:36:36",""
"7135603","20.032","0.004","19.501","0.004","19.921","0.004","90","","95.54","0.03","90","","7746","3","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C36.955 H67.886 Br0.023 Mg N O P Si -","- C36.9544 H67.886 Br0.0228 Mg N O P Si -","- C295.635 H543.088 Br0.1824 Mg8 N8 O8 P8 Si8 -","8","2","","Kubisz, M.; Fernandez, I.; Hadlington, T. J.","Catalyst-free insertion of carbon monoxide into terminal Mg-C(sp<sup>3</sup>) bonds.","Chemical communications (Cambridge, England)","2026","62","29","7519","7523","10.1039/d6cc00736h","","","0.71073","MoKα","","0.0514","0.0425","","","0.111","0.1175","","","","","","1.016","","","","has coordinates,has disorder","305733","2026-05-05","08:36:36",""
"7135604","11.5848","0.0003","7.2834","0.0002","32.0201","0.0008","90","","96.31","0.002","90","","2685.38","0.12","223.15","","223.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H5 Cl F9 N -","- C12 H5 Cl F9 N -","- C96 H40 Cl8 F72 N8 -","8","2","","Koike, Takashi; Taguchi, Hina; Hirota, Kaori; Kiyatake, Shota; Tatara, Naohiro; Kayaki, Yoshihito; Yamaguchi, Airi; Yajima, Tomoko","Facile generation and reaction of densely trifluoromethylated alkyl radicals by dual photoredox and acid catalysis.","Chemical communications (Cambridge, England)","2026","62","28","7319","7323","10.1039/d6cc00475j","","x-ray","1.54184","CuKα","","0.0832","0.0751","","","0.2268","0.2333","","","","","","1.11","","","","has coordinates","305735","2026-05-05","08:36:50",""
"7135605","9.608","0.0001","9.0002","0.0001","20.4814","0.0003","90","","95.068","0.001","90","","1764.18","0.04","170","","170","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 F12 N6 -","- C12 H12 F12 N6 -","- C48 H48 F48 N24 -","4","1","","Wang, Yuehui; Wen, Lele; Ling, Lin; Xing, Chunhui; Lu, Long","Direct NF<sub>2</sub> functionalization of ketones: a mild strategy for accessing high-performance gem-difluoroamino compounds.","Chemical communications (Cambridge, England)","2026","62","19","5429","5432","10.1039/d6cc00009f","","","1.34139","GaKα","","0.046","0.0401","","","0.1128","0.1165","","","","","","1.052","","","","has coordinates","305019","2026-03-10","22:57:54",""
"7135606","7.4094","0.0004","7.8335","0.0004","21.8556","0.0011","90","","90","","90","","1268.53","0.11","296","","296","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H12 F8 N4 -","- C10 H12 F8 N4 -","- C40 H48 F32 N16 -","4","1","","Wang, Yuehui; Wen, Lele; Ling, Lin; Xing, Chunhui; Lu, Long","Direct NF<sub>2</sub> functionalization of ketones: a mild strategy for accessing high-performance gem-difluoroamino compounds.","Chemical communications (Cambridge, England)","2026","62","19","5429","5432","10.1039/d6cc00009f","","","0.71073","MoKα","","0.0725","0.0466","","","0.1179","0.1344","","","","","","1.025","","","","has coordinates","305019","2026-03-10","22:57:55",""
"7135607","14.8303","0.0001","15.7103","0.0001","18.4694","0.0001","90","","90","","90","","4303.16","0.05","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H24 Cu N8 O -","- C22 H24 Cu N8 O -","- C176 H192 Cu8 N64 O8 -","8","1","","Shrivastav, Akash; Bhattacharya, Subrato","iClick reaction of a Cu(II) azido complex having a Schiff base ligand.","Chemical communications (Cambridge, England)","2026","62","30","7750","7754","10.1039/d6cc00423g","","","1.54184","CuKα","","0.0312","0.0282","","","0.0808","0.0834","","","","","","1.067","","","","has coordinates","305755","2026-05-05","08:45:12",""
"7135608","12.1966","0.0006","8.964","0.0003","15.6705","0.0008","90","","97.257","0.004","90","","1699.54","0.13","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H10 Cu N6 O2 -","- C18 H10 Cu N6 O2 -","- C72 H40 Cu4 N24 O8 -","4","2","","Shrivastav, Akash; Bhattacharya, Subrato","iClick reaction of a Cu(II) azido complex having a Schiff base ligand.","Chemical communications (Cambridge, England)","2026","62","30","7750","7754","10.1039/d6cc00423g","","x-ray","1.54184","CuKα","","0.1211","0.0985","","","0.2569","0.2806","","","","","","1.016","","","","has coordinates","305755","2026-05-05","08:45:12",""
"7135609","32.5141","0.0003","13.8003","0.0001","19.1607","0.0002","90","","107.065","0.001","90","","8218.96","0.14","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H45 Cu2 N7 O7 -","- C38 H45 Cu2 N7 O7 -","- C304 H360 Cu16 N56 O56 -","8","1","","Shrivastav, Akash; Bhattacharya, Subrato","iClick reaction of a Cu(II) azido complex having a Schiff base ligand.","Chemical communications (Cambridge, England)","2026","62","30","7750","7754","10.1039/d6cc00423g","","x-ray","1.54184","CuKα","","0.0563","0.0488","","","0.1408","0.1473","","","","","","1.063","","","","has coordinates,has disorder","305755","2026-05-05","08:45:12",""
"7135610","7.2005","0.0002","13.8992","0.0004","33.6442","0.0009","90","","90","","90","","3367.15","0.16","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H21 Cu N5 O -","- C17 H21 Cu N5 O -","- C136 H168 Cu8 N40 O8 -","8","1","","Shrivastav, Akash; Bhattacharya, Subrato","iClick reaction of a Cu(II) azido complex having a Schiff base ligand.","Chemical communications (Cambridge, England)","2026","62","30","7750","7754","10.1039/d6cc00423g","","x-ray","1.54184","CuKα","","0.0722","0.0594","","","0.1652","0.179","","","","","","1.016","","","","has coordinates","305755","2026-05-05","08:45:12",""
"7135611","8.0354","0.0002","12.7317","0.0003","7.4563","0.0002","90","","96.782","0.002","90","","757.47","0.03","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 Cu N10 O2 -","- C12 H12 Cu N10 O2 -","- C24 H24 Cu2 N20 O4 -","2","0.5","","Shrivastav, Akash; Bhattacharya, Subrato","iClick reaction of a Cu(II) azido complex having a Schiff base ligand.","Chemical communications (Cambridge, England)","2026","62","30","7750","7754","10.1039/d6cc00423g","","x-ray","1.54184","CuKα","","0.0276","0.0267","","","0.0785","0.0794","","","","","","1.084","","","","has coordinates","305755","2026-05-05","08:45:12",""
"7135612","9.7664","0.0001","14.5775","0.0001","20.2849","0.0002","90","","90","","90","","2887.96","0.05","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C24 H27 Cl3 Cu F3 N5 O3 -","- C24 H27 Cl3 Cu F3 N5 O3 -","- C96 H108 Cl12 Cu4 F12 N20 O12 -","4","1","","Shrivastav, Akash; Bhattacharya, Subrato","iClick reaction of a Cu(II) azido complex having a Schiff base ligand.","Chemical communications (Cambridge, England)","2026","62","30","7750","7754","10.1039/d6cc00423g","","x-ray","1.54184","CuKα","","0.0499","0.0462","","","0.1328","0.1366","","","","","","1.035","","","","has coordinates","305755","2026-05-05","08:45:12",""
"7135613","17.84","0.04","13.453","0.014","36.71","0.04","90","","101.14","0.05","90","","8644","2","180","","180","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C41 H61 K Mg N2 O2 S -","- C41 H61 K Mg N2 O2 S -","- C328 H488 K8 Mg8 N16 O16 S8 -","8","1","","Yang, Li; Sun, Zhenzhou; Wang, Lin; Geng, Jianqi; Wu, Biao; Yang, Xiao-Juan","Direct C-H magnesiation of thiophenes with an Mg-Mg-bonded compound.","Chemical communications (Cambridge, England)","2026","62","27","7172","7175","10.1039/d6cc00381h","","","0.71073","MoKα","","0.108","0.0505","","","0.1173","0.143","","","","","","1.014","","","","has coordinates,has disorder","305745","2026-05-05","08:39:21",""
"7135614","14.304","0.0008","14.3229","0.0008","20.2313","0.0011","91.745","0.002","92.462","0.002","90.652","0.002","4138.8","0.4","180","","180","","","","","","","","","7","P -1","-P 1","2","","","","- C83 H118 K2 Mg2 N4 O2 S2 -","- C83 H118 K2 Mg2 N4 O2 S2 -","- C166 H236 K4 Mg4 N8 O4 S4 -","2","1","","Yang, Li; Sun, Zhenzhou; Wang, Lin; Geng, Jianqi; Wu, Biao; Yang, Xiao-Juan","Direct C-H magnesiation of thiophenes with an Mg-Mg-bonded compound.","Chemical communications (Cambridge, England)","2026","62","27","7172","7175","10.1039/d6cc00381h","","","0.71073","MoKα","","0.1337","0.0821","","","0.2274","0.2674","","","","","","1.039","","","","has coordinates,has disorder","305745","2026-05-05","08:39:21",""
"7135615","17.3049","0.0004","13.2052","0.0003","36.1133","0.0009","90","","95.887","0.002","90","","8208.9","0.3","100","0.1","100","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C41 H61 K Mg N2 O3 S -","- C41 H61 K Mg N2 O3 S -","- C328 H488 K8 Mg8 N16 O24 S8 -","8","1","","Yang, Li; Sun, Zhenzhou; Wang, Lin; Geng, Jianqi; Wu, Biao; Yang, Xiao-Juan","Direct C-H magnesiation of thiophenes with an Mg-Mg-bonded compound.","Chemical communications (Cambridge, England)","2026","62","27","7172","7175","10.1039/d6cc00381h","","x-ray","0.71073","MoKα","","0.0643","0.0485","","","0.1222","0.1299","","","","","","1.02","","","","has coordinates","305745","2026-05-05","08:39:21",""
"7135616","16.1294","0.0014","21.3984","0.0018","23.591","0.002","90","","90","","90","","8142.3","1.2","180.01","","180.01","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C42 H61 K Mg N2 O4 S -","- C42 H61 K Mg N2 O4 S -","- C336 H488 K8 Mg8 N16 O32 S8 -","8","1","","Yang, Li; Sun, Zhenzhou; Wang, Lin; Geng, Jianqi; Wu, Biao; Yang, Xiao-Juan","Direct C-H magnesiation of thiophenes with an Mg-Mg-bonded compound.","Chemical communications (Cambridge, England)","2026","62","27","7172","7175","10.1039/d6cc00381h","","","0.71073","MoKα","","0.1639","0.0967","","","0.2444","0.2875","","","","","","1.037","","","","has coordinates,has disorder","305745","2026-05-05","08:39:21",""
"7135617","15.971","0.004","22.01","0.005","22.603","0.005","90","","90","","90","","7945","3","180.15","","180.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C40 H59 K Mg N2 O2 S -","- C40 H59 K Mg N2 O2 S -","- C320 H472 K8 Mg8 N16 O16 S8 -","8","1","","Yang, Li; Sun, Zhenzhou; Wang, Lin; Geng, Jianqi; Wu, Biao; Yang, Xiao-Juan","Direct C-H magnesiation of thiophenes with an Mg-Mg-bonded compound.","Chemical communications (Cambridge, England)","2026","62","27","7172","7175","10.1039/d6cc00381h","","","0.71073","MoKα","","0.1796","0.0942","","","0.2287","0.2797","","","","","","1.023","","","","has coordinates","305745","2026-05-05","08:39:21",""
"7135618","17.214","0.002","19.393","0.002","27.132","0.003","90","","107.346","0.003","90","","8645.6","1.7","180","","180","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C86 H130 K2 Mg2 N4 O6 S2 -","- C86 H130 K2 Mg2 N4 O6 S2 -","- C344 H520 K8 Mg8 N16 O24 S8 -","4","1","","Yang, Li; Sun, Zhenzhou; Wang, Lin; Geng, Jianqi; Wu, Biao; Yang, Xiao-Juan","Direct C-H magnesiation of thiophenes with an Mg-Mg-bonded compound.","Chemical communications (Cambridge, England)","2026","62","27","7172","7175","10.1039/d6cc00381h","","","0.71073","MoKα","","0.2013","0.0816","","","0.1961","0.2563","","","","","","1.021","","","","has coordinates,has disorder","305745","2026-05-05","08:39:21",""
"7135619","18.0904","0.001","13.4627","0.0008","20.4918","0.0012","90","","113.102","0.002","90","","4590.5","0.5","180","","180","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C88 H132 K2 Mg2 N4 O6 S2 -","- C88 H132 K2 Mg2 N4 O6 S2 -","- C176 H264 K4 Mg4 N8 O12 S4 -","2","0.5","","Yang, Li; Sun, Zhenzhou; Wang, Lin; Geng, Jianqi; Wu, Biao; Yang, Xiao-Juan","Direct C-H magnesiation of thiophenes with an Mg-Mg-bonded compound.","Chemical communications (Cambridge, England)","2026","62","27","7172","7175","10.1039/d6cc00381h","","","0.71073","MoKα","","0.0926","0.0547","","","0.1316","0.1543","","","","","","1.016","","","","has coordinates,has disorder","305745","2026-05-05","08:39:21",""
"7135620","38.2556","0.0019","10.5263","0.0006","19.3654","0.0011","90","","93.559","0.002","90","","7783.2","0.7","180","","180","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C40 H53 K Mg N2 O S -","- C40 H53 K Mg N2 O S -","- C320 H424 K8 Mg8 N16 O8 S8 -","8","1","","Yang, Li; Sun, Zhenzhou; Wang, Lin; Geng, Jianqi; Wu, Biao; Yang, Xiao-Juan","Direct C-H magnesiation of thiophenes with an Mg-Mg-bonded compound.","Chemical communications (Cambridge, England)","2026","62","27","7172","7175","10.1039/d6cc00381h","","","0.71073","MoKα","","0.1318","0.0897","","","0.2285","0.2519","","","","","","1.112","","","","has coordinates,has disorder","305745","2026-05-05","08:39:21",""
"7135621","16.0887","0.0019","21.608","0.003","23.849","0.003","90","","90","","90","","8291","1.8","180","","180","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C42 H63 K Mg N2 O2 S -","- C42 H63 K Mg N2 O2 S -","- C336 H504 K8 Mg8 N16 O16 S8 -","8","1","","Yang, Li; Sun, Zhenzhou; Wang, Lin; Geng, Jianqi; Wu, Biao; Yang, Xiao-Juan","Direct C-H magnesiation of thiophenes with an Mg-Mg-bonded compound.","Chemical communications (Cambridge, England)","2026","62","27","7172","7175","10.1039/d6cc00381h","","","0.71073","MoKα","","0.1759","0.0849","","","0.2257","0.2818","","","","","","1.022","","","","has coordinates,has disorder","305745","2026-05-05","08:39:21",""
"7135622","15.982","0.0019","21.314","0.002","23.857","0.003","90","","90","","90","","8126.7","1.6","180","","180","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C41 H61 K Mg N2 O2 S -","- C41 H61 K Mg N2 O2 S -","- C328 H488 K8 Mg8 N16 O16 S8 -","8","1","","Yang, Li; Sun, Zhenzhou; Wang, Lin; Geng, Jianqi; Wu, Biao; Yang, Xiao-Juan","Direct C-H magnesiation of thiophenes with an Mg-Mg-bonded compound.","Chemical communications (Cambridge, England)","2026","62","27","7172","7175","10.1039/d6cc00381h","","","0.71073","MoKα","","0.1276","0.0744","","","0.1787","0.2096","","","","","","1.029","","","","has coordinates,has disorder","305745","2026-05-05","08:39:21",""
"7135623","8.0539","0.0002","12.3788","0.0002","22.5477","0.0003","90","","90","","90","","2247.95","0.07","110","0.1","110","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H39 Cl Fe P2 -","- C20 H39 Cl Fe P2 -","- C80 H156 Cl4 Fe4 P8 -","4","1","","Taylor, Logan J.; Dilinaer, A. Dina; Boyle, Paul D.; Drover, Marcus W.","Backbone deprotonation defines a hidden decomposition pathway of diphosphine ligands.","Chemical communications (Cambridge, England)","2026","62","29","7524","7528","10.1039/d6cc01011c","","x-ray","1.54184","CuKα","","0.0307","0.0295","","","0.0681","0.0686","","","","","","1.046","","","","has coordinates,has disorder","305732","2026-05-05","08:36:23",""
"7135624","17.6727","0.0001","17.4657","0.0001","31.0204","0.0002","90","","90","","90","","9574.95","0.1","110.15","","110.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C102 H150 B2 Fe2 P6 -","- C102 H150 B2 Fe2 P6 -","- C408 H600 B8 Fe8 P24 -","4","0.5","","Taylor, Logan J.; Dilinaer, A. Dina; Boyle, Paul D.; Drover, Marcus W.","Backbone deprotonation defines a hidden decomposition pathway of diphosphine ligands.","Chemical communications (Cambridge, England)","2026","62","29","7524","7528","10.1039/d6cc01011c","","","1.54184","CuKα","","0.0425","0.0409","","","0.1091","0.1101","","","","","","1.107","","","","has coordinates","305732","2026-05-05","08:36:23",""
"7135625","4.0937","0.0005","11.9204","0.0015","11.025","0.0016","90","","93.656","0.011","90","","536.91","0.12","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C5 H7 Cl4 I N2 -","- C5 H7 Cl4 I N2 -","- C10 H14 Cl8 I2 N4 -","2","0.5","","Liu, Yi-Chen; Zhang, Ming-Zhi; Hu, Chun-Li; Mao, Jiang-Gao","[ICl<sub>4</sub>]<sup>-</sup>: A large anisotropic planar anion group produces giant birefringence.","Chemical communications (Cambridge, England)","2026","62","28","7394","7398","10.1039/d6cc00713a","","","0.71073","MoKα","","0.0482","0.0364","","","0.0813","0.0886","","","","","","1.075","","","","has coordinates","305734","2026-05-05","08:36:47",""
"7135626","9.3319","0.0003","9.4965","0.0003","10.8223","0.0004","100.531","0.0014","92.6979","0.0016","106.828","0.0015","897.44","0.05","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H13 Br I N O3 -","- C19 H13 Br I N O3 -","- C38 H26 Br2 I2 N2 O6 -","2","1","","Liu, Zi-Li; Yang, Yu-Heng; Chen, Ke; Wang, Xiang; Hao, Wen-Juan; Tu, Man-Su; Jiang, Bo","Copper-catalyzed stereodefined synthesis of halogenated spirodihydrofurans.","Chemical communications (Cambridge, England)","2026","62","27","7145","7149","10.1039/d6cc00438e","","","0.71073","MoKα","","0.0478","0.0431","","","0.0993","0.1027","","","","","","1.128","","","","has coordinates","305743","2026-05-05","08:37:44",""
"7135627","23.0963","0.0005","9.7509","0.0002","26.7974","0.0006","90","","90","","90","","6035","0.2","193","","193","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C35 H27 F3 I N O3 -","- C35 H27 F3 I N O3 -","- C280 H216 F24 I8 N8 O24 -","8","1","","Xu, Peng-Cheng; Xu, Yin; Wang, Yu-Ting; Mao, Jia-Ling; Teng, Xu; Zhao, Yu-Yang; Zou, Xiao; Yan, Sheng-Hu; Jia, Zheng-Ren; Zuo, Hang-Dong","Copper-catalyzed spirocyclization-oxytrifluoromethylation of alkynyl-bicyclo[1.1.0]butanes for spirobutyl quinolone synthesis.","Chemical communications (Cambridge, England)","2026","62","27","7140","7144","10.1039/d6cc00749j","","x-ray","1.54178","CuKα","","0.0474","0.0413","","","0.1059","0.1094","","","","","","1.033","","","","has coordinates,has disorder","305746","2026-05-05","08:39:37",""
"7135628","9.1862","0.0004","22.9415","0.0007","7.2169","0.0002","90","","113.012","0.004","90","","1399.9","0.09","288","11","288","11","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H11 F3 N2 -","- C17 H11 F3 N2 -","- C68 H44 F12 N8 -","4","1","","Chen, Shu-Jie; Dong, Bao-Le; Li, You-Hong; Xu, Bo; Chen, Shu-Lian; Chen, Guo-Shu; Liu, Yun-Lin","Silver-catalyzed fragmentation of all-carbon quaternary centers from sp<sup>3</sup> to sp<sup>2</sup> carbon <i>via</i> C-C bond cleavage.","Chemical communications (Cambridge, England)","2026","62","27","7127","7131","10.1039/d6cc00885b","","x-ray","1.54184","CuKα","","0.079","0.0769","","","0.2039","0.2058","","","","","","1.065","","","","has coordinates,has disorder","305744","2026-05-05","08:37:52",""
"7135629","4.1372","0.0004","7.3511","0.0014","3.9417","0.0006","90","","90","","90","","119.88","0.03","293","2","293","2","","","50000000","","","","","2","P 21 21 21","P 2ac 2ab","19","","boron trioxide","","- B2 O3 -","- B2 O3 -","- B8 O12 -","4","1","","Spahr, Dominik; Sebastian, Sean S.; Brüning, Lukas; Jurzick, Pascal L.; Sharapova, Ninel; Bayarjargal, Lkhamsuren; Bykova, Elena; Bykov, Maxim; Milman, Victor; Winkler, Björn","High-pressure crystal structure and phase transitions in B<sub>2</sub>O<sub>3</sub>.","Chemical communications (Cambridge, England)","2026","62","25","6721","6725","10.1039/d6cc00368k","","x-ray","0.28457","synchrotron","","0.0418","0.037","","","0.0871","0.0903","","","","","","1.133","","","","has coordinates","305302","2026-04-05","11:41:56",""
"7135630","11.9922","0.0003","12.0664","0.0003","15.942","0.0004","84.135","0.001","81.916","0.001","73.481","0.001","2184.95","0.1","150.01","","150.02","","","","","","","","","6","P -1","-P 1","2","","","","- H50 K8 Na3 O100 Ru4 W18 -","- H50 K8 Na3 O100 Ru4 W18 -","- H50 K8 Na3 O100 Ru4 W18 -","1","0.5","","Xiong, Lijuan; Liu, Sen; Chen, Wenjing; Yang, Mengnan; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","Assembly of sandwich-type ruthenium-containing polyoxometalates for efficient construction of C-C bonds.","Chemical communications (Cambridge, England)","2026","62","28","7353","7356","10.1039/d6cc00285d","","","0.71073","MoKα","","0.0295","0.0274","","","0.0663","0.0675","","","","","","1.075","","","","has coordinates,has disorder","305739","2026-05-05","08:37:10",""
"7135631","15.9819","0.0004","16.1583","0.0003","22.8325","0.0005","75.341","0.001","70.595","0.001","65.844","0.001","5027.2","0.2","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C89 H134.5 K O7.25 Pb2 -","- C84 H122 K O6 Pb2 -","- C168 H244 K2 O12 Pb4 -","2","1","","Queen, Joshua D.; Power, Philip P.","Large shortening of the lead-lead bond in a diplumbyne upon its one-electron reduction.","Chemical communications (Cambridge, England)","2026","62","28","7404","7407","10.1039/d6cc00657d","","","1.54178","CuKα","","0.0713","0.0654","","","0.1985","0.2089","","","","","","1.069","","","","has coordinates,has disorder","305736","2026-05-05","08:36:54",""
"7135632","32.37","0.0004","11.45068","0.00013","20.3085","0.0003","90","","96.1372","0.0012","90","","7484.38","0.17","99.9","0.2","99.9","0.2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","GdCo5TFPBN","","- C55 H47 Co F36 Gd N4 O14 -","- C55 H47 Co F36 Gd N4 O14 -","- C220 H188 Co4 F144 Gd4 N16 O56 -","4","0.5","","Tsukii, Shota; Haga, Nagito; Takano, Rina; Ishida, Takayuki","Backbone-integrated triplet radicals in linear 2p-3d-4f heterometallic chains and magnetic hysteresis.","Chemical communications (Cambridge, England)","2026","62","28","7343","7347","10.1039/d6cc01045h","","x-ray","0.71073","MoKα","","0.0444","0.0321","","","0.0655","0.0693","","","","","","1.041","","","","has coordinates,has disorder","305742","2026-05-05","08:37:33",""
"7135633","32.1889","0.0009","11.7558","0.0004","20.7539","0.0008","90","","95.715","0.003","90","","7814.4","0.5","300","0.5","300","0.5","","","","","","","","7","C 1 2/c 1","-C 2yc","15","2TbCo","[Tb(hfac)3(5TFPBN)Co(hfac)2(5TFPBN)]n","","- C55 H47 Co F36 N4 O14 Tb -","- C55 H47 Co F36 N4 O14 Tb -","- C220 H188 Co4 F144 N16 O56 Tb4 -","4","0.5","","Tsukii, Shota; Haga, Nagito; Takano, Rina; Ishida, Takayuki","Backbone-integrated triplet radicals in linear 2p-3d-4f heterometallic chains and magnetic hysteresis.","Chemical communications (Cambridge, England)","2026","62","28","7343","7347","10.1039/d6cc01045h","","x-ray","0.71073","MoKα","","0.096","0.0501","","","0.1075","0.1228","","","","","","1.018","","","","has coordinates,has disorder","305742","2026-05-05","08:37:33",""
"7135634","32.3437","0.0006","11.4993","0.0002","20.4873","0.0004","90","","96.3402","0.0018","90","","7573.2","0.2","99.9","0.2","99.9","0.2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","TbMn5TFPBN","","- C55 H47 F36 Mn N4 O14 Tb -","- C55 H47 F36 Mn N4 O14 Tb -","- C220 H188 F144 Mn4 N16 O56 Tb4 -","4","0.5","","Tsukii, Shota; Haga, Nagito; Takano, Rina; Ishida, Takayuki","Backbone-integrated triplet radicals in linear 2p-3d-4f heterometallic chains and magnetic hysteresis.","Chemical communications (Cambridge, England)","2026","62","28","7343","7347","10.1039/d6cc01045h","","x-ray","0.71073","MoKα","","0.0718","0.0417","","","0.098","0.1118","","","","","","1.014","","","","has coordinates,has disorder","305742","2026-05-05","08:37:33",""
"7135635","32.3349","0.001","11.4206","0.0005","20.2951","0.0007","90","","96.103","0.003","90","","7452.2","0.5","99.9","0.2","99.9","0.2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","[Dy(hfac)3(5TFPBN)Co(hfac)2(5TFPBN)]n","3DyCo","","- C55 H47 Co Dy F36 N4 O14 -","- C55 H47 Co Dy F36 N4 O14 -","- C220 H188 Co4 Dy4 F144 N16 O56 -","4","0.5","","Tsukii, Shota; Haga, Nagito; Takano, Rina; Ishida, Takayuki","Backbone-integrated triplet radicals in linear 2p-3d-4f heterometallic chains and magnetic hysteresis.","Chemical communications (Cambridge, England)","2026","62","28","7343","7347","10.1039/d6cc01045h","","x-ray","0.71073","MoKα","","0.0666","0.0397","","","0.0853","0.0929","","","","","","1.049","","","","has coordinates,has disorder","305742","2026-05-05","08:37:33",""
"7135636","32.3702","0.0006","11.4328","0.0002","20.2986","0.0004","90","","96.161","0.002","90","","7468.8","0.2","100","0.14","100","0.14","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","TbCo5TFPBN","","- C55 H47 Co F36 N4 O14 Tb -","- C55 H47 Co F36 N4 O14 Tb -","- C220 H188 Co4 F144 N16 O56 Tb4 -","4","0.5","","Tsukii, Shota; Haga, Nagito; Takano, Rina; Ishida, Takayuki","Backbone-integrated triplet radicals in linear 2p-3d-4f heterometallic chains and magnetic hysteresis.","Chemical communications (Cambridge, England)","2026","62","28","7343","7347","10.1039/d6cc01045h","","x-ray","0.71073","MoKα","","0.0479","0.0338","","","0.066","0.0697","","","","","","1.066","","","","has coordinates,has disorder","305742","2026-05-05","08:37:33",""
"7135637","32.2917","0.0012","11.505","0.0006","20.5192","0.0011","90","","96.216","0.004","90","","7578.4","0.6","99.9","0.2","99.9","0.2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","GdMn5TFPBN","","- C55 H47 F36 Gd Mn N4 O14 -","- C55 H47 F36 Gd Mn N4 O14 -","- C220 H188 F144 Gd4 Mn4 N16 O56 -","4","0.5","","Tsukii, Shota; Haga, Nagito; Takano, Rina; Ishida, Takayuki","Backbone-integrated triplet radicals in linear 2p-3d-4f heterometallic chains and magnetic hysteresis.","Chemical communications (Cambridge, England)","2026","62","28","7343","7347","10.1039/d6cc01045h","","x-ray","0.71073","MoKα","","0.0934","0.0588","","","0.1479","0.1696","","","","","","1.052","","","","has coordinates,has disorder","305742","2026-05-05","08:37:33",""
"7135638","32.3557","0.0007","11.4326","0.0003","20.3954","0.0005","90","","96.403","0.002","90","","7497.4","0.3","99.9","0.2","99.9","0.2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","YMn5TFPBN","","- C55 H47 F36 Mn N4 O14 Y -","- C55 H47 F36 Mn N4 O14 Y -","- C220 H188 F144 Mn4 N16 O56 Y4 -","4","0.5","","Tsukii, Shota; Haga, Nagito; Takano, Rina; Ishida, Takayuki","Backbone-integrated triplet radicals in linear 2p-3d-4f heterometallic chains and magnetic hysteresis.","Chemical communications (Cambridge, England)","2026","62","28","7343","7347","10.1039/d6cc01045h","","x-ray","0.71073","MoKα","","0.0906","0.0475","","","0.1064","0.1207","","","","","","1.028","","","","has coordinates,has disorder","305742","2026-05-05","08:37:33",""
"7135639","9.61485","0.00013","16.6523","0.0002","16.064","0.0002","90","","94.6663","0.0012","90","","2563.47","0.06","296.06","0.1","296.06","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H35 O5 P -","- C24 H35 O5 P -","- C96 H140 O20 P4 -","4","1","","Sandha, Sabhya; Tripathi, Chandra Bhushan","H-bond-directed photocatalytic site-selective α-C-H functionalization of alcohols with <i>p</i>-quinone methides.","Chemical communications (Cambridge, England)","2026","62","28","7417","7420","10.1039/d6cc00863a","","x-ray","1.54184","CuKα","","0.0601","0.0512","","","0.1409","0.1462","","","","","","1.0456","","","","has coordinates","305741","2026-05-05","08:37:25",""
"7135640","10.589","0.003","14.436","0.004","21.145","0.007","90","","90","","90","","3232.3","1.7","120","","120","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(1S,2R,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl 1-((N-((Sa , S)-1-(benzyloxy)allyl)-4-methylphenyl)sulfonamido)-1H-indole-2-carboxylate","","- C36 H40 N2 O5 S -","- C36 H40 N2 O5 S -","- C144 H160 N8 O20 S4 -","4","1","","Lu, Xiao; Xu, Yongqiang; Li, Wenkai; Zhou, Yuhan; Qu, Jingping; Wang, Baomin","Pd-catalyzed enantio- and diastereoselective synthesis of N-N atropisomeric indoles <i>via N</i>-alkylation reaction.","Chemical communications (Cambridge, England)","2026","62","28","7385","7388","10.1039/d6cc00641h","","","0.71073","MoKα","","0.0524","0.0415","","","0.0946","0.1015","","","","","","1.042","","","","has coordinates","305738","2026-05-05","08:37:04",""
"7135641","10.9402","0.0007","8.5319","0.0005","11.4283","0.0007","90","","97.701","0.002","90","","1057.1","0.11","297","2","297","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C27 H21 N3 -","- C27 H21 N3 -","- C54 H42 N6 -","2","1","","Sahoo, Dipali Digangana; Pan, Subhas Chandra","Organocatalytic asymmetric [3+3] annulation reaction between 5-aminopyrazoles and enynones: synthesis of pyrazolo[3,4-<i>b</i>]pyridines.","Chemical communications (Cambridge, England)","2026","62","28","7369","7372","10.1039/d6cc01164k","","","0.71073","MoKα","","0.0737","0.044","","","0.0861","0.101","","","","","","1.112","","","","has coordinates","305740","2026-05-05","08:37:13",""
"7135642","5.2097","0.0002","11.8294","0.0005","56.908","0.002","90","","90","","90","","3507.1","0.2","193","","193","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Chiral E-homoallylic alcohol benzoate derivative","(1S,2R,E)-2-benzyl-1-phenylpent-3-en-1-yl 4-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)benzoate","","- C40 H35 N O4 -","- C40 H35 N O4 -","- C160 H140 N4 O16 -","4","1","","Zhang, Huangfeng; Zhang, Ai; Tang, Tao; Jin, Tao; Wang, Chengzhi; Qin, Yao; Ma, Xiaoyan; Tang, Jinghua; Liu, Jinyu; Ge, Yicen","Cu-guanidine-catalysed asymmetric protoboration of internal 1,3-dienes for one-pot access to chiral homoallylic alcohols.","Chemical communications (Cambridge, England)","2026","62","26","6978","6982","10.1039/d6cc00843g","","","1.54178","CuKα","","0.0436","0.0386","","","0.0974","0.1015","","","","","","1.068","","","","has coordinates","305293","2026-04-05","11:38:08",""
"7135643","7.715","0.0003","19.7499","0.0009","18.9664","0.0009","90","","93.695","0.002","90","","2883.9","0.2","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1","","- C14 H33 B21 Br N O2 -","- C14 H33 B21 Br N O2 -","- C56 H132 B84 Br4 N4 O8 -","4","1","","Vashisth, Kanika; Martin, Caleb D.","1,4-Bromoboration of nitroalkenes.","Chemical communications (Cambridge, England)","2026","62","27","7189","7193","10.1039/d6cc01239f","","","0.71073","MoKα","","0.0621","0.0513","","","0.1209","0.1268","","","","","","1.081","","","","has coordinates,has disorder","306251","2026-06-05","18:16:11",""
"7135644","21.6873","0.0008","14.7154","0.0003","21.3677","0.0007","90","","118.883","0.005","90","","5971","0.4","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","3","","- C15 H35 B21 Br N O3 -","- C15 H35 B21 Br N O3 -","- C120 H280 B168 Br8 N8 O24 -","8","2","","Vashisth, Kanika; Martin, Caleb D.","1,4-Bromoboration of nitroalkenes.","Chemical communications (Cambridge, England)","2026","62","27","7189","7193","10.1039/d6cc01239f","","x-ray","1.54184","CuKα","","0.089","0.0781","","","0.2355","0.242","","","","","","1.075","","","","has coordinates,has disorder","306251","2026-06-05","18:16:11",""
"7135645","7.6297","0.0005","19.8101","0.0014","19.2092","0.0012","90","","93.67","0.002","90","","2897.4","0.3","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","2","","- C14 H32 B21 Br F N O2 -","- C14 H32 B21 Br F N O2 -","- C56 H128 B84 Br4 F4 N4 O8 -","4","1","","Vashisth, Kanika; Martin, Caleb D.","1,4-Bromoboration of nitroalkenes.","Chemical communications (Cambridge, England)","2026","62","27","7189","7193","10.1039/d6cc01239f","","","0.71073","MoKα","","0.05","0.0425","","","0.1052","0.1103","","","","","","1.062","","","","has coordinates","306251","2026-06-05","18:16:11",""
"7135646","8.0726","0.0009","11.5152","0.0013","13.8359","0.0016","77.165","0.005","86.376","0.004","71.324","0.004","1187.9","0.2","150","2","150","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H10 Cl8 N -","- C24 H10 Cl8 N -","- C48 H20 Cl16 N2 -","2","1","","Li, Jingwen; Zhang, Ziqi; Li, Zenghui; Wang, Jing; Xu, Changyuan; Xiong, Jie; Yue, Ling; Rao, Bin","D˙-A radicals fabricated from polychlorinated trityl and pyridinium featuring a SOMO-LUMO electronic transition.","Chemical communications (Cambridge, England)","2026","62","29","7558","7562","10.1039/d6cc00928j","","","1.54178","CuKα","","0.0283","0.0264","","","0.0679","0.0692","","","","","","1.0337","","","","has coordinates","305731","2026-05-05","08:36:18",""
"7135647","8.1074","0.0003","16.106","0.0007","24.0635","0.001","80.449","0.002","87.704","0.002","84.824","0.002","3085","0.2","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C52 H28 Cl16 F6 N2 O7 S2 -","- C52 H28 Cl16 F6 N2 O7 S2 -","- C104 H56 Cl32 F12 N4 O14 S4 -","2","1","","Li, Jingwen; Zhang, Ziqi; Li, Zenghui; Wang, Jing; Xu, Changyuan; Xiong, Jie; Yue, Ling; Rao, Bin","D˙-A radicals fabricated from polychlorinated trityl and pyridinium featuring a SOMO-LUMO electronic transition.","Chemical communications (Cambridge, England)","2026","62","29","7558","7562","10.1039/d6cc00928j","","","1.54178","CuKα","","0.1041","0.0915","","","0.2283","0.2362","","","","","","1.108","","","","has coordinates,has disorder","305731","2026-05-05","08:36:18",""
"7135648","12.3163","0.0004","13.5475","0.0004","15.9782","0.0005","90","","101.319","0.002","90","","2614.19","0.14","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H12 Cl8 N -","- C28 H12 Cl8 N -","- C112 H48 Cl32 N4 -","4","1","","Li, Jingwen; Zhang, Ziqi; Li, Zenghui; Wang, Jing; Xu, Changyuan; Xiong, Jie; Yue, Ling; Rao, Bin","D˙-A radicals fabricated from polychlorinated trityl and pyridinium featuring a SOMO-LUMO electronic transition.","Chemical communications (Cambridge, England)","2026","62","29","7558","7562","10.1039/d6cc00928j","","","1.54178","CuKα","","0.0648","0.0482","","","0.1124","0.1195","","","","","","1.08","","","","has coordinates","305731","2026-05-05","08:36:18",""
"7135649","8.2874","0.0004","8.3231","0.0004","28.0291","0.0014","92.261","0.003","96.458","0.003","96.987","0.003","1904.06","0.16","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C35 H19 Cl10 F3 N O3 S -","- C35 H19 Cl10 F3 N O3 S -","- C70 H38 Cl20 F6 N2 O6 S2 -","2","1","","Li, Jingwen; Zhang, Ziqi; Li, Zenghui; Wang, Jing; Xu, Changyuan; Xiong, Jie; Yue, Ling; Rao, Bin","D˙-A radicals fabricated from polychlorinated trityl and pyridinium featuring a SOMO-LUMO electronic transition.","Chemical communications (Cambridge, England)","2026","62","29","7558","7562","10.1039/d6cc00928j","","","1.54178","CuKα","","0.1393","0.1079","","","0.2717","0.2901","","","","","","1.051","","","","has coordinates","305731","2026-05-05","08:36:18",""
"7135650","13.2855","0.001","16.1469","0.001","10.9297","0.0009","90","","112.099","0.002","90","","2172.4","0.3","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H21 N Se -","- C29 H21 N Se -","- C116 H84 N4 Se4 -","4","1","","Shree V, Divya; Satyanarayana, Gedu","Electrochemical synthesis of 5-selenylbenzo[<i>a</i>]carbazoles <i>via</i> cascade cyclization of indoles with diselenides.","Chemical communications (Cambridge, England)","2026","62","30","7852","7856","10.1039/d6cc00594b","","","0.71073","MoKα","","0.0483","0.0365","","","0.0926","0.0998","","","","","","1.031","","","","has coordinates","305753","2026-05-05","08:44:54",""
"7135651","24.988","0.003","6.5629","0.0007","16.5307","0.0017","90","","122.402","0.003","90","","2288.9","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H30 B2 F4 N6 -","- C22 H30 B2 F4 N6 -","- C88 H120 B8 F16 N24 -","4","0.5","","Calderón-Díaz, Alvaro; Dutta, Sanjay; Kruczyński, Tomasz; McMillen, Colin D.; Ashokan, Ajith; Salman, Seyhan; Stollenz, Michael","Ethylene-bridged bis(borylamidinates) as near-UV fluorescent emitters with narrow emission bands.","Chemical communications (Cambridge, England)","2026","","","","","10.1039/d6cc00451b","","","0.71073","MoKα","","0.0487","0.0386","","","0.085","0.0955","","","","","","1.158","","","","has coordinates","305154","2026-03-20","22:55:49",""
"7135652","6.9879","0.0004","16.309","0.0012","21.8166","0.0014","90","","90","","90","","2486.3","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H34 B2 F4 N6 -","- C24 H34 B2 F4 N6 -","- C96 H136 B8 F16 N24 -","4","0.5","","Calderón-Díaz, Alvaro; Dutta, Sanjay; Kruczyński, Tomasz; McMillen, Colin D.; Ashokan, Ajith; Salman, Seyhan; Stollenz, Michael","Ethylene-bridged bis(borylamidinates) as near-UV fluorescent emitters with narrow emission bands.","Chemical communications (Cambridge, England)","2026","","","","","10.1039/d6cc00451b","","","0.71073","MoKα","","0.048","0.0392","","","0.0839","0.0883","","","","","","1.076","","","","has coordinates","305154","2026-03-20","22:55:49",""
"7135653","9.518","0.0007","9.9642","0.0007","13.3563","0.001","90","","99.837","0.003","90","","1248.08","0.16","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H34 B2 F4 N6 -","- C24 H34 B2 F4 N6 -","- C48 H68 B4 F8 N12 -","2","0.5","","Calderón-Díaz, Alvaro; Dutta, Sanjay; Kruczyński, Tomasz; McMillen, Colin D.; Ashokan, Ajith; Salman, Seyhan; Stollenz, Michael","Ethylene-bridged bis(borylamidinates) as near-UV fluorescent emitters with narrow emission bands.","Chemical communications (Cambridge, England)","2026","","","","","10.1039/d6cc00451b","","","0.71073","MoKα","","0.0381","0.0347","","","0.0979","0.1022","","","","","","1.123","","","","has coordinates","305154","2026-03-20","22:55:49",""
"7135654","8.23","0.0007","8.6335","0.0007","10.4627","0.0008","107.216","0.003","105.836","0.003","93.887","0.003","674.17","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H38 B2 F4 N6 -","- C26 H38 B2 F4 N6 -","- C26 H38 B2 F4 N6 -","1","0.5","","Calderón-Díaz, Alvaro; Dutta, Sanjay; Kruczyński, Tomasz; McMillen, Colin D.; Ashokan, Ajith; Salman, Seyhan; Stollenz, Michael","Ethylene-bridged bis(borylamidinates) as near-UV fluorescent emitters with narrow emission bands.","Chemical communications (Cambridge, England)","2026","","","","","10.1039/d6cc00451b","","","0.71073","MoKα","","0.0421","0.0359","","","0.0896","0.0975","","","","","","1.086","","","","has coordinates","305154","2026-03-20","22:55:49",""
"7135655","6.6789","0.0002","11.1715","0.0005","12.6773","0.0005","84.693","0.003","75.054","0.003","79.844","0.003","898.48","0.06","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H16 Br Cl O3 -","- C22 H16 Br Cl O3 -","- C44 H32 Br2 Cl2 O6 -","2","1","","Yeung, Serena; Allen, Emily G.; Jones, Kieran D.; Argent, Stephen P.; Lam, Hon Wai","Concise synthesis of triasteranones from barbaralones.","Chemical communications (Cambridge, England)","2026","62","28","7348","7352","10.1039/d6cc00474a","","x-ray","1.54184","CuKα","","0.0201","0.019","","","0.0454","0.0461","","","","","","1.035","","","","has coordinates","305737","2026-05-05","08:37:00",""
"7135656","6.4214","0.0001","10.2233","0.0002","8.6908","0.0002","90","","103.113","0.002","90","","555.656","0.019","120","0.3","120","0.3","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H10 O3 -","- C15 H10 O3 -","- C30 H20 O6 -","2","1","","Yeung, Serena; Allen, Emily G.; Jones, Kieran D.; Argent, Stephen P.; Lam, Hon Wai","Concise synthesis of triasteranones from barbaralones.","Chemical communications (Cambridge, England)","2026","62","28","7348","7352","10.1039/d6cc00474a","","","1.54184","CuKα","","0.0277","0.027","","","0.0708","0.0714","","","","","","1.043","","","","has coordinates","305737","2026-05-05","08:37:00",""
"7135657","6.1522","0.0001","19.1069","0.0003","12.9283","0.0002","90","","96.107","0.001","90","","1511.09","0.04","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 Cl2 O3 -","- C16 H16 Cl2 O3 -","- C64 H64 Cl8 O12 -","4","1","","Yeung, Serena; Allen, Emily G.; Jones, Kieran D.; Argent, Stephen P.; Lam, Hon Wai","Concise synthesis of triasteranones from barbaralones.","Chemical communications (Cambridge, England)","2026","62","28","7348","7352","10.1039/d6cc00474a","","x-ray","1.54184","CuKα","","0.0391","0.0367","","","0.0902","0.092","","","","","","1.047","","","","has coordinates,has disorder","305737","2026-05-05","08:37:00",""
"7135658","9.7052","0.0001","6.4534","0.0001","21.6445","0.0002","90","","96.969","0.001","90","","1345.61","0.03","120","2","120","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H14 O3 -","- C17 H14 O3 -","- C68 H56 O12 -","4","2","","Yeung, Serena; Allen, Emily G.; Jones, Kieran D.; Argent, Stephen P.; Lam, Hon Wai","Concise synthesis of triasteranones from barbaralones.","Chemical communications (Cambridge, England)","2026","62","28","7348","7352","10.1039/d6cc00474a","","x-ray","1.54184","CuKα","","0.0257","0.0249","","","0.0628","0.0635","","","","","","1.044","","","","has coordinates","305737","2026-05-05","08:37:00",""
"7135659","14.6081","0.0008","13.0496","0.0006","6.722","0.0003","90","","100.104","0.005","90","","1261.54","0.11","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H6 Br2 O3 S -","- C13 H6 Br2 O3 S -","- C52 H24 Br8 O12 S4 -","4","1","","Yeung, Serena; Allen, Emily G.; Jones, Kieran D.; Argent, Stephen P.; Lam, Hon Wai","Concise synthesis of triasteranones from barbaralones.","Chemical communications (Cambridge, England)","2026","62","28","7348","7352","10.1039/d6cc00474a","","x-ray","1.54184","CuKα","","0.0564","0.0494","","","0.1262","0.132","","","","","","1.0515","","","","has coordinates","305737","2026-05-05","08:37:00",""
"7135660","8.42816","0.00005","11.09278","0.00009","22.92566","0.00015","90","","90","","90","","2143.36","0.03","293.5","0.5","293.5","0.5","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H26 N2 O -","- C26 H26 N2 O -","- C104 H104 N8 O4 -","4","1","","Wu, Yunru; Pan, Bendu; Jiang, Long; Cao, Rihui; Qiu, Liqin","Iridium-catalyzed intramolecular asymmetric allylic amination of anthranilic acid derivatives: enantioselective construction of chiral benzodiazepinones.","Chemical communications (Cambridge, England)","2026","62","30","7857","7860","10.1039/d6cc00993j","","x-ray","1.54184","CuKα","","0.038","0.037","","","0.1013","0.1028","","","","","","1.017","","","","has coordinates","306273","2026-06-05","18:21:27",""
"7135661","44.302","0.009","25.367","0.004","19.725","0.003","90","","94.821","0.006","90","","22089","7","150","","150","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- As4 Ce8 Na3 O164 W36 -","- As4 Ce8 Na3 O164 W36 -","- As16 Ce32 Na12 O656 W144 -","4","0.5","","Wang, Haozhe; Wu, Jun; Liu, Haoqi; Huang, Xiaochao; Liu, Yufeng; Yang, Guoping","One-dimensional mixed-valence Ce(III)/Ce(IV)-containing arsenotungstate for photocatalytic synthesis of quinazolines.","Chemical communications (Cambridge, England)","2026","62","30","7830","7834","10.1039/d6cc00970k","","","0.71073","MoKα","","0.0724","0.0541","","","0.1444","0.1569","","","","","","1.047","","","","has coordinates,has disorder","305754","2026-05-05","08:45:03",""
"7135662","10.835","0.008","6.108","0.005","22.159","0.003","90","","101.367","0.009","90","","1437.7","1.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 B Br2 N2 -","- C13 H11 B Br2 N2 -","- C52 H44 B4 Br8 N8 -","4","1","","Wüst, Leonie; Wellnitz, Tim; Radacki, Krzysztof; Nees, Samuel; Braunschweig, Holger","Attempted halogenation of ambiphilic 1,2,3-benzodiazaborines: balancing Lewis acidity and Lewis basicity.","Chemical communications (Cambridge, England)","2026","62","31","7984","7988","10.1039/d6cc01072e","","x-ray","1.54184","CuKα","K-L~2,3~","0.0515","0.0388","","","0.1055","0.112","","","","","","1.026","","","","has coordinates","305756","2026-05-05","08:45:30",""
"7135663","13.4361","0.0007","15.706","0.01","16.2368","0.0009","90","","95.103","0.009","90","","3413","2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H26 B4 Br4 N4 O -","- C33 H26 B4 Br4 N4 O -","- C132 H104 B16 Br16 N16 O4 -","4","1","","Wüst, Leonie; Wellnitz, Tim; Radacki, Krzysztof; Nees, Samuel; Braunschweig, Holger","Attempted halogenation of ambiphilic 1,2,3-benzodiazaborines: balancing Lewis acidity and Lewis basicity.","Chemical communications (Cambridge, England)","2026","62","31","7984","7988","10.1039/d6cc01072e","","x-ray","1.54184","CuKα","K-L~2,3~","0.038","0.0329","","","0.0805","0.0829","","","","","","1.026","","","","has coordinates,has disorder","305756","2026-05-05","08:45:30",""
"7135664","12.802","0.0001","13.9392","0.0001","21.7038","0.0001","90","","90.014","0.001","90","","3873.04","0.04","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C93 H80 B4 Cl4 N12 -","- C93 H80 B4 Cl4 N12 -","- C186 H160 B8 Cl8 N24 -","2","0.5","","Wüst, Leonie; Wellnitz, Tim; Radacki, Krzysztof; Nees, Samuel; Braunschweig, Holger","Attempted halogenation of ambiphilic 1,2,3-benzodiazaborines: balancing Lewis acidity and Lewis basicity.","Chemical communications (Cambridge, England)","2026","62","31","7984","7988","10.1039/d6cc01072e","","x-ray","1.54184","CuKα","K-L~2,3~","0.062","0.0613","","","0.1447","0.1451","","","","","","1.091","","","","has coordinates,has disorder","305756","2026-05-05","08:45:30",""
"7135665","25.1025","0.0005","7.0534","0.0002","35.765","0.001","90","","90.423","0.003","90","","6332.3","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27 H20 B4 Br6 Cl2 N4 -","- C27 H20 B4 Br6 Cl2 N4 -","- C216 H160 B32 Br48 Cl16 N32 -","8","1","","Wüst, Leonie; Wellnitz, Tim; Radacki, Krzysztof; Nees, Samuel; Braunschweig, Holger","Attempted halogenation of ambiphilic 1,2,3-benzodiazaborines: balancing Lewis acidity and Lewis basicity.","Chemical communications (Cambridge, England)","2026","62","31","7984","7988","10.1039/d6cc01072e","","x-ray","1.54184","CuKα","K-L~2,3~","0.078","0.0638","","","0.1761","0.1883","","","","","","1.066","","","","has coordinates","305756","2026-05-05","08:45:30",""
"7135666","11.6844","0.0009","11.7017","0.0017","11.9578","0.0009","90","","105.719","0.006","90","","1573.8","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 B Cl N3 -","- C18 H15 B Cl N3 -","- C72 H60 B4 Cl4 N12 -","4","1","","Wüst, Leonie; Wellnitz, Tim; Radacki, Krzysztof; Nees, Samuel; Braunschweig, Holger","Attempted halogenation of ambiphilic 1,2,3-benzodiazaborines: balancing Lewis acidity and Lewis basicity.","Chemical communications (Cambridge, England)","2026","62","31","7984","7988","10.1039/d6cc01072e","","x-ray","1.54184","CuKα","K-L~2,3~","0.0293","0.0289","","","0.0758","0.0761","","","","","","1.046","","","","has coordinates,has disorder","305756","2026-05-05","08:45:30",""
"7135667","9.608","0.0001","6.844","0.0001","17.5242","0.0002","90","","95.153","0.001","90","","1147.68","0.02","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 B Cl N2 -","- C13 H10 B Cl N2 -","- C52 H40 B4 Cl4 N8 -","4","1","","Wüst, Leonie; Wellnitz, Tim; Radacki, Krzysztof; Nees, Samuel; Braunschweig, Holger","Attempted halogenation of ambiphilic 1,2,3-benzodiazaborines: balancing Lewis acidity and Lewis basicity.","Chemical communications (Cambridge, England)","2026","62","31","7984","7988","10.1039/d6cc01072e","","x-ray","1.54184","CuKα","K-L~2,3~","0.0267","0.0264","","","0.0813","0.0816","","","","","","1.093","","","","has coordinates","305756","2026-05-05","08:45:30",""
"7135668","19.169","0.003","17.046","0.002","13.646","0.002","90","","95.11","0.01","90","","4441.2","1.1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H21 B Cl N4 -","- C26 H21 B Cl N4 -","- C208 H168 B8 Cl8 N32 -","8","1","","Wüst, Leonie; Wellnitz, Tim; Radacki, Krzysztof; Nees, Samuel; Braunschweig, Holger","Attempted halogenation of ambiphilic 1,2,3-benzodiazaborines: balancing Lewis acidity and Lewis basicity.","Chemical communications (Cambridge, England)","2026","62","31","7984","7988","10.1039/d6cc01072e","","x-ray","1.54184","CuKα","K-L~2,3~","0.0587","0.0542","","","0.155","0.1587","","","","","","1.055","","","","has coordinates,has disorder","305756","2026-05-05","08:45:30",""
"7135669","30.6017","0.0009","13.4372","0.0004","27.647","0.0008","90","","90","","90","","11368.5","0.6","100","","100","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C174 H192 N6 O6 -","- C174 H192 N6 O6 -","- C348 H384 N12 O12 -","2","0.5","","Yu, Qi; Zhao, Jinghan; Xiao, Zuo; Wang, Yu; Jin, Ke; Huang, Kaige; Zuo, Chuantian; Zhu, Lingyun; Du, Wenna; Yue, Shizhong; Wang, Zhijie; Liu, Xinfeng; Ding, Liming","Chiral carbon nanorings with strong chiral luminescence and second-harmonic generation properties.","Chemical communications (Cambridge, England)","2026","62","31","8003","8007","10.1039/d6cc00720a","","","1.34139","GaKα","","0.1337","0.1037","","","0.2638","0.2794","","","","","","1.093","","","","has coordinates","305758","2026-05-05","08:46:22",""
"7135670","29.2518","0.0013","14.1018","0.0006","26.954","0.0012","90","","90","","90","","11118.6","0.8","170","","170","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C174 H192 N6 O6 -","- C174 H192 N6 O6 -","- C348 H384 N12 O12 -","2","0.5","","Yu, Qi; Zhao, Jinghan; Xiao, Zuo; Wang, Yu; Jin, Ke; Huang, Kaige; Zuo, Chuantian; Zhu, Lingyun; Du, Wenna; Yue, Shizhong; Wang, Zhijie; Liu, Xinfeng; Ding, Liming","Chiral carbon nanorings with strong chiral luminescence and second-harmonic generation properties.","Chemical communications (Cambridge, England)","2026","62","31","8003","8007","10.1039/d6cc00720a","","","1.34139","GaKα","","0.0704","0.0659","","","0.1896","0.196","","","","","","1.045","","","","has coordinates,has disorder","305758","2026-05-05","08:46:22",""
"7135671","10.5084","0.0005","10.5605","0.0005","12.1716","0.0005","86.745","0.002","73.742","0.002","62.89","0.001","1150.28","0.09","100","2","99.99","","","","","","","","","6","P -1","-P 1","2","","","","- C54 H38 Cu2 F4 N2 O8 -","- C54 H38 Cu2 F4 N2 O8 -","- C54 H38 Cu2 F4 N2 O8 -","1","0.5","","Bolla, Geetha; Medishetty, Raghavender","Solvent- and heat-induced polymorphic transformation with single-crystal integrity in Cu(II) paddle wheel metal complexes.","Chemical communications (Cambridge, England)","2026","62","24","6531","6535","10.1039/d6cc00385k","","","0.71073","MoKα","","0.0337","0.0298","","","0.0765","0.0798","","","","","","1.039","","","","has coordinates","305188","2026-03-26","23:06:44",""
"7135672","10.5158","0.0003","10.563","0.0003","12.1746","0.0003","86.785","0.001","73.755","0.001","62.883","0.001","1151.58","0.06","100","2","99.99","","","","","","","","","6","P -1","-P 1","2","","","","- C54 H38 Cu2 F4 N2 O8 -","- C54 H38 Cu2 F4 N2 O8 -","- C54 H38 Cu2 F4 N2 O8 -","1","0.5","","Bolla, Geetha; Medishetty, Raghavender","Solvent- and heat-induced polymorphic transformation with single-crystal integrity in Cu(II) paddle wheel metal complexes.","Chemical communications (Cambridge, England)","2026","62","24","6531","6535","10.1039/d6cc00385k","","","0.71073","MoKα","","0.0435","0.0355","","","0.071","0.075","","","","","","1.071","","","","has coordinates","305188","2026-03-26","23:06:44",""
"7135673","9.756","0.0003","9.7788","0.0003","14.3088","0.0004","77.562","0.001","71.656","0.001","64.991","0.001","1168.84","0.06","100","2","99.98","","","","","","","","","6","P -1","-P 1","2","","","","- C54 H36 Cu2 F4 N2 O8 -","- C54 H36 Cu2 F4 N2 O8 -","- C54 H36 Cu2 F4 N2 O8 -","1","0.5","","Bolla, Geetha; Medishetty, Raghavender","Solvent- and heat-induced polymorphic transformation with single-crystal integrity in Cu(II) paddle wheel metal complexes.","Chemical communications (Cambridge, England)","2026","62","24","6531","6535","10.1039/d6cc00385k","","","0.71073","MoKα","","0.0507","0.0458","","","0.1182","0.123","","","","","","1.037","","","","has coordinates","305188","2026-03-26","23:06:44",""
"7135674","10.1882","0.0004","16.7531","0.0008","16.8987","0.0008","60.751","0.002","72.72","0.002","74.193","0.002","2374.81","0.19","100","2","99.98","","","","","","","","","6","P -1","-P 1","2","","","","- C54 H38 Cu2 F4 N2 O8 -","- C54 H38 Cu2 F4 N2 O8 -","- C108 H76 Cu4 F8 N4 O16 -","2","1","","Bolla, Geetha; Medishetty, Raghavender","Solvent- and heat-induced polymorphic transformation with single-crystal integrity in Cu(II) paddle wheel metal complexes.","Chemical communications (Cambridge, England)","2026","62","24","6531","6535","10.1039/d6cc00385k","","","0.71073","MoKα","","0.0716","0.0446","","","0.1198","0.1456","","","","","","1.129","","","","has coordinates","305188","2026-03-26","23:06:44",""
"7135675","10.0112","0.0011","10.5172","0.0011","25.318","0.003","91.844","0.004","90.112","0.004","117.653","0.004","2359.6","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H38 Cu2 F4 N2 O8 -","- C54 H38 Cu2 F4 N2 O8 -","- C108 H76 Cu4 F8 N4 O16 -","2","1","","Bolla, Geetha; Medishetty, Raghavender","Solvent- and heat-induced polymorphic transformation with single-crystal integrity in Cu(II) paddle wheel metal complexes.","Chemical communications (Cambridge, England)","2026","62","24","6531","6535","10.1039/d6cc00385k","","","0.71073","MoKα","","0.0766","0.0493","","","0.1174","0.1295","","","","","","1.04","","","","has coordinates","305188","2026-03-26","23:06:44",""
"7135676","12.0627","0.0006","14.3169","0.0007","12.8459","0.0007","90","","92.479","0.004","90","","2216.4","0.2","168","20","168","20","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H24 Br N O2 S -","- C25 H24 Br N O2 S -","- C100 H96 Br4 N4 O8 S4 -","4","1","","Nidhi, ?; Muskan, ?; Panda, Debanik; Verma, Akhilesh K.","Unveiling a PhSeSePh/I<sub>2</sub>-mediated radical cyclisation of 2-alkynyl-<i>N</i>-alkyl-<i>N</i>-tosylanilines: access to 3-sulfonyl indoles <i>via</i> 1,3 tosyl-relocation.","Chemical communications (Cambridge, England)","2026","62","31","7957","7960","10.1039/d6cc00419a","","x-ray","0.71073","MoKα","","0.0969","0.0636","","","0.1664","0.1812","","","","","","1.106","","","","has coordinates","306275","2026-06-05","18:21:39",""
"7135677","8.8611","0.0003","10.5198","0.0004","15.0198","0.0005","90","","103.077","0.001","90","","1363.79","0.08","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H34 N6 O8 S2 -","- C22 H34 N6 O8 S2 -","- C44 H68 N12 O16 S4 -","2","1","","Mohammed, Farhad Ali; Tong, Hua; Hawes, Chris S.; Bhattacharya, Shayon; Thompson, Damien; Jolliffe, Katrina A.; Elmes, Robert B. P.","Squaratides: a tunable platform for anion binding in peptide-inspired macrocycles.","Chemical communications (Cambridge, England)","2026","62","33","8417","8421","10.1039/d6cc00836d","","","0.71073","MoKα","","0.0255","0.0246","","","0.0658","0.0664","","","","","","1.047","","","","has coordinates","305766","2026-05-05","08:47:45",""
"7135678","11.0033","0.0001","15.1766","0.0001","12.3303","0.0001","90","","107.103","0.001","90","","1968.01","0.03","123","0.1","123","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H25 Fe P5 -","- C14 H25 Fe P5 -","- C56 H100 Fe4 P20 -","4","1","","Koschabek, Sarah; Elsayed Moussa, Mehdi; Riesinger, Christoph; Balázs, Gábor; Scheer, Manfred","A route to asymmetrically substituted secondary phosphines.","Chemical communications (Cambridge, England)","2026","62","31","7979","7983","10.1039/d6cc01138a","","x-ray","1.54184","CuKα","","0.0496","0.0476","","","0.1273","0.1306","","","","","","1.02","","","","has coordinates","306276","2026-06-05","18:21:42",""
"7135679","48.046","0.002","48.046","0.002","9.8834","0.0009","90","","90","","120","","19758","2","150","2","150","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C40 H46 S4 Si4 -","- C40 H46 S4 Si4 -","- C720 H828 S72 Si72 -","18","1","","Peng, Longyu; Xu, Wan; Xu, Yimin; Ma, Zhiying; Xu, Li; Wang, Hua","Construction of thiophene-based double helices with through-space conjugation for luminescence enhancement.","Chemical communications (Cambridge, England)","2026","62","32","8207","8211","10.1039/d6cc00889e","","","0.71073","MoKα","","0.1097","0.0516","","","0.0954","0.1174","","","","","","1.009","","","","has coordinates","305747","2026-05-05","08:40:43",""
"7135680","11.773","0.0004","13.0922","0.0005","16.6122","0.0006","90","","90","","90","","2560.51","0.16","170","","170","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H28 N2 O4 -","- C31 H28 N2 O4 -","- C124 H112 N8 O16 -","4","1","","Deng, Zhengguo; Xie, Yan; Xiong, Chao; Lv, Jiayang; Chen, Xinyu; Yao, Jinzhong; Zhong, Weihui; Ling, Fei","Silver-catalysed asymmetric [3+2] cycloaddition for the construction of 5-5-membered 1,3'-indolyl pyrrole atropisomers.","Chemical communications (Cambridge, England)","2026","62","33","8471","8475","10.1039/d6cc00517a","","x-ray","1.34139","GaKα","","0.0363","0.0353","","","0.0871","0.0877","","","","","","1.085","","","","has coordinates","305729","2026-05-05","08:34:21",""
"7135681","19.9437","0.001","32.6613","0.0017","27.5799","0.0014","90","","130.259","0.002","90","","13709.8","1.3","150","2","150","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","","","- C76 H69 N O2 Pt -","- C76 H69 N O2 Pt -","- C608 H552 N8 O16 Pt8 -","8","1","","Cui, Wenying; Zhou, Huimin; Roisnel, Thierry; Vanthuyne, Nicolas; Shen, Chengshuo; Grzybowski, Joachim; Williams, J. A. Gareth; Srebro-Hooper, Monika; Gisbert, Yohan; Crassous, Jeanne","Merging platinahelicene and nanographene: a strategy for circularly polarized phosphorescence in the near-infrared (NIR).","Chemical communications (Cambridge, England)","2026","62","31","8027","8031","10.1039/d6cc00576d","","x-ray","0.71073","MoKα","","0.0467","0.0318","","","0.0832","0.0915","","","","","","0.96","","","","has coordinates,has disorder","305757","2026-05-05","08:45:46",""
"7135682","5.4675","0.0013","13.06","0.003","23.252","0.006","90","","95.515","0.004","90","","1652.6","0.7","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H18 N2 O2 -","- C21 H18 N2 O2 -","- C84 H72 N8 O8 -","4","1","","Mondal, Sudeshna; Behura, Prabhudatta; Baidya, Mahiuddin","Free-amine-directed Ru(II)-catalyzed <i>peri</i>-selective C-H activation and annulation <i>via</i> ring-strain release.","Chemical communications (Cambridge, England)","2026","62","36","9180","9183","10.1039/d6cc01272h","","","0.71073","MoKα","","0.1033","0.0517","","","0.1246","0.1515","","","","","","1.02","","","","has coordinates","306279","2026-06-05","18:22:15",""
"7135683","8.8979","0.0004","9.689","0.0005","10.6306","0.0005","97.87","0.002","91.598","0.002","111.305","0.002","842.81","0.07","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H19.54 N O -","- C22 H19.54 N O -","- C44 H39.08 N2 O2 -","2","1","","Mondal, Sudeshna; Behura, Prabhudatta; Baidya, Mahiuddin","Free-amine-directed Ru(II)-catalyzed <i>peri</i>-selective C-H activation and annulation <i>via</i> ring-strain release.","Chemical communications (Cambridge, England)","2026","62","36","9180","9183","10.1039/d6cc01272h","","","0.71073","MoKα","","0.0708","0.0523","","","0.138","0.1538","","","","","","1.038","","","","has coordinates,has disorder","306279","2026-06-05","18:22:15",""
"7135684","9.2302","0.0003","25.9843","0.0008","10.4917","0.0003","90","","90","","90","","2516.33","0.13","169.99","0.1","169.99","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H26 N2 O6 S2 -","- C26 H26 N2 O6 S2 -","- C104 H104 N8 O24 S8 -","4","1","","Hu, Xianfei; Qu, Xiaoxiao; Li, Zhiyue; Wang, Lishuang; Yao, Hui; Li, Linxuan; Cao, Zhong-Yan; Huang, Nianyu; Wang, Nengzhong","Phosphine-catalyzed sequential [4+1]/[2+3] annulation of <i>o</i>-amino arylaldimines with Morita-Baylis-Hillman (MBH) carbonates.","Chemical communications (Cambridge, England)","2026","62","31","8013","8017","10.1039/d6cc00562d","","x-ray","1.54184","CuKα","","0.0693","0.0648","","","0.1683","0.1732","","","","","","1.066","","","","has coordinates","305760","2026-05-05","08:46:37",""
"7135685","7.60011","0.00017","7.9229","0.0002","10.8059","0.0003","94.417","0.002","100.472","0.002","112.224","0.002","584.66","0.03","223","","223","","","","","","","","","4","P -1","-P 1","2","","","","- C14 H8 N2 S2 -","- C14 H8 N2 S2 -","- C28 H16 N4 S4 -","2","1","","Furukawa, Haruto; Tachikawa, Takashi; Ito, Suguru","Doping-activated thermal polymorphic transition of luminescent organic crystals.","Chemical communications (Cambridge, England)","2026","62","31","8008","8012","10.1039/d6cc00603e","","","1.54184","CuKα","","0.0469","0.0363","","","0.1028","0.1039","","","","","","1.08","","","","has coordinates","306274","2026-06-05","18:21:36",""
"7135686","3.85482","0.00007","18.2823","0.0003","24.0431","0.0005","90","","90","","90","","1694.44","0.05","123","","123","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H12 N2 S3 -","- C22 H12 N2 S3 -","- C88 H48 N8 S12 -","4","1","","Furukawa, Haruto; Tachikawa, Takashi; Ito, Suguru","Doping-activated thermal polymorphic transition of luminescent organic crystals.","Chemical communications (Cambridge, England)","2026","62","31","8008","8012","10.1039/d6cc00603e","","","1.54184","CuKα","","0.0687","0.0576","","","0.1521","0.1598","","","","","","1.103","","","","has coordinates","306274","2026-06-05","18:21:36",""
"7135687","10.732","0.002","13.016","0.003","16.92","0.004","83.593","0.008","75.946","0.008","88.332","0.008","2278.4","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H46 Cs2 N4 Np2 O16 -","- C37 H25 Cs2 N Np2 O13 -","- C74 H50 Cs4 N2 Np4 O26 -","2","1","","Volkov, Mikhail A.; Parashutin, Egor D.; Fedoseev, Alexander M.; Grigoriev, Mikhail S.; Novikov, Anton P.; Nevolin, Iury M.; Shiryaev, Andrey A.; Averin, Alexey A.; Abkhalimov, Evgeny V.","The first bimetallic Np(V) MOF with a Np<sub>4</sub>Cs<sub>2</sub>O<sub>8</sub> structural unit: sorption properties and thermal and radiation stability.","Chemical communications (Cambridge, England)","2026","62","32","8284","8288","10.1039/d6cc01288d","","","0.71073","MoKα","","0.0613","0.0412","","","0.0883","0.0962","","","","","","1.026","","","","has coordinates","305748","2026-05-05","08:41:03",""
"7135688","16.5182","0.0003","13.8191","0.0002","13.2866","0.0002","90","","113.011","0.002","90","","2791.56","0.09","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H43 B O2 Si2 -","- C28 H43 B O2 Si2 -","- C112 H172 B4 O8 Si8 -","4","1","","Ueji, Kanta; Shintani, Ryo","Regio- and diastereoselective synthesis of multi-substituted silacyclopentanes by catalytic cyclosilylborylation of styryl(vinyl)silanes.","Chemical communications (Cambridge, England)","2026","62","33","8461","8465","10.1039/d6cc00416d","","","1.54184","CuKα","","0.0399","0.0354","","","0.0923","0.0953","","","","","","1.034","","","","has coordinates,has disorder","305765","2026-05-05","08:47:28",""
"7135689","15.2241","0.0002","14.3979","0.0002","13.2285","0.0002","90","","92.762","0.001","90","","2896.25","0.07","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H45 B O2 Si2 -","- C29 H45 B O2 Si2 -","- C116 H180 B4 O8 Si8 -","4","1","","Ueji, Kanta; Shintani, Ryo","Regio- and diastereoselective synthesis of multi-substituted silacyclopentanes by catalytic cyclosilylborylation of styryl(vinyl)silanes.","Chemical communications (Cambridge, England)","2026","62","33","8461","8465","10.1039/d6cc00416d","","x-ray","1.54184","CuKα","","0.0526","0.0495","","","0.1356","0.1413","","","","","","1.039","","","","has coordinates","305765","2026-05-05","08:47:28",""
"7135690","9.9426","0.0003","23.974","0.0006","12.4843","0.0003","90","","99.3","0.003","90","","2936.69","0.14","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H33 N3 O6 S -","- C32 H33 N3 O6 S -","- C128 H132 N12 O24 S4 -","4","1","","Lin, Haoyuan; Meng, Junjie; Zhang, Yue; Li, Zhaodong","Pd(II)-catalyzed domino aminopalladation/desymmetrizative ring-opening of diazabicycles: synthesis of indolyl-functionalized cyclopentenylamines.","Chemical communications (Cambridge, England)","2026","62","31","8046","8050","10.1039/d6cc00349d","","x-ray","1.54184","CuKα","","0.0887","0.0809","","","0.177","0.1811","","","","","","1.111","","","","has coordinates,has disorder","305759","2026-05-05","08:46:28",""
"7135691","9.1802","0.0008","11.285","0.001","12.0488","0.001","102.415","0.003","94.37","0.003","104.862","0.003","1166.81","0.18","296","","296","","","","","","","","","6","P -1","-P 1","2","","","","- C23 H24 Cl2 Co N5 O -","- C23 H24 Cl2 Co N5 O -","- C46 H48 Cl4 Co2 N10 O2 -","2","1","","Saha, Shankhadeep; Deka, Bristi Maina; Guha, Ankur K.; Mondal, Biplab","Ligand-induced release of HNO/NO<sup>-</sup> from a cobalt(II)-nitrosyl complex.","Chemical communications (Cambridge, England)","2026","62","36","9188","9192","10.1039/d6cc00661b","","","0.71073","MoKα","","0.0728","0.0702","","","0.1832","0.1861","","","","","","1.095","","","","has coordinates","306282","2026-06-05","18:22:41",""
"7135692","19.257","0.003","18.442","0.003","7.9702","0.0019","90","","99.63","0.02","90","","2790.6","0.9","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C16 H16 B2 N2 -","- C16 H16 B2 N2 -","- C128 H128 B16 N16 -","8","2","","Liu, Bingkang; Cui, Jiahao; Wu, Xiaoming; Zhou, Jing; Zhang, Lei; Li, Chenglong; Liu, Xuguang","Bis-BN-embedded [4]helicenes: synthesis, structures and properties.","Chemical communications (Cambridge, England)","2026","62","33","8481","8485","10.1039/d6cc00478d","","x-ray","0.71073","MoKα","","0.1309","0.0795","","","0.1976","0.2446","","","","","","0.998","","","","has coordinates","305725","2026-05-05","08:33:26",""
"7135693","13.4755","0.0011","15.3837","0.0014","19.915","0.002","90","","90","","90","","4128.4","0.7","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C26 H20 B2 N2 -","- C26 H20 B2 N2 -","- C208 H160 B16 N16 -","8","1","","Liu, Bingkang; Cui, Jiahao; Wu, Xiaoming; Zhou, Jing; Zhang, Lei; Li, Chenglong; Liu, Xuguang","Bis-BN-embedded [4]helicenes: synthesis, structures and properties.","Chemical communications (Cambridge, England)","2026","62","33","8481","8485","10.1039/d6cc00478d","","x-ray","0.71073","MoKα","","0.1199","0.0683","","","0.173","0.2334","","","","","","1.066","","","","has coordinates","305725","2026-05-05","08:33:26",""
"7135694","10.523","0.0008","13.4295","0.0011","26.9791","0.0017","90","","91.28","0.006","90","","3811.7","0.5","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C20 H14 B Br3 N2 -","- C20 H14 B Br3 N2 -","- C160 H112 B8 Br24 N16 -","8","1","","Liu, Bingkang; Cui, Jiahao; Wu, Xiaoming; Zhou, Jing; Zhang, Lei; Li, Chenglong; Liu, Xuguang","Bis-BN-embedded [4]helicenes: synthesis, structures and properties.","Chemical communications (Cambridge, England)","2026","62","33","8481","8485","10.1039/d6cc00478d","","x-ray","0.71073","MoKα","","0.0713","0.0406","","","0.0874","0.1006","","","","","","1.016","","","","has coordinates","305725","2026-05-05","08:33:26",""
"7135695","32.7022","0.0014","6.8431","0.0003","25.6062","0.0011","90","","96.362","0.003","90","","5695","0.4","102","","102","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C72 H59 B N4 O -","- C72 H59 B N4 O -","- C288 H236 B4 N16 O4 -","4","1","","Gao, Ying; Guo, Xiaoyu; Xie, Bingjie; Miao, Jingsheng; Zou, Yang; Yang, Chuluo","A triazatruxene decorated multi-resonance emitter with hybrid short- and long-range charge-transfer excited states enables efficient narrowband deep-blue electroluminescence.","Chemical communications (Cambridge, England)","2026","62","32","8203","8206","10.1039/d6cc00501b","","","1.54178","CuKα","","0.0709","0.0619","","","0.1535","0.1594","","","","","","1.047","","","","has coordinates","305749","2026-05-05","08:41:08",""
"7135696","7.3633","0.0002","13.9055","0.0004","13.1255","0.0003","90","","92.815","0.002","90","","1342.3","0.06","100","0.14","100","0.14","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C35 H29 Fe2 N O2 -","- C35 H29 Fe2 N O2 -","- C70 H58 Fe4 N2 O4 -","2","1","","Sawano, Takahiro; Murata, Kayo; Suzaki, Tomoaki; Urasawa, Kazuki; Kobayashi, Manami; Aso, Ryota; Ozasa, Kazuki; Ishikawa, Eri; Takeuchi, Ryo","Synthesis of planar chiral biferrocenes by iridium-catalyzed [2+2+2] cycloaddition of biferrocene-linked diynes with nitriles: asymmetric desymmetrization and kinetic resolution.","Chemical communications (Cambridge, England)","2026","62","33","8451","8455","10.1039/d6cc00435k","","x-ray","1.54184","CuKα","","0.0304","0.0291","","","0.0709","0.0715","","","","","","1.055","","","","has coordinates","305727","2026-05-05","08:33:51",""
"7135697","6.99","0.004","10.252","0.006","13.881","0.007","82.8","0.02","87.62","0.019","87.93","0.02","985.6","0.9","296","","296","","","","","","","","","3","P -1","-P 1","2","","","","- C26 H22 Fe2 -","- C26 H22 Fe2 -","- C52 H44 Fe4 -","2","1","","Sawano, Takahiro; Murata, Kayo; Suzaki, Tomoaki; Urasawa, Kazuki; Kobayashi, Manami; Aso, Ryota; Ozasa, Kazuki; Ishikawa, Eri; Takeuchi, Ryo","Synthesis of planar chiral biferrocenes by iridium-catalyzed [2+2+2] cycloaddition of biferrocene-linked diynes with nitriles: asymmetric desymmetrization and kinetic resolution.","Chemical communications (Cambridge, England)","2026","62","33","8451","8455","10.1039/d6cc00435k","","","0.71075","MoKα","","0.0375","0.0294","","","0.0733","0.0769","","","","","","1.025","","","","has coordinates","305727","2026-05-05","08:33:51",""
"7135698","12.3172","0.0002","13.1072","0.0003","17.4271","0.0003","87.741","0.002","70.757","0.002","73.585","0.002","2543.55","0.09","99.97","0.11","99.97","0.11","","","","","","","","3","P -1","-P 1","2","","","","- C72 H52 Fe4 -","- C72 H52 Fe4 -","- C144 H104 Fe8 -","2","1","","Sawano, Takahiro; Murata, Kayo; Suzaki, Tomoaki; Urasawa, Kazuki; Kobayashi, Manami; Aso, Ryota; Ozasa, Kazuki; Ishikawa, Eri; Takeuchi, Ryo","Synthesis of planar chiral biferrocenes by iridium-catalyzed [2+2+2] cycloaddition of biferrocene-linked diynes with nitriles: asymmetric desymmetrization and kinetic resolution.","Chemical communications (Cambridge, England)","2026","62","33","8451","8455","10.1039/d6cc00435k","","x-ray","1.54184","CuKα","","0.0315","0.0291","","","0.0701","0.0711","","","","","","1.033","","","","has coordinates","305727","2026-05-05","08:33:51",""
"7135699","18.1049","0.0005","7.4356","0.0002","13.5342","0.0004","90","","106.31","0.003","90","","1748.66","0.09","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 Fe2 -","- C24 H18 Fe2 -","- C96 H72 Fe8 -","4","1","","Sawano, Takahiro; Murata, Kayo; Suzaki, Tomoaki; Urasawa, Kazuki; Kobayashi, Manami; Aso, Ryota; Ozasa, Kazuki; Ishikawa, Eri; Takeuchi, Ryo","Synthesis of planar chiral biferrocenes by iridium-catalyzed [2+2+2] cycloaddition of biferrocene-linked diynes with nitriles: asymmetric desymmetrization and kinetic resolution.","Chemical communications (Cambridge, England)","2026","62","33","8451","8455","10.1039/d6cc00435k","","x-ray","1.54184","CuKα","","0.0378","0.0336","","","0.0802","0.082","","","","","","1.063","","","","has coordinates","305727","2026-05-05","08:33:51",""
"7135700","7.2414","0.0002","12.4389","0.0003","15.5403","0.0004","72.804","0.002","86.667","0.002","76.572","0.002","1300.58","0.06","100","0.1","100","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C36 H26 Fe2 -","- C36 H26 Fe2 -","- C72 H52 Fe4 -","2","1","","Sawano, Takahiro; Murata, Kayo; Suzaki, Tomoaki; Urasawa, Kazuki; Kobayashi, Manami; Aso, Ryota; Ozasa, Kazuki; Ishikawa, Eri; Takeuchi, Ryo","Synthesis of planar chiral biferrocenes by iridium-catalyzed [2+2+2] cycloaddition of biferrocene-linked diynes with nitriles: asymmetric desymmetrization and kinetic resolution.","Chemical communications (Cambridge, England)","2026","62","33","8451","8455","10.1039/d6cc00435k","","x-ray","1.54184","CuKα","","0.0325","0.0297","","","0.0741","0.0755","","","","","","1.079","","","","has coordinates","305727","2026-05-05","08:33:51",""
"7135701","11.29","0.004","12.851","0.003","16.608","0.004","90","","90","","90","","2409.6","1.2","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H27 Fe2 N -","- C33 H27 Fe2 N -","- C132 H108 Fe8 N4 -","4","1","","Sawano, Takahiro; Murata, Kayo; Suzaki, Tomoaki; Urasawa, Kazuki; Kobayashi, Manami; Aso, Ryota; Ozasa, Kazuki; Ishikawa, Eri; Takeuchi, Ryo","Synthesis of planar chiral biferrocenes by iridium-catalyzed [2+2+2] cycloaddition of biferrocene-linked diynes with nitriles: asymmetric desymmetrization and kinetic resolution.","Chemical communications (Cambridge, England)","2026","62","33","8451","8455","10.1039/d6cc00435k","","","0.71075","MoKα","","0.0196","0.0191","","","0.0516","0.0518","","","","","","1.069","","","","has coordinates","305727","2026-05-05","08:33:51",""
"7135702","18.8836","0.0005","7.0009","0.0002","15.6731","0.0005","90","","106.368","0.003","90","","1988.04","0.1","100","0.1","100","0.1","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C26 H22 Fe2 -","- C26 H22 Fe2 -","- C104 H88 Fe8 -","4","1","","Sawano, Takahiro; Murata, Kayo; Suzaki, Tomoaki; Urasawa, Kazuki; Kobayashi, Manami; Aso, Ryota; Ozasa, Kazuki; Ishikawa, Eri; Takeuchi, Ryo","Synthesis of planar chiral biferrocenes by iridium-catalyzed [2+2+2] cycloaddition of biferrocene-linked diynes with nitriles: asymmetric desymmetrization and kinetic resolution.","Chemical communications (Cambridge, England)","2026","62","33","8451","8455","10.1039/d6cc00435k","","x-ray","1.54184","CuKα","","0.0307","0.0293","","","0.0744","0.075","","","","","","1.064","","","","has coordinates","305727","2026-05-05","08:33:51",""
"7135703","17.997","0.007","17.997","0.007","16.198","0.005","90","","90","","120","","4544","3","296","","296","","","","","","","","","3","R -3 :H","-R 3","148","","","","- C26 H22 Fe2 -","- C26 H22 Fe2 -","- C234 H198 Fe18 -","9","0.5","","Sawano, Takahiro; Murata, Kayo; Suzaki, Tomoaki; Urasawa, Kazuki; Kobayashi, Manami; Aso, Ryota; Ozasa, Kazuki; Ishikawa, Eri; Takeuchi, Ryo","Synthesis of planar chiral biferrocenes by iridium-catalyzed [2+2+2] cycloaddition of biferrocene-linked diynes with nitriles: asymmetric desymmetrization and kinetic resolution.","Chemical communications (Cambridge, England)","2026","62","33","8451","8455","10.1039/d6cc00435k","","","0.71075","MoKα","","0.0363","0.0284","","","0.0698","0.0729","","","","","","1.054","","","","has coordinates","305727","2026-05-05","08:33:51",""
"7135704","9.4082","0.0003","9.7583","0.0003","10.7276","0.0003","68.526","0.003","80","0.002","79.6","0.003","895.21","0.05","100","0.1","100","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C48 H36 Fe4 -","- C48 H36 Fe4 -","- C48 H36 Fe4 -","1","0.5","","Sawano, Takahiro; Murata, Kayo; Suzaki, Tomoaki; Urasawa, Kazuki; Kobayashi, Manami; Aso, Ryota; Ozasa, Kazuki; Ishikawa, Eri; Takeuchi, Ryo","Synthesis of planar chiral biferrocenes by iridium-catalyzed [2+2+2] cycloaddition of biferrocene-linked diynes with nitriles: asymmetric desymmetrization and kinetic resolution.","Chemical communications (Cambridge, England)","2026","62","33","8451","8455","10.1039/d6cc00435k","","x-ray","1.54184","CuKα","","0.0319","0.0296","","","0.0749","0.0759","","","","","","1.081","","","","has coordinates","305727","2026-05-05","08:33:51",""
"7135705","22.0448","0.0009","22.0448","0.0009","23.7361","0.0013","90","","90","","120","","9989.7","0.8","193.15","0.1","193.15","0.1","","","","","","","","5","P 32","P 32","145","","","","- C351 H456 N36 O174 S27 -","- C351 H456 N36 O174 S27 -","- C351 H456 N36 O174 S27 -","1","0.333333","","Wang, Jia-Yu; Zhou, Bin; Cao, Li-Hui","A photoresponsive ionic hydrogen-bonded organic framework exhibiting pyridine protonation effects achieves room-temperature phosphorescence through polymer doping.","Chemical communications (Cambridge, England)","2026","62","30","7804","7807","10.1039/d6cc00877a","","x-ray","0.71073","MoKα","","0.1574","0.1154","","","0.2695","0.2951","","","","","","1.085","","","","has coordinates,has disorder","305752","2026-05-05","08:44:50",""
"7135706","19.8353","0.0003","16.2211","0.0002","16.1661","0.0003","90","","109.513","0.001","90","","4902.71","0.14","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H14 B F5 N4 S -","- C30 H14 B F5 N4 S -","- C240 H112 B8 F40 N32 S8 -","8","2","","Zhang, Lei; Wu, Qinghua; Li, Zhongxin; Gu, Wenxin; Kang, Zhengxin; Wang, Hua; Wang, Long; Shang, Yingjian; Jiao, Lijuan; Hao, Erhong","Chiral bowl-shaped thiazole-embedded B(III)-azatriphyrins(2.1.1): a nonaromatic platform <i>via</i> triple core-modification.","Chemical communications (Cambridge, England)","2026","62","26","6969","6973","10.1039/d6cc00989a","","","0.68883","synchrotron","","0.098","0.0518","","","0.1075","0.1166","","","","","","0.701","","","","has coordinates","305261","2026-04-04","06:37:09",""
"7135707","5.8725","0.0002","17.5018","0.0006","20.6518","0.0007","90","","90","","90","","2122.58","0.13","273","2","273.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H24 F N O2 -","- C26 H24 F N O2 -","- C104 H96 F4 N4 O8 -","4","1","","Ren, Deyue; Zhao, Jie; Xia, Jintao; Zhang, He; Qiu, Yingchun; Yu, Ziqi; Hu, Jinping; Li, Tianhao; Xie, Fang","Enantioselective Pd&Cu-catalyzed coupling of imine esters with <i>gem</i>-difluorinated cyclopropanes.","Chemical communications (Cambridge, England)","2026","62","23","6360","6363","10.1039/d6cc00880a","","","1.54178","CuKα","","0.0663","0.0639","","","0.1819","0.1857","","","","","","1.069","","","","has coordinates","305262","2026-04-04","06:38:25",""
"7135708","15.1823","0.0007","6.5451","0.0003","25.8783","0.0013","90","","99.655","0.002","90","","2535.1","0.2","296","2","296","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C64 H40 N4 O9 Zn -","- C64 H40 N4 O9 Zn -","- C128 H80 N8 O18 Zn2 -","2","0.5","","Feng, Xiaoqi; Chen, Xin; Li, Xinyan; Huang, Kunlin; Liu, Xi","Excitation-wavelength-dependent emission of a luminescent host–guest Zn(ii) metal–organic framework for high-performance white LEDs","Chemical Communications","2026","62","23","6410","6413","10.1039/D6CC00516K","","","0.71073","MoKα","","0.0327","0.0281","","","0.0823","0.1025","","","","","","1.004","","","","has coordinates","305263","2026-04-04","06:38:30",""
"7135709","11.562","0.0007","4.0956","0.0002","27.5269","0.0015","90","","95.943","0.002","90","","1296.48","0.12","200","2","200","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H12 Br N O3 -","- C13 H12 Br N O3 -","- C52 H48 Br4 N4 O12 -","4","1","","Parthasarathy, Thiyagaraj; Bhowmik, Aritra; Mishra, Manish Kumar; Ghosh, Soumyajit","Helically twistable cyanoacrylate crystal with simultaneous photomechanical bending.","Chemical communications (Cambridge, England)","2026","62","34","8661","8664","10.1039/d6cc00942e","","","0.71073","MoKα","","0.0521","0.0348","","","0.0818","0.0961","","","","","","1.131","","","","has coordinates","306289","2026-06-05","18:23:34",""
"7135710","9.3324","0.0007","21.7592","0.0016","9.8515","0.0007","90","","112.594","0.003","90","","1847","0.2","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H15 N3 O5 -","- C22 H15 N3 O5 -","- C88 H60 N12 O20 -","4","1","","Ahamed, Sk Shamim; Mandal, Uma Sankar; Manna, Debashree; Ghosh, Tapas","Ligand-free nickel-catalyzed arylation cascades for accessing pyrrolopyridin-2-one, pyranoindole-2,7-dione, and indolin-2-one frameworks with mechanistic insights.","Chemical communications (Cambridge, England)","2026","62","36","9203","9207","10.1039/d6cc00096g","","","0.71073","MoKα","","0.3153","0.2223","","","0.4795","0.5679","","","","","","1.888","","","","has coordinates","306278","2026-06-05","18:22:06",""
"7135711","9.3842","0.0006","6.1358","0.0005","18.3975","0.0017","90","","96.437","0.007","90","","1052.64","0.15","297","2","297","2","","","","","","","","5","P 1 21 1","P 2yb","4","ibuprofen L-proline sodium","","","- C18 H30 N Na O6 -","- C18 H30 N Na O6 -","- C36 H60 N2 Na2 O12 -","2","1","","Wen, Ting; Robeyns, Koen; Collard, Laurent; Leyssens, Tom; Leng, Fucheng","Chiral resolution of racemic ibuprofen sodium <i>via</i> diastereomeric ionic cocrystallization with proline.","Chemical communications (Cambridge, England)","2026","62","32","8280","8283","10.1039/d6cc01175f","","","0.71073","MoKα","","0.0597","0.0545","","","0.1538","0.157","","","","","","1.082","","","","has coordinates,has disorder","306257","2026-06-05","18:17:11",""
"7135712","5.7825","0.0006","9.8484","0.001","17.05","0.0015","83.265","0.008","84.387","0.008","85.997","0.008","957.97","0.16","297","2","297","2","","","","","","","","5","P 1","P 1","1","S-ibuprofen L-proline sodium","","","- C18 H26 N Na O4 -","- C18 H26 N Na O4 -","- C36 H52 N2 Na2 O8 -","2","2","","Wen, Ting; Robeyns, Koen; Collard, Laurent; Leyssens, Tom; Leng, Fucheng","Chiral resolution of racemic ibuprofen sodium <i>via</i> diastereomeric ionic cocrystallization with proline.","Chemical communications (Cambridge, England)","2026","62","32","8280","8283","10.1039/d6cc01175f","","","0.71073","MoKα","","0.0652","0.0517","","","0.1249","0.1356","","","","","","1.046","","","","has coordinates,has disorder","306257","2026-06-05","18:17:11",""
"7135713","37.167","0.003","37.167","0.003","37.167","0.003","90","","90","","90","","51342","7","193","","193","","","","","","","","","7","F m -3 m","-F 4 2 3","225","","","","- C116 H92 Cl6 F24 N2 O43 Zr12 -","- C108 H72 Cl6 F24 O40 Zr12 -","- C864 H576 Cl48 F192 O320 Zr96 -","8","0.0416667","","Yang, Tao; Fan, Zhiyuan; Zheng, Jingyang; Zhang, Meng; Chen, Tao; Zhou, Yuqing; Li, Changjiang; Jiang, Yao; Sun, Lin-Bing","A fluorinated zirconium metal-organic cage-based supramolecular framework for efficient separation of methanol-to-olefin (MTO) products.","Chemical communications (Cambridge, England)","2026","62","35","9001","9005","10.1039/d6cc00359a","","","1.34139","GaKα","","0.1604","0.1382","","","0.2328","0.2429","","","","","","1.082","","","","has coordinates,has disorder","306286","2026-06-05","18:23:08",""
"7135714","8.0567","0.0006","15.9953","0.0007","44.136","0.002","90","","93.047","0.004","90","","5679.7","0.6","100.15","","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C78 H62 O3 -","- C78 H62 O3 -","- C312 H248 O12 -","4","1","","Seankongsuk, Pattarakiat; Vacek, Martin; Rybáček, Jiří; Vacek, Jaroslav; Kutsenka, Katsiaryna; Bednárová, Lucie; Pohl, Radek; Císařová, Ivana; Stará, Irena G; Starý, Ivo","Triptycene-grafted helicenes: modular synthesis and key properties.","Chemical communications (Cambridge, England)","2026","62","33","8426","8430","10.1039/d5cc06240c","","x-ray","1.54178","CuKα","","0.1368","0.1342","","","0.3248","0.3258","","","","","","1.19","","","","has coordinates,has disorder","305730","2026-05-05","08:35:37",""
"7135715","9.7883","0.0004","12.3872","0.0005","21.4954","0.0006","105.172","0.003","93.698","0.003","106.045","0.003","2391.02","0.16","150.01","0.1","150.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C96.74 H65.48 B6 Cl9.48 N10 O18 -","- C96.738 H65.476 B6 Cl9.476 N10 O18 -","- C96.738 H65.476 B6 Cl9.476 N10 O18 -","1","0.5","","Xu, Jieqiong; Zhou, Jie; Yang, Wenyan; Deng, Shengyong; Wei, Peifa","Competitive supramolecular assembly tunes anthracene emission over 165 nm <i>via</i> controlled π-overlap.","Chemical communications (Cambridge, England)","2026","62","34","8743","8747","10.1039/d6cc01407k","","x-ray","1.54184","CuKα","","0.1171","0.1021","","","0.3311","0.3472","","","","","","1.429","","","","has coordinates,has disorder","306292","2026-06-05","18:23:54",""
"7135716","15.12783","0.00019","19.4966","0.0003","25.6114","0.0004","90","","90","","90","","7553.86","0.19","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C34 H22 B3 Cl6 N4 O9 -","- C34 H22 B3 Cl6 N4 O9 -","- C272 H176 B24 Cl48 N32 O72 -","8","1","","Xu, Jieqiong; Zhou, Jie; Yang, Wenyan; Deng, Shengyong; Wei, Peifa","Competitive supramolecular assembly tunes anthracene emission over 165 nm <i>via</i> controlled π-overlap.","Chemical communications (Cambridge, England)","2026","62","34","8743","8747","10.1039/d6cc01407k","","","1.54184","CuKα","","0.0617","0.0531","","","0.1508","0.1576","","","","","","1.069","","","","has coordinates","306292","2026-06-05","18:23:54",""
"7135717","7.28717","0.00011","9.78487","0.00014","19.0201","0.0002","95.983","0.0011","93.9279","0.0012","97.9149","0.0012","1331.24","0.03","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H22 B N3 O4 -","- C34 H22 B N3 O4 -","- C68 H44 B2 N6 O8 -","2","1","","Xu, Jieqiong; Zhou, Jie; Yang, Wenyan; Deng, Shengyong; Wei, Peifa","Competitive supramolecular assembly tunes anthracene emission over 165 nm <i>via</i> controlled π-overlap.","Chemical communications (Cambridge, England)","2026","62","34","8743","8747","10.1039/d6cc01407k","","","1.54184","CuKα","","0.0628","0.0549","","","0.1624","0.1692","","","","","","1.055","","","","has coordinates","306292","2026-06-05","18:23:54",""
"7135718","10.864","0.0002","18.0411","0.0005","36.2165","0.0008","90","","95.724","0.002","90","","7063","0.3","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C149 H140 B6 Cl2 N12 O19 -","- C149 H140 B6 Cl2 N12 O19 -","- C298 H280 B12 Cl4 N24 O38 -","2","0.5","","Xu, Jieqiong; Zhou, Jie; Yang, Wenyan; Deng, Shengyong; Wei, Peifa","Competitive supramolecular assembly tunes anthracene emission over 165 nm <i>via</i> controlled π-overlap.","Chemical communications (Cambridge, England)","2026","62","34","8743","8747","10.1039/d6cc01407k","","","1.54184","CuKα","","0.1272","0.101","","","0.2889","0.3096","","","","","","1.057","","","","has coordinates,has disorder","306292","2026-06-05","18:23:54",""
"7135719","13.4057","0.0003","15.8559","0.0002","20.9632","0.0004","99.4547","0.0013","99.878","0.0018","94.9948","0.0016","4299.68","0.14","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H30 B2 Cl6 N4 O8 -","- C42 H30 B2 Cl6 N4 O8 -","- C168 H120 B8 Cl24 N16 O32 -","4","2","","Xu, Jieqiong; Zhou, Jie; Yang, Wenyan; Deng, Shengyong; Wei, Peifa","Competitive supramolecular assembly tunes anthracene emission over 165 nm <i>via</i> controlled π-overlap.","Chemical communications (Cambridge, England)","2026","62","34","8743","8747","10.1039/d6cc01407k","","","1.54184","CuKα","","0.1224","0.0982","","","0.262","0.2749","","","","","","1.083","","","","has coordinates,has disorder","306292","2026-06-05","18:23:54",""
"7135720","12.7706","0.0008","14.9937","0.001","12.2093","0.0008","90","","96.322","0.006","90","","2323.6","0.3","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H29 F N2 Si -","- C24 H29 F N2 Si -","- C96 H116 F4 N8 Si4 -","4","1","","Zhu, Tiantian; Zhang, Qiang; Li, Xianling; Liang, Taoyuan; Zhao, Shuangliang; Zhang, Zhuan","Catalyst-controlled regio- and chemodivergent C-H functionalization of imidazopyridines with TIPS-protected terminal alkynes.","Chemical communications (Cambridge, England)","2026","62","34","8752","8755","10.1039/d6cc01180b","","x-ray","1.54184","CuKα","","0.084","0.0649","","","0.1766","0.197","","","","","","1.043","","","","has coordinates","306291","2026-06-05","18:23:49",""
"7135721","18.0162","0.001","14.2172","0.0011","14.072","0.0011","90","","92.78","0.006","90","","3600.2","0.4","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H53 F N2 Si2 -","- C35 H53 F N2 Si2 -","- C140 H212 F4 N8 Si8 -","4","1","","Zhu, Tiantian; Zhang, Qiang; Li, Xianling; Liang, Taoyuan; Zhao, Shuangliang; Zhang, Zhuan","Catalyst-controlled regio- and chemodivergent C-H functionalization of imidazopyridines with TIPS-protected terminal alkynes.","Chemical communications (Cambridge, England)","2026","62","34","8752","8755","10.1039/d6cc01180b","","x-ray","1.54184","CuKα","","0.0893","0.0651","","","0.1702","0.1944","","","","","","1.05","","","","has coordinates,has disorder","306291","2026-06-05","18:23:49",""
"7135722","12.5608","0.0008","6.769","0.0004","21.8646","0.0014","90","","97.77","0.002","90","","1841.9","0.2","180","","180","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H21 Br O2 Si -","- C19 H21 Br O2 Si -","- C76 H84 Br4 O8 Si4 -","4","1","","Wang, Yueyuan; Huang, Longtao; Xu, Shizhao; Lin, Luqing","Oxygen-directed, copper-catalyzed, diastereoselective protosilylation of cyclopropenes.","Chemical communications (Cambridge, England)","2026","62","34","8756","8760","10.1039/d6cc01351a","","","1.34138","GaKα","","0.0744","0.063","","","0.1694","0.1791","","","","","","1.108","","","","has coordinates","306293","2026-06-05","18:23:59",""
"7135723","18.4851","0.0007","11.4662","0.0004","16.1722","0.0006","90","","110.578","0.0009","90","","3209.1","0.2","100","2","173","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H30 F6 Fe N6 O7 S2 -","- C26 H30 F6 Fe N6 O7 S2 -","- C104 H120 F24 Fe4 N24 O28 S8 -","4","1","","Lee, Hyewon; Wijayanti, Lucia Wiwid; Park, Hyungbin; Hong, Seungwoo","Ligand field and polarity tuning of Fe(II) complexes for selective ROS-mediated anticancer activity.","Chemical communications (Cambridge, England)","2026","62","33","8491","8495","10.1039/d6cc00812g","","","0.71073","MoKα","","0.0839","0.0661","","","0.1261","0.1406","","","","","","1.155","","","","has coordinates,has disorder","305726","2026-05-05","08:33:37",""
"7135724","12.507","0.002","13.541","0.002","14.653","0.003","90","","102.641","0.006","90","","2421.4","0.7","109","","109","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","260312Wayama","","- C28 H38 N2 O4 -","- C28 H38 N2 O4 -","- C112 H152 N8 O16 -","4","1","","Wayama, Toshiaki; Horinouchi, Riku; Arai, Masayoshi; Ohashi, Hirofumi; Watashi, Koichi; Yoshida, Satoshi; Sato, Sota; Tsukamoto, Sachiko; Oguri, Hiroki","Design and concise synthesis of halicyclamine-inspired bis-macrocycles targeting DedA membrane proteins.","Chemical communications (Cambridge, England)","2026","62","35","9011","9015","10.1039/d6cc01052k","","","0.71073","MoKα","","0.1187","0.0615","","","0.1354","0.1876","","","","","","1.039","","","","has coordinates,has disorder","306285","2026-06-05","18:23:02",""
"7135725","23.609","0.007","7.549","0.002","17.523","0.005","90","","122.968","0.019","90","","2620.1","1.4","95","2","95.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H34 N2 O8 -","- C28 H34 N2 O8 -","- C112 H136 N8 O32 -","4","0.5","","Wayama, Toshiaki; Horinouchi, Riku; Arai, Masayoshi; Ohashi, Hirofumi; Watashi, Koichi; Yoshida, Satoshi; Sato, Sota; Tsukamoto, Sachiko; Oguri, Hiroki","Design and concise synthesis of halicyclamine-inspired bis-macrocycles targeting DedA membrane proteins.","Chemical communications (Cambridge, England)","2026","62","35","9011","9015","10.1039/d6cc01052k","","","0.9","synchrotron","","0.0937","0.0672","","","0.2045","0.224","","","","","","1.041","","","","has coordinates,has disorder","306285","2026-06-05","18:23:02",""
"7135726","10.0023","0.0004","11.3429","0.0005","13.8445","0.0005","92.051","0.003","98.084","0.003","106.815","0.004","1483.78","0.11","100.15","","100.15","","","","","","","","","7","P -1","-P 1","2","","Al(qsal)2NCSeCH2Cl2","","- C34 H24 Al Cl2 N5 O2 Se -","- C34 H24 Al Cl2 N5 O2 Se -","- C68 H48 Al2 Cl4 N10 O4 Se2 -","2","1","","Miyake, Kanta; Zenno, Hikaru; Sekine, Yoshihiro; Kosaka, Wataru; Miyasaka, Hitoshi; Hayami, Shinya","Quantitative evaluation of intermolecular interactions in Fe(III) spin crossover systems <i>via</i> metal dilution.","Chemical communications (Cambridge, England)","2026","62","33","8435","8438","10.1039/d5cc06360d","","x-ray","0.71073","MoKα","","0.0647","0.0465","","","0.0987","0.1049","","","","","","1.02","","","","has coordinates","305728","2026-05-05","08:34:14",""
"7135727","10.3788","0.0012","11.6467","0.0015","13.5263","0.0013","91.819","0.009","99.672","0.009","108.052","0.011","1526.3","0.3","130","","130","","","","","","","","","7","P -1","-P 1","2","","Ga(qsal)2NCSe","","- C34 H24 Cl2 Ga N5 O2 Se -","- C34 H24 Cl2 Ga N5 O2 Se -","- C68 H48 Cl4 Ga2 N10 O4 Se2 -","2","1","","Miyake, Kanta; Zenno, Hikaru; Sekine, Yoshihiro; Kosaka, Wataru; Miyasaka, Hitoshi; Hayami, Shinya","Quantitative evaluation of intermolecular interactions in Fe(III) spin crossover systems <i>via</i> metal dilution.","Chemical communications (Cambridge, England)","2026","62","33","8435","8438","10.1039/d5cc06360d","","x-ray","0.71073","MoKα","","0.1226","0.076","","","0.1692","0.1897","","","","","","1.0464","","","","has coordinates","305728","2026-05-05","08:34:14",""
"7135728","10.9109","0.0002","5.4517","0.0001","16.0369","0.0003","90","","95.255","0.001","90","","949.91","0.03","257","2","257","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H18 Br N2 O3 S -","- C18 H19 Br N2 O3 S -","- C36 H38 Br2 N4 O6 S2 -","2","1","","Zhou, Lijin; Fang, Jingjing; Tong, Xiaofeng; Qi, Linjun","Enantioselective synthesis of chiral cyclic hydroxylamine ethers <i>via</i> NiH-catalyzed cyclization of alkyne-oxime ethers.","Chemical communications (Cambridge, England)","2026","62","32","8289","8292","10.1039/d6cc00996d","","","1.54178","CuKα","","0.0228","0.0224","","","0.061","0.0614","","","","","","1.051","","","","has coordinates","305750","2026-05-05","08:41:13",""
"7135729","23.282","0.002","17.8335","0.0018","26.8489","0.0018","90","","104.209","0.002","90","","10806.6","1.6","100","2","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","2,7-CF3-3CzClIPN","(2s,4r,6s)-2,4,6-tris(2,7-bis(trifluoromethyl)-9H-carbazol-9-yl)-5-chloroisophthalonitrile","","- C128 H68 F36 N10 O8 -","- C116 H68 Cl2 F36 N10 O8 -","- C464 H272 Cl8 F144 N40 O32 -","4","1","","Hosford, Brandon M.; Patel, Mik; Calderón-Oliver, Rolando; Thompson, Maren B.; Cortez, Jennifer S.; Lamb, Jessica R.","Formalizing structure-property relationships of highly-oxidizing and weakly-reducing organic cyanoarene photocatalysts.","Chemical communications (Cambridge, England)","2026","62","35","8947","8951","10.1039/d6cc01391k","","","0.71073","MoKα","","0.0893","0.0562","","","0.1332","0.1543","","","","","","1.032","","","","has coordinates,has disorder","306288","2026-06-05","18:23:30",""
"7135730","12.8863","0.0007","10.2693","0.0006","21.4852","0.0012","90","","90","","90","","2843.2","0.3","100","","100","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C32 H32 Cl2 Co N4 O2 -","- C32 H32 Cl2 Co N4 O2 -","- C128 H128 Cl8 Co4 N16 O8 -","4","0.5","","Mukoyama, Mai; Hashimoto, Masashi; Shudo, Yuta; Yagi, Hajime; Kikuchi, Hayato; Nakaya, Manabu","Selective ammonia sensing through reversible vapochromism and luminescence ON-OFF switching of a chalcone-based Co(II) complex.","Chemical communications (Cambridge, England)","2026","62","39","9880","9884","10.1039/d5cc07385e","","","0.71073","MoKα","","0.0257","0.0238","","","0.0612","0.0622","","","","","","1.066","","","","has coordinates","306265","2026-06-05","18:18:22",""
"7135731","10.5426","0.0002","11.32","0.0002","17.057","0.0003","90","","101.834","0.002","90","","1992.36","0.06","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H17 N3 O2 -","- C27 H17 N3 O2 -","- C108 H68 N12 O8 -","4","1","","Zhou, Qianting; Zou, Jiayi; Xu, Haiyun; Gong, Yijun; Ma, Chunhua; Zhang, Xinying; Fan, Xuesen","<i>peri</i>-Selective C-H activation-initiated spiroannulation leading to spiropolycyclic compounds with unique photophysical properties and strong anticancer activity.","Chemical communications (Cambridge, England)","2026","62","37","9486","9490","10.1039/d6cc00372a","","x-ray","1.54184","CuKα","","0.0616","0.0523","","","0.1451","0.1553","","","","","","1.044","","","","has coordinates","306247","2026-06-05","18:15:02",""
"7135732","12.8646","0.0003","13.5761","0.0002","21.4206","0.0004","90","","90","","90","","3741.13","0.12","170","0.1","170","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C27 H16 N2 O -","- C27 H16 N2 O -","- C216 H128 N16 O8 -","8","1","","Zhou, Qianting; Zou, Jiayi; Xu, Haiyun; Gong, Yijun; Ma, Chunhua; Zhang, Xinying; Fan, Xuesen","<i>peri</i>-Selective C-H activation-initiated spiroannulation leading to spiropolycyclic compounds with unique photophysical properties and strong anticancer activity.","Chemical communications (Cambridge, England)","2026","62","37","9486","9490","10.1039/d6cc00372a","","x-ray","1.54184","CuKα","","0.0699","0.0595","","","0.1693","0.1766","","","","","","1.065","","","","has coordinates","306247","2026-06-05","18:15:02",""
"7135733","13.6356","0.0004","8.3718","0.0002","19.9438","0.0006","90","","108.495","0.003","90","","2159.09","0.11","294.53","0.1","294.53","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H17 N3 O5 -","- C27 H17 N3 O5 -","- C108 H68 N12 O20 -","4","1","","Zhou, Qianting; Zou, Jiayi; Xu, Haiyun; Gong, Yijun; Ma, Chunhua; Zhang, Xinying; Fan, Xuesen","<i>peri</i>-Selective C-H activation-initiated spiroannulation leading to spiropolycyclic compounds with unique photophysical properties and strong anticancer activity.","Chemical communications (Cambridge, England)","2026","62","37","9486","9490","10.1039/d6cc00372a","","x-ray","1.54184","CuKα","","0.0841","0.0564","","","0.1579","0.1681","","","","","","1.087","","","","has coordinates","306247","2026-06-05","18:15:02",""
"7135734","22.6868","0.0002","12.6267","0.0001","20.6141","0.0002","90","","103.526","0.001","90","","5741.32","0.09","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C242 H251 Br8 Co4 N33 O8 Zn4 -","- C242 H251 Br8 Co4 N33 O8 Zn4 -","- C242 H251 Br8 Co4 N33 O8 Zn4 -","1","0.25","","Razieh, Azaria C.; Sample, Harry C.; Hobson, Emily B.; Mueller, Anja; Prior, Timothy J.; Redshaw, Carl","Copper and manganese diazacalix[4]arene complexes: structural and cytotoxicity studies and use in ring opening polymerization of ε-caprolactone and δ-valerolactone.","Chemical communications (Cambridge, England)","2026","62","34","8769","8773","10.1039/d6cc00888g","","","0.71075","MoKα","","0.0587","0.0466","","","0.1182","0.1276","","","","","","1.025","","","","has coordinates,has disorder","306290","2026-06-05","18:23:39",""
"7135735","10.7727","0.0003","12.2755","0.0004","21.8766","0.0005","84.154","0.002","88.514","0.002","65.975","0.003","2628.22","0.14","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C110 H110 Br8 Co4 N11 O4 -","- C110 H110 Br8 Co4 N11 O4 -","- C110 H110 Br8 Co4 N11 O4 -","1","0.5","","Razieh, Azaria C.; Sample, Harry C.; Hobson, Emily B.; Mueller, Anja; Prior, Timothy J.; Redshaw, Carl","Copper and manganese diazacalix[4]arene complexes: structural and cytotoxicity studies and use in ring opening polymerization of ε-caprolactone and δ-valerolactone.","Chemical communications (Cambridge, England)","2026","62","34","8769","8773","10.1039/d6cc00888g","","","0.71075","MoKα","","0.0783","0.0452","","","0.0846","0.0934","","","","","","1.022","","","","has coordinates","306290","2026-06-05","18:23:39",""
"7135736","14.2178","0.0005","15.0893","0.0004","15.4758","0.0004","101.542","0.002","113.361","0.003","106.394","0.003","2734.4","0.19","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C115 H117.5 Br6 Co3 N13.5 O4 -","- C115 H117.5 Br6 Co3 N13.5 O4 -","- C115 H117.5 Br6 Co3 N13.5 O4 -","1","1","","Razieh, Azaria C.; Sample, Harry C.; Hobson, Emily B.; Mueller, Anja; Prior, Timothy J.; Redshaw, Carl","Copper and manganese diazacalix[4]arene complexes: structural and cytotoxicity studies and use in ring opening polymerization of ε-caprolactone and δ-valerolactone.","Chemical communications (Cambridge, England)","2026","62","34","8769","8773","10.1039/d6cc00888g","","","0.71075","MoKα","","0.0804","0.0528","","","0.1179","0.128","","","","","","1.03","","","","has coordinates,has disorder","306290","2026-06-05","18:23:39",""
"7135737","13.674","0.005","15.457","0.006","17.319","0.006","66.822","0.01","69.544","0.01","84.982","0.01","3148","2","273.15","","273.15","","","","","","","","","6","P -1","-P 1","2","","Monoclinic","","- C51 H66 Au Cu3 P S3 -","- C51 H66 Au Cu3 P S3 -","- C102 H132 Au2 Cu6 P2 S6 -","2","1","","Yamauchi, Hayato; Arima, Daichi; Mitsui, Masaaki","Aggregation-induced structural clamping drives NIR photoluminescence switching in Au<sub>2</sub>Cu<sub>6</sub> nanoclusters by suppressing El-Sayed-allowed intersystem crossing.","Chemical communications (Cambridge, England)","2026","62","35","8905","8909","10.1039/d6cc01220e","","","0.71073","MoKα","","0.0662","0.041","","","0.1009","0.1153","","","","","","1.029","","","","has coordinates","306287","2026-06-05","18:23:21",""
"7135738","13.3287","0.0004","11.516","0.0004","30.4997","0.0009","90","","90","","90","","4681.5","0.3","174","","174","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H26 B Fe N O6 -","- C25 H26 B Fe N O6 -","- C200 H208 B8 Fe8 N8 O48 -","8","1","","Lu, Fei; Song, Daan; Sun, Xinhao; Zhi, Ling; Liu, Xiaoyun; Zhao, Ximei; Wang, Guanghui","Highly diastereoselective synthesis of borylcyclopropanes by copper-catalyzed borylcyclopropanation of alkenes with enynones.","Chemical communications (Cambridge, England)","2026","62","36","9213","9217","10.1039/d6cc00756b","","","1.54178","CuKα","","0.1334","0.0977","","","0.1821","0.1982","","","","","","1.151","","","","has coordinates,has disorder","306277","2026-06-05","18:22:02",""
"7135739","5.8317","0.0004","11.0586","0.0008","13.6838","0.001","67.662","0.002","81.084","0.002","81.329","0.002","802.3","0.1","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H15 F2 O P -","- C19 H15 F2 O P -","- C38 H30 F4 O2 P2 -","2","1","","Phukan, Hirak Jyoti; Samanta, Arup; Mohar, Kailash; Mondal, Avijit; Dihingia, Rinku; Srimani, Dipankar","Mn(II)-catalyzed switchable synthesis of P(O)-C and P(O)-O bonds from alcohols and diarylphosphine oxides <i>via</i> phospha-Brook rearrangement.","Chemical communications (Cambridge, England)","2026","62","38","9676","9679","10.1039/d6cc01657j","","","0.71073","MoKα","","0.0359","0.0325","","","0.0983","0.108","","","","","","0.695","","","","has coordinates","306295","2026-06-05","18:24:11",""
"7135740","5.7473","0.0007","17.567","0.002","16.107","0.002","90","","97.413","0.003","90","","1612.6","0.3","295","2","295","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 O P -","- C20 H19 O P -","- C80 H76 O4 P4 -","4","1","","Phukan, Hirak Jyoti; Samanta, Arup; Mohar, Kailash; Mondal, Avijit; Dihingia, Rinku; Srimani, Dipankar","Mn(II)-catalyzed switchable synthesis of P(O)-C and P(O)-O bonds from alcohols and diarylphosphine oxides <i>via</i> phospha-Brook rearrangement.","Chemical communications (Cambridge, England)","2026","62","38","9676","9679","10.1039/d6cc01657j","","","0.71073","MoKα","","0.0548","0.0476","","","0.1075","0.1125","","","","","","1.0837","","","","has coordinates","306295","2026-06-05","18:24:11",""
"7135741","18.37","0.003","21.463","0.003","24.249","0.004","105.195","0.007","110.112","0.006","96.793","0.007","8432","2","185","","185","","","","","","","","","7","P -1","-P 1","2","","","","- C117 H106 B3 F12 Fe2 N22 O13 -","- C117 H106 B3 F12 Fe2 N22 O13 -","- C234 H212 B6 F24 Fe4 N44 O26 -","2","1","","Gao, Liu; Wang, Jinfeng; Shen, Kesheng; Jing, Xu; Duan, Chunying","A bioinspired metal-organic helicate drives electrocatalytic ethane production from carbon dioxide.","Chemical communications (Cambridge, England)","2026","62","37","9414","9418","10.1039/d6cc01440b","","x-ray","1.34138","GaKα","","0.1523","0.1203","","","0.2754","0.2931","","","","","","1.051","","","","has coordinates,has disorder","306250","2026-06-05","18:15:18",""
"7135742","14.1436","0.0012","17.1687","0.0015","20.6678","0.0017","108.502","0.003","95.339","0.004","113.214","0.003","4234.8","0.6","150","","150","","","","","","","","","3","P -1","-P 1","2","","","","- C104.6 H112.4 O2.6 -","- C102 H102 -","- C204 H204 -","2","1","","Zhang, Xiaoyu; Zhang, Xinyu; Lu, Dapeng; Huang, Qiang; Du, Pingwu","Synthesis, crystal structure, and inherent chirality in hexa(<i>tert</i>-butylphenyl)-substituted [6]cycloparaphenylene.","Chemical communications (Cambridge, England)","2026","62","36","9277","9280","10.1039/d6cc02109c","","","1.34139","GaKα","","0.1042","0.0596","","","0.1486","0.1712","","","","","","1.027","","","","has coordinates,has disorder","306283","2026-06-05","18:22:46",""
"7135743","3.8172","0.0002","11.1945","0.0005","21.6361","0.0009","90","","90","","90","","924.55","0.07","166","2","166","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3f","","- C10 H7 Cl N2 O -","- C10 H7 Cl N2 O -","- C40 H28 Cl4 N8 O4 -","4","1","","Mondal, Soumya; Ghosh, Pradyut","LMCT enabled photo-decarboxylative C-N cross-coupling of α,β-unsaturated acids with pyrazoles.","Chemical communications (Cambridge, England)","2026","62","38","9652","9656","10.1039/d6cc01177b","","","0.71073","MoKα","","0.0349","0.0317","","","0.0742","0.075","","","","","","1.13","","","","has coordinates","306296","2026-06-05","18:24:16",""
"7135744","13.9665","0.0009","5.5509","0.0003","13.1458","0.0008","90","","107.595","0.002","90","","971.47","0.1","299","2","299","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","succinimide-derivative","1-(benzo[d][1,3]dioxol-5-yl)pyrrolidine-2,5-dione","","- C44 N4 O16 -","- C44 N4 O16 -","- C44 N4 O16 -","1","0.25","","Banerjee, Debasis; Mullick, Suteerna","Fe-catalysed Chemoselective Hydrogenation of Maleimide to Succinimide using Water as Hydrogen Source","Chemical Communications","2026","","","","","10.1039/D6CC01749E","","","0.71073","MoKα","","0.1009","0.0795","","","0.2523","0.2838","","","","","","1.066","","","","has coordinates","305554","2026-04-16","22:06:59",""
"7135745","24.9","0.0003","24.9","0.0003","29.8591","0.0004","90","","90","","120","","16032.7","0.3","100","0.1","100","0.1","","","","","","","","7","R -3 :H","-R 3","148","","","","- C75 H132 Ag K3 N6 O18 Pb12 -","- C75 H132 Ag1.00002 K3 N6 O18 Pb12 -","- C450 H792 Ag6.00012 K18 N36 O108 Pb72 -","6","0.333333","","Ma, Qing-Xue; Shu, Cong-Cong; Qiao, Jiao-Yang; Dong, Cai-Xia; Sun, Zhong-Ming","Synthesis, characterization and electronic properties of the icosahedral Zintl cluster [Ag@Pb<sub>12</sub>]<sup>3</sup>.","Chemical communications (Cambridge, England)","2026","62","37","9473","9476","10.1039/d6cc01018k","","x-ray","0.71073","MoKα","","0.0365","0.0258","","","0.062","0.065","","","","","","1.0254","","","","has coordinates","306246","2026-06-05","18:14:57",""
"7135746","19.381","0.004","41.341","0.008","17.115","0.003","90","","116.12","0.03","90","","12313","5","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C62 H88 Ge2 N2 Ni P2 Si2 -","- C62 H88 Ge2 N2 Ni P2 Si2 -","- C496 H704 Ge16 N16 Ni8 P16 Si16 -","8","2","","Schubert, Emeric; Hadlington, Terrance J.","Ge<sup>II</sup>-H/Si<sup>IV</sup>-H dehydrocoupling and cycloaddition chemistry of a Ni<sup>0</sup> bis(hydridogermylene) complex.","Chemical communications (Cambridge, England)","2026","62","36","9272","9276","10.1039/d6cc00444j","","","0.71073","MoKα","","0.0862","0.0434","","","0.0862","0.099","","","","","","0.982","","","","has coordinates,has disorder","306281","2026-06-05","18:22:32",""
"7135747","13.978","0.003","22.012","0.004","23.376","0.005","82.38","0.03","78.37","0.03","84.61","0.03","6966","3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C70.5 H100 Ge2 N2 Ni P2 Si3 -","- C70.5 H100 Ge2 N2 Ni P2 Si3 -","- C282 H400 Ge8 N8 Ni4 P8 Si12 -","4","2","","Schubert, Emeric; Hadlington, Terrance J.","Ge<sup>II</sup>-H/Si<sup>IV</sup>-H dehydrocoupling and cycloaddition chemistry of a Ni<sup>0</sup> bis(hydridogermylene) complex.","Chemical communications (Cambridge, England)","2026","62","36","9272","9276","10.1039/d6cc00444j","","","0.71073","MoKα","","0.0828","0.0429","","","0.0744","0.0854","","","","","","1.002","","","","has coordinates,has disorder","306281","2026-06-05","18:22:32",""
"7135748","11.277","0.002","14.795","0.003","20.38","0.004","101.97","0.03","94.78","0.03","107.4","0.03","3135.4","1.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C64 H92 Ge2 N2 Ni P2 Si2 -","- C64 H92 Ge2 N2 Ni P2 Si2 -","- C128 H184 Ge4 N4 Ni2 P4 Si4 -","2","1","","Schubert, Emeric; Hadlington, Terrance J.","Ge<sup>II</sup>-H/Si<sup>IV</sup>-H dehydrocoupling and cycloaddition chemistry of a Ni<sup>0</sup> bis(hydridogermylene) complex.","Chemical communications (Cambridge, England)","2026","62","36","9272","9276","10.1039/d6cc00444j","","","0.71073","MoKα","","0.0778","0.04","","","0.0776","0.0882","","","","","","0.935","","","","has coordinates","306281","2026-06-05","18:22:32",""
"7135749","9.475","0.006","11.186","0.007","13.604","0.009","90","","107.221","0.019","90","","1377.2","1.5","297","2","297","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H22 Br N O2 S -","- C32 H22 Br N O2 S -","- C64 H44 Br2 N2 O4 S2 -","2","1","","Barman, Dipankar; Pan, Subhas Chandra","Organocatalytic asymmetric [4+4]-annulation reaction between ynones and benzylidene thiazolones: synthesis of eight-membered ether containing 4,5-fused thiazoles.","Chemical communications (Cambridge, England)","2026","62","36","9285","9288","10.1039/d6cc01689h","","","0.71073","MoKα","","0.0611","0.0388","","","0.1082","0.1378","","","","","","1.123","","","","has coordinates","306284","2026-06-05","18:22:55",""
"7135750","7.9657","0.0004","11.4669","0.0005","15.8658","0.0007","90","","90","","90","","1449.21","0.12","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H17 N O -","- C20 H17 N O -","- C80 H68 N4 O4 -","4","1","","Liu, Minxiu; Tan, Qi; Zhao, Feng","Three-component assembly of 2,3-disubstituted benzo[<i>e</i>]indoles from 1,2-diketones, 2-tetralones, and NH<sub>4</sub>OAc.","Chemical communications (Cambridge, England)","2026","62","36","9289","9293","10.1039/d6cc01590e","","x-ray","0.71073","MoKα","","0.0391","0.0335","","","0.0834","0.0866","","","","","","1.044","","","","has coordinates","306280","2026-06-05","18:22:18",""
"7135751","16.2169","0.0015","10.9188","0.001","10.4535","0.001","90","","107.393","0.003","90","","1766.4","0.3","301","2","301","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 N2 O2 S -","- C18 H24 N2 O2 S -","- C72 H96 N8 O8 S4 -","4","1","","Wang, Ze; Yu, Mengxia; Li, Shaoyu; Wu, Jie; Ye, Shengqing","A photo-induced three-component reaction of <i>N</i>-aryl piperidines, sulfur dioxide, and cycloketone oxime esters.","Chemical communications (Cambridge, England)","2026","62","37","9429","9432","10.1039/d6cc01221c","","","0.71073","MoKα","","0.0932","0.0737","","","0.1925","0.2125","","","","","","1.069","","","","has coordinates","306248","2026-06-05","18:15:06",""
"7135752","9.0236","0.0014","16.688","0.003","26.51","0.005","96.376","0.008","93.001","0.005","98.414","0.005","3915.1","1.2","298","","298","","","","","","","","","3","P -1","-P 1","2","","","","- C48 H40 O -","- C48 H40 O -","- C192 H160 O4 -","4","2","","Sahewal, Sakshi; Sharma, Suman; Mallick, Dibyendu; Das, Soumyajit","Substituent-induced modulation of proaromaticity in benzo-fused fluorenophenalene exhibiting a low-lying LUMO.","Chemical communications (Cambridge, England)","2026","62","37","9481","9485","10.1039/d6cc01746k","","x-ray","0.71073","MoKα","","0.1624","0.0905","","","0.2061","0.2396","","","","","","1.026","","","","has coordinates","306249","2026-06-05","18:15:09",""
"7135753","20.3531","0.0004","6.3271","0.0002","26.0541","0.0005","90","","90.101","0.002","90","","3355.14","0.14","130","2","130","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C22 H13 F3 N2 O -","- C22 H13 F3 N2 O -","- C176 H104 F24 N16 O8 -","8","1","","Sathyendran, Swetha; Moorthi, Vikraman Ganesh; Nokku, Sharmila; Joel, Aron Manick; Chandrasekaran, Suryanarayanan; Lin, Wei-Yu; Senadi, Gopal Chandru","Cu(OTf)<sub>2</sub>-catalyzed access to 2,4,5-trisubstituted imidazoles from acyclic Reissert compounds.","Chemical communications (Cambridge, England)","2026","62","38","9754","9758","10.1039/d6cc00157b","","x-ray","0.71073","MoKα","","0.0366","0.0322","","","0.0874","0.0896","","","","","","1.075","","","","has coordinates","306294","2026-06-05","18:24:04",""
"7135754","4.9899","0.0009","11.217","0.002","31.913","0.006","90","","90","","90","","1786.2","0.6","","","298","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Bruker","","- C24 H18 N O3 -","- C24 H18 N O3 -","- C96 H72 N4 O12 -","4","1","","Junaid, Mohammad; Yamini, Pokhriyal; Yadagiri, Dongari","Umpolung reactivity of <i>N</i>-sulfonylhydrazones and imino esters to access functionalized oxazoles.","Chemical communications (Cambridge, England)","2026","62","40","10230","10234","10.1039/d6cc01376g","","","0.71073","MoKα","","0.1038","0.073","","","0.1547","0.173","","","","","","1.0334","","","","has coordinates","306269","2026-06-05","18:20:40",""
"7135755","9.0372","0.0001","15.3324","0.0002","16.3225","0.0002","90","","90","","90","","2261.68","0.05","99.99","0.18","99.99","0.18","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H25 Br F3 N O6 -","- C22 H25 Br F3 N O6 -","- C88 H100 Br4 F12 N4 O24 -","4","1","","Nandi, Rhituparna; Biswas, Souvik; Sadhukhan, Sreyashi; Das, Apurba; Bisai, Alakesh","Total synthesis of (+)-xiamycin G <i>via</i> acetanilide-assisted two-fold Csp<sup>2</sup>-H functionalization.","Chemical communications (Cambridge, England)","2026","62","41","10455","10458","10.1039/d6cc00441e","","x-ray","1.54184","CuKα","","0.0315","0.0298","","","0.0732","0.0764","","","","","","1.106","","","","has coordinates","306254","2026-06-05","18:16:41",""
"7135756","14.999","0.002","6.795","0.0009","19.182","0.003","90","","92.074","0.005","90","","1953.7","0.5","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","AB","","- C40 H48 Br2 N2 O12 -","- C40 H48 Br2 N2 O12 -","- C80 H96 Br4 N4 O24 -","2","1","","Nandi, Rhituparna; Biswas, Souvik; Sadhukhan, Sreyashi; Das, Apurba; Bisai, Alakesh","Total synthesis of (+)-xiamycin G <i>via</i> acetanilide-assisted two-fold Csp<sup>2</sup>-H functionalization.","Chemical communications (Cambridge, England)","2026","62","41","10455","10458","10.1039/d6cc00441e","","","0.71073","MoKα","","0.0482","0.042","","","0.1236","0.1294","","","","","","1.051","","","","has coordinates","306254","2026-06-05","18:16:41",""
"7135757","13.2095","0.0008","7.0242","0.0004","22.2707","0.0013","90","","101.622","0.002","90","","2024","0.2","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-((3r,5r,7r)-adamantan-1-yl)-3-(2,2-difluoro-1-phenylvinyl)-1H-indole","","- C26 H25 F2 N -","- C26 H25 F2 N -","- C104 H100 F8 N4 -","4","1","","Zhang, Jingxuan; Zhao, Haixia; Pu, Yue; Tang, Kaijie; Chen, He; Huang, Qihang; Chen, Chen; Wang, Jian","Construction of <i>gem</i>-difluoroalkenyl indoles <i>via</i> photoinduced Fukuyama-type cyclization of isocyanides.","Chemical communications (Cambridge, England)","2026","62","39","9988","9992","10.1039/d6cc01526c","","x-ray","0.71073","MoKα","","0.0954","0.0621","","","0.1249","0.1395","","","","","","1.051","","","","has coordinates","306261","2026-06-05","18:18:08",""
"7135758","17.197","0.003","18.846","0.004","19.143","0.004","76.9","0.03","85.27","0.03","89.25","0.03","6022","2","120","","120","","","","","","","","","4","P -1","-P 1","2","C126H48O12F60(C6H12)","","","- C132 H60 F60 O12 -","- C132 H60 F60 O12 -","- C264 H120 F120 O24 -","2","1","","Onishi, Katsuto; Ohtani, Shunsuke; Kato, Kenichi; Akine, Shigehisa; Ogoshi, Tomoki","Supramolecular Glass Formation by Arene–Perfluoroarene Pairing of Three-Dimensional Macrocycles","Chemical Communications","2026","","","","","10.1039/D6CC01163B","","","1.54178","CuKα","","0.2423","0.1337","","","0.3303","0.39","","","","","","1.889","","","","has coordinates,has disorder","305605","2026-04-23","22:30:52",""
"7135759","27.4224","0.0006","27.4224","0.0006","34.2315","0.0013","90","","90","","120","","22292.9","1.1","100","","100","","","","","","","","","3","P 6 c c","P 6 -2c","184","C126H108O12(C6H12)3","","","- C144 H144 O12 -","- C144.001 H144.002 O12 -","- C1152.01 H1152.01 O96 -","8","0.666667","","Onishi, Katsuto; Ohtani, Shunsuke; Kato, Kenichi; Akine, Shigehisa; Ogoshi, Tomoki","Supramolecular Glass Formation by Arene–Perfluoroarene Pairing of Three-Dimensional Macrocycles","Chemical Communications","2026","","","","","10.1039/D6CC01163B","","","1.54178","CuKα","","0.1714","0.1245","","","0.2889","0.3235","","","","","","1.761","","","","has coordinates,has disorder","305605","2026-04-23","22:30:52",""
"7135760","7.1812","0.0002","21.2592","0.0006","11.2046","0.0003","90","","91.832","0.002","90","","1709.69","0.08","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H17 F3 O S -","- C18 H17 F3 O S -","- C72 H68 F12 O4 S4 -","4","2","","Xu, Heyang; Wu, Zhixian; Shan, Jing-Ran; Shi, Lei","Diastereoselective synthesis of β-hydroxy allylic tertiary sulfides <i>via</i> nickel/photoredox cooperative catalysis.","Chemical communications (Cambridge, England)","2026","62","39","9927","9931","10.1039/d6cc01783e","","","1.54184","CuKα","","0.05","0.046","","","0.1266","0.1359","","","","","","1.09","","","","has coordinates","306262","2026-06-05","18:18:11",""
"7135761","20.5157","0.0004","20.6039","0.0004","25.6521","0.0005","90","","95.965","0.002","90","","10784.5","0.4","100","0.3","100","0.3","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C66 H148 N8 O32 V12 -","- C66 H148 N8 O32 V12 -","- C264 H592 N32 O128 V48 -","4","1","","Firdausiah, Syadza; Iwai, Hiroya; Kikukawa, Yuji","Supramolecular catalysis by the inside of a bowl-type dodecavanadate for cyanamide dimerization.","Chemical communications (Cambridge, England)","2026","62","40","10180","10183","10.1039/d6cc00968a","","","0.71073","MoKα","","0.13","0.0897","","","0.2686","0.3149","","","","","","1.028","","","","has coordinates","306267","2026-06-05","18:20:31",""
"7135762","20.0162","0.0001","20.0162","0.0001","56.3966","0.0004","90","","90","","90","","22595.2","0.2","100","0.1","100","0.1","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C76 H176 N6 O37 S4 V12 -","- C76 H176 N6 O37 S4 V12 -","- C608 H1408 N48 O296 S32 V96 -","8","1","","Firdausiah, Syadza; Iwai, Hiroya; Kikukawa, Yuji","Supramolecular catalysis by the inside of a bowl-type dodecavanadate for cyanamide dimerization.","Chemical communications (Cambridge, England)","2026","62","40","10180","10183","10.1039/d6cc00968a","","","1.54184","CuKα","","0.0931","0.0839","","","0.2221","0.2316","","","","","","1.041","","","","has coordinates","306267","2026-06-05","18:20:31",""
"7135763","16.892","","10.153","","19.34","","90","","98.77","","90","","3278.12","","296.15","","296.15","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C37 H40 Br N O2 -","- C37 H40 Br N O2 -","- C148 H160 Br4 N4 O8 -","4","2","","Wu, Haijian; Sun, Manman; Wang, Zhiming; Yang, Jianguo; Zhu, Gangguo","HFIP-promoted strain-release rearrangement/<i>N</i>-functionalization of azabicyclo[1.1.0]butanes with <i>para</i>-quinone methides for the synthesis of azetidines.","Chemical communications (Cambridge, England)","2026","62","39","9964","9968","10.1039/d6cc01195k","","","0.71073","MoKα","","0.2907","0.1236","","","0.2723","0.3323","","","","","","0.992","","","","has coordinates","306260","2026-06-05","18:18:03",""
"7135764","9.7604","0.0005","31.8875","0.0015","10.866","0.0004","90","","109.571","0.002","90","","3186.5","0.3","200","","200","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C37 H47 N O2 -","- C37 H47 N O2 -","- C148 H188 N4 O8 -","4","1","","Wu, Haijian; Sun, Manman; Wang, Zhiming; Yang, Jianguo; Zhu, Gangguo","HFIP-promoted strain-release rearrangement/<i>N</i>-functionalization of azabicyclo[1.1.0]butanes with <i>para</i>-quinone methides for the synthesis of azetidines.","Chemical communications (Cambridge, England)","2026","62","39","9964","9968","10.1039/d6cc01195k","","","1.34138","GaKα","","0.0814","0.0595","","","0.165","0.1784","","","","","","1.093","","","","has coordinates","306260","2026-06-05","18:18:03",""
"7135765","12.2137","0.0005","16.3186","0.0006","17.2412","0.0006","90","","110.72","0.001","90","","3214.1","0.2","200","","200","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C38 H43 N O2 -","- C38 H43 N O2 -","- C152 H172 N4 O8 -","4","1","","Wu, Haijian; Sun, Manman; Wang, Zhiming; Yang, Jianguo; Zhu, Gangguo","HFIP-promoted strain-release rearrangement/<i>N</i>-functionalization of azabicyclo[1.1.0]butanes with <i>para</i>-quinone methides for the synthesis of azetidines.","Chemical communications (Cambridge, England)","2026","62","39","9964","9968","10.1039/d6cc01195k","","","1.34138","GaKα","","0.0642","0.0557","","","0.1664","0.1753","","","","","","1.071","","","","has coordinates","306260","2026-06-05","18:18:03",""
"7135766","16.9893","0.0006","16.9893","0.0006","33.1773","0.0013","90","","90","","120","","8293.2","0.5","273.15","","273.15","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C47 H78 Cl6 N7 Sb -","- C47 H77.9997 Cl6 N7 Sb -","- C282 H467.998 Cl36 N42 Sb6 -","6","0.333333","","Cui, Haixia; Yan, Guanyu; Li, Wanjiao; Du, Xueqin; Liu, Jinshuo; Liu, Shujuan; Zhao, Qiang","High-performance X-ray imaging enabled by <i>in situ</i> recrystallized antimony(III)-based halide glass-ceramics.","Chemical communications (Cambridge, England)","2026","62","40","10166","10170","10.1039/d6cc01359g","","","0.71073","MoKα","","0.0548","0.0434","","","0.129","0.1345","","","","","","1.103","","","","has coordinates,has disorder","306272","2026-06-05","18:21:03",""
"7135767","9.997","","20.391","","9.256","","90","","99.38","","90","","1861.6","","296.15","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 Cl N2 S -","- C22 H17 Cl N2 S -","- C88 H68 Cl4 N8 S4 -","4","1","","Chen, Jiehao; Li, Jiaqi; Yu, Wanyue; Xiao, Xiangrong; Ren, Weijie; Li, Huanying; Chen, Xiuwen; Zhu, Zhongzhi","Base- Mediated [2+4] Annulation of Benzothiazolium Salts and 2-Aminobenzaldehydes: Selective Synthesis of 2-Amino and 2-Thio- Substituted Quinolines","Chemical Communications","2026","","","","","10.1039/D6CC00636A","","","0.71073","MoKα","","0.0953","0.054","","","0.1242","0.1443","","","","","","1.077","","","","has coordinates","305640","2026-04-28","21:58:30",""
"7135768","13.9664","0.0003","26.9373","0.0005","10.8779","0.0003","90","","99.805","0.002","90","","4032.67","0.16","298","0.7","298","0.7","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H30 Br4 N4 S2 -","- C44 H30 Br4 N4 S2 -","- C176 H120 Br16 N16 S8 -","4","1","","Chen, Jiehao; Li, Jiaqi; Yu, Wanyue; Xiao, Xiangrong; Ren, Weijie; Li, Huanying; Chen, Xiuwen; Zhu, Zhongzhi","Base- Mediated [2+4] Annulation of Benzothiazolium Salts and 2-Aminobenzaldehydes: Selective Synthesis of 2-Amino and 2-Thio- Substituted Quinolines","Chemical Communications","2026","","","","","10.1039/D6CC00636A","","x-ray","1.54184","CuKα","","0.0893","0.0734","","","0.1983","0.2114","","","","","","1.042","","","","has coordinates","305640","2026-04-28","21:58:30",""
"7135769","9.4413","0.0003","9.4413","0.0003","11.6355","0.0007","90","","90","","120","","898.21","0.07","293","2","293","2","","","","","","","","5","P 63","P 6c","173","","","","- Cl Na S10 Si3 Sr4 -","- Cl Na S10 Si3 Sr4 -","- Cl2 Na2 S20 Si6 Sr8 -","2","0.333333","","Wang, Puxuan; Wang, Youbin; Wu, Hongping; Hu, Zhanggui; Wang, Jiyang; Wu, Yicheng; Yu, Hongwei","Effect of the cation-to-silicon ratio on structural transformation and optical performance in [NaSr<sub>3</sub>Cl<sub>3</sub>][SiS<sub>4</sub>] and [NaSr<sub>4</sub>SCl][Si<sub>3</sub>S<sub>9</sub>].","Chemical communications (Cambridge, England)","2026","62","40","10193","10196","10.1039/d6cc00643d","","","0.71073","MoKα","","0.0488","0.0381","","","0.105","0.112","","","","","","1.12","","","","has coordinates","306268","2026-06-05","18:20:36",""
"7135770","9.0129","0.0008","11.036","0.001","12.6681","0.001","90","","108.085","0.002","90","","1197.8","0.18","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- Cl3 Na S4 Si Sr3 -","- Cl3 Na S4 Si Sr3 -","- Cl12 Na4 S16 Si4 Sr12 -","4","1","","Wang, Puxuan; Wang, Youbin; Wu, Hongping; Hu, Zhanggui; Wang, Jiyang; Wu, Yicheng; Yu, Hongwei","Effect of the cation-to-silicon ratio on structural transformation and optical performance in [NaSr<sub>3</sub>Cl<sub>3</sub>][SiS<sub>4</sub>] and [NaSr<sub>4</sub>SCl][Si<sub>3</sub>S<sub>9</sub>].","Chemical communications (Cambridge, England)","2026","62","40","10193","10196","10.1039/d6cc00643d","","","0.71073","MoKα","","0.1071","0.0507","","","0.0821","0.0986","","","","","","0.99","","","","has coordinates","306268","2026-06-05","18:20:36",""
"7135771","10.2035","0.0006","10.3335","0.0008","11.6404","0.0008","94.054","0.006","105.675","0.005","95.557","0.005","1170.12","0.14","149.95","0.1","149.95","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C32 H25 N -","- C32 H25 N -","- C64 H50 N2 -","2","1","","Yang, Qianzhi; Kong, Xuguang; Liu, Xin; Liu, Qixing; Zuo, Linhong; Zhou, Haifeng","Mechanochemical NH<sub>4</sub>Cl-mediated hydrogen-bonding network reconstruction of HFIP: enabling yne-allylic substitutions.","Chemical communications (Cambridge, England)","2026","62","40","10244","10248","10.1039/d6cc01632d","","x-ray","1.54184","CuKα","","0.0758","0.0659","","","0.1775","0.1856","","","","","","1.047","","","","has coordinates","306270","2026-06-05","18:20:53",""
"7135772","8.11233","0.00011","12.0196","0.00015","19.7303","0.0002","90","","90","","90","","1923.84","0.04","100","0.1","100","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C8 H24 Cl7 In0.87 N4 Sb0.13 -","- C8 H24 Cl7 In0.87 N4 Sb0.13 -","- C32 H96 Cl28 In3.48 N16 Sb0.52 -","4","1","","Li, Xiaoqi; Yang, Suo; Tao, Min; Xiao, Yin","Sb<sup>3+</sup>-doped indium-based halides with near-unity photoluminescence quantum yield and circularly olarized luminescence.","Chemical communications (Cambridge, England)","2026","62","39","9918","9921","10.1039/d6cc01623e","","x-ray","1.54184","CuKα","","0.0151","0.015","","","0.0408","0.0409","","","","","","0.99","","","","has coordinates,has disorder","306263","2026-06-05","18:18:14",""
"7135773","8.11759","0.0001","12.03256","0.00015","19.7316","0.0004","90","","90","","90","","1927.29","0.05","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H24 Cl7 In N4 -","- C8 H24 Cl7 In N4 -","- C32 H96 Cl28 In4 N16 -","4","1","","Li, Xiaoqi; Yang, Suo; Tao, Min; Xiao, Yin","Sb<sup>3+</sup>-doped indium-based halides with near-unity photoluminescence quantum yield and circularly olarized luminescence.","Chemical communications (Cambridge, England)","2026","62","39","9918","9921","10.1039/d6cc01623e","","x-ray","0.71073","MoKα","","0.0259","0.0238","","","0.0441","0.0446","","","","","","1.006","","","","has coordinates","306263","2026-06-05","18:18:14",""
"7135774","12.5924","0.0011","29.4736","0.0018","36.5786","0.0013","90","","90","","90","","13575.9","1.5","190","1","190","1","","","","","","","","7","P b c n","-P 2n 2ab","60","","Cd6Eu4-polymer","","- C39 H65 Cd3 Cl6 Eu2 N7 O19 -","- C39 H65 Cd3 Cl6 Eu2 N7 O19 -","- C312 H520 Cd24 Cl48 Eu16 N56 O152 -","8","1","","Song, Jinshuai; Zhang, Shuhan; Wang, Shi-Qing; Schipper, Desmond; Yang, Xiaoping","Construction of a Cd<sub>6</sub>Eu<sub>4</sub>-containing coordination polymer for luminescence detection of ketoprofen as an anti-inflammatory drug.","Chemical communications (Cambridge, England)","2026","62","41","10450","10454","10.1039/d6cc01054g","","","0.71073","MoKα","","0.1778","0.0903","","","0.222","0.2474","","","","","","1.046","","","","has coordinates","306256","2026-06-05","18:17:02",""
"7135775","8.74","0.003","21.397","0.007","7.686","0.003","90","","100.897","0.009","90","","1411.4","0.9","297","2","297","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 N3 O5 -","- C14 H13 N3 O5 -","- C56 H52 N12 O20 -","4","1","","Verma, Kshitiz; Saha, Sharajit; Bhattacharyya, Hemanga; Roy, Sajal; Punniyamurthy, Tharmalingam","Rh-catalyzed C-H allylation and annulation of N-arylpyrazolidinones with MBH adducts","Chemical Communications","2026","","","","","10.1039/D6CC01732K","","","0.71073","MoKα","","0.0503","0.0414","","","0.0948","0.1035","","","","","","1.059","","","","has coordinates","305683","2026-05-01","21:57:16",""
"7135776","14.2658","0.0005","9.9649","0.0004","17.1301","0.0006","90","","110.444","0.004","90","","2281.79","0.16","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 B F6 N3 -","- C24 H24 B F6 N3 -","- C96 H96 B4 F24 N12 -","4","1","","Swami, Sonia; Saroj, Harshita; Jaiswal, Ritika; Adachi, Yohei; Roy, Aniruddha; Oshita, Joji; Arora, Pankaj; Grover, Nitika","<i>meso</i>-Substitution controlled synthesis of BODIPY-DPM conjugates: a pathway to tailored photophysical properties.","Chemical communications (Cambridge, England)","2026","62","41","10496","10499","10.1039/d6cc01186a","","x-ray","0.71073","MoKα","","0.06","0.0429","","","0.1247","0.1356","","","","","","1.098","","","","has coordinates","306255","2026-06-05","18:16:52",""
"7135777","8.0567","0.0006","15.9953","0.0007","44.136","0.002","90","","93.047","0.004","90","","5679.7","0.6","100.15","","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C78 H62 O3 -","- C78 H62 O3 -","- C312 H248 O12 -","4","1","","Seankongsuk, Pattarakiat; Vacek, Martin; Rybáček, Jiří; Vacek, Jaroslav; Kutsenka, Katsiaryna; Bednárová, Lucie; Pohl, Radek; Císařová, Ivana; Stará, Irena G; Starý, Ivo","Triptycene-grafted helicenes: modular synthesis and key properties.","Chemical communications (Cambridge, England)","2026","62","33","8426","8430","10.1039/d5cc06240c","","x-ray","1.54178","CuKα","","0.1368","0.1342","","","0.3248","0.3258","","","","","","1.19","","","","has coordinates,has disorder","305694","2026-05-04","00:41:30",""
"7135778","7.9816","0.0004","10.6623","0.0005","11.8043","0.0005","106.078","0.002","109.297","0.002","96.22","0.002","888.65","0.07","296.15","","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C23 H15 Br N2 -","- C23 H15 Br N2 -","- C46 H30 Br2 N4 -","2","1","","Mao, Yangxin; Qiu, Shaotong; Wang, Xinlei; Shangguan, Yimin; Liu, Jiangan; Yang, Zhicheng; Zhao, Yun-Hui; Li, Xiaofang; Zheng, Baishu; Zhou, Hu","Catalyst-free synthesis of pyrazolo[5,1-<i>a</i>]isoquinolines from hydrazine hydrate.","Chemical communications (Cambridge, England)","2026","62","29","7563","7566","10.1039/d6cc00525j","","","0.71073","MoKα","","0.0407","0.0332","","","0.0845","0.0883","","","","","","1.049","","","","has coordinates","305695","2026-05-04","00:42:32",""
"7135779","15.327","0.002","15.559","0.002","33.396","0.004","98.977","0.005","93.488","0.005","105.655","0.005","7530.2","1.7","173","","173","","","","","","","","","2","P -1","-P 1","2","","","","- C110 H68 -","- C110 H68 -","- C330 H204 -","3","1.5","","Zhang, Dongmei; Lan, Kai; Zhang, Xiaobo; Jiang, Jiyong; Cheng, Chuyang","Light-driven controllable <i>cis</i>-<i>trans</i> isomerization in a cycloparaphenylene dimer bridged by 9,9'-bifluorenylidene.","Chemical communications (Cambridge, England)","2026","62","29","7584","7588","10.1039/d6cc00869k","","","1.34139","GaKα","","0.273","0.1706","","","0.3454","0.4057","","","","","","0.92","","","","has coordinates,has disorder","305696","2026-05-04","00:42:55",""
"7135780","27.0719","0.0007","27.2412","0.0007","60.1979","0.0016","90","","90","","90","","44394","2","170","","170","","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C110 H68 -","- C110 H68 -","- C1760 H1088 -","16","2","","Zhang, Dongmei; Lan, Kai; Zhang, Xiaobo; Jiang, Jiyong; Cheng, Chuyang","Light-driven controllable <i>cis</i>-<i>trans</i> isomerization in a cycloparaphenylene dimer bridged by 9,9'-bifluorenylidene.","Chemical communications (Cambridge, England)","2026","62","29","7584","7588","10.1039/d6cc00869k","","","1.34139","GaKα","","0.2788","0.1884","","","0.3908","0.4487","","","","","","0.885","","","","has coordinates","305696","2026-05-04","00:42:55",""
"7135781","9.8111","0.0003","7.4763","0.0002","12.2064","0.0004","90","","96.802","0.001","90","","889.05","0.05","193","","193","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H14 N2 O3 S -","- C21 H14 N2 O3 S -","- C42 H28 N4 O6 S2 -","2","1","","Wang, Juelian; Wei, Yue; Yang, Yihuan; Bai, Guishun; Hua, Yi; Chen, Jianwei; Wang, Hong; Bonne, Damien; Bao, Xiaoze","Enantioselective construction of chiral quinoline scaffold <i>via</i> a Michael addition/<i>O</i>-alkylation sequence.","Chemical communications (Cambridge, England)","2026","62","29","7580","7583","10.1039/d6cc00882h","","x-ray","1.54178","CuKα","","0.0286","0.0278","","","0.0734","0.0737","","","","","","1.031","","","","has coordinates","305697","2026-05-04","00:43:06",""
"7135782","7.1629","0.0004","7.8641","0.0004","11.2471","0.0006","103.649","0.002","95.695","0.002","113.196","0.002","552.63","0.05","170","","170","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H11 N O2 -","- C13 H11 N O2 -","- C26 H22 N2 O4 -","2","1","","Qiu, Xiao-Dong; Lu, Jun; Qu, Da-Hui; Tong, Fei","Aspect ratio-dependent twisting motions in photomechanical molecular crystal ribbons <i>via</i> solid-state [2+2] photodimerization.","Chemical communications (Cambridge, England)","2026","62","32","8225","8229","10.1039/d6cc00116e","","","1.34139","GaKα","","0.0559","0.0481","","","0.1301","0.1374","","","","","","1.071","","","","has coordinates","305698","2026-05-04","00:46:26",""
"7135783","7.4552","0.0008","7.625","0.0006","11.4156","0.0008","72.773","0.006","89.286","0.008","70.571","0.007","581.85","0.09","298","","298","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H22 N2 O4 -","- C26 H22 N2 O4 -","- C26 H22 N2 O4 -","1","0.5","","Qiu, Xiao-Dong; Lu, Jun; Qu, Da-Hui; Tong, Fei","Aspect ratio-dependent twisting motions in photomechanical molecular crystal ribbons <i>via</i> solid-state [2+2] photodimerization.","Chemical communications (Cambridge, England)","2026","62","32","8225","8229","10.1039/d6cc00116e","","x-ray","1.54178","CuKα","","0.1245","0.0886","","","0.2453","0.2946","","","","","","1.017","","","","has coordinates","305698","2026-05-04","00:46:26",""
"7135784","9.1895","0.0005","9.7786","0.0005","22.931","0.001","80.55","0.002","86.176","0.002","78.805","0.002","1992.66","0.17","273.15","","273.15","","","","","","","","","7","P -1","-P 1","2","","","","- C38 H51 F3 K N3 O9 S -","- C38 H51 F3 K N3 O9 S -","- C76 H102 F6 K2 N6 O18 S2 -","2","1","","Yorkgitis, Patrick; Abdellaoui, Mehdi; Bertrand, Guy","Generation of mono(amino)carbenes from <i>N</i>-triftosyl amino hydrazonates with blue light.","Chemical communications (Cambridge, England)","2026","62","30","7808","7811","10.1039/d6cc01379a","","x-ray","0.71073","MoKα","K-L~3~","0.0405","0.0322","","","0.0727","0.0764","","","","","","1.018","","","","has coordinates","305699","2026-05-04","00:46:41",""
"7135785","5.329","0.0002","21.659","0.001","18.7684","0.0009","90","","92.958","0.002","90","","2163.38","0.17","294","2","294","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C11 H13 N5 O -","- C11 H13 N5 O -","- C88 H104 N40 O8 -","8","2","","Mondal, Anup Kumar; Masal, Dattatraya P.; Reddy, D. Srinivasa","Total synthesis of (±)-cyclopeltain B.","Chemical communications (Cambridge, England)","2026","62","30","7839","7842","10.1039/d6cc00023a","","","1.54184","CuKα","","0.0556","0.0408","","","0.1037","0.107","","","","","","1.111","","","","has coordinates,has disorder","305700","2026-05-04","00:47:26",""
"7135786","19.8915","0.0002","8.6386","0.0001","23.0531","0.0003","90","","110.431","0.001","90","","3712.13","0.08","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 N2 O3 S -","- C22 H18 N2 O3 S -","- C176 H144 N16 O24 S8 -","8","2","","Aravindakshan, Sreejith K.; Sibil M P, Muhammad; Achath, Jayalakshmi; Varughese, Sunil; Mathew, Jomon; John, Jubi","Lewis acid-promoted annulation of electron-deficient indoles toward indoloindoles and higher fused architectures.","Chemical communications (Cambridge, England)","2026","62","31","7974","7978","10.1039/d6cc01297c","","x-ray","1.54184","CuKα","","0.0461","0.0383","","","0.1064","0.1135","","","","","","1.038","","","","has coordinates","305701","2026-05-04","00:48:22",""
"7135787","8.0257","0.0002","17.3835","0.0004","14.1011","0.0003","90","","97.503","0.001","90","","1950.47","0.08","298","","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H18 N2 O2 S -","- C25 H18 N2 O2 S -","- C100 H72 N8 O8 S4 -","4","1","","Aravindakshan, Sreejith K.; Sibil M P, Muhammad; Achath, Jayalakshmi; Varughese, Sunil; Mathew, Jomon; John, Jubi","Lewis acid-promoted annulation of electron-deficient indoles toward indoloindoles and higher fused architectures.","Chemical communications (Cambridge, England)","2026","62","31","7974","7978","10.1039/d6cc01297c","","","0.71073","MoKα","","0.0441","0.04","","","0.1045","0.1069","","","","","","1.033","","","","has coordinates","305701","2026-05-04","00:48:22",""
"7135788","10.3209","0.0002","11.6795","0.0002","17.3932","0.0003","90","","97.822","0.001","90","","2077.12","0.06","273","2","273.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H27 N O3 -","- C25 H27 N O3 -","- C100 H108 N4 O12 -","4","1","","Wang, Xu-Yang; Wang, Can; Ma, Yong-Min; Zhao, Peng","Iodine-photoredox dual catalysis unlocks bifunctional reactivity of α-diazoesters in radical cascade cyclization reactions <i>via</i> remote C-I bond dissociation.","Chemical communications (Cambridge, England)","2026","62","41","10515","10519","10.1039/d6cc02172g","","","1.54178","CuKα","","0.0588","0.0562","","","0.1438","0.1464","","","","","","1.063","","","","has coordinates","306253","2026-06-05","18:16:26",""
"7135789","21.073","0.003","18.348","0.003","5.8282","0.0009","90","","90","","90","","2253.5","0.6","296","2","296","2","","","","","","","","5","A m a 2","A 2 -2a","40","","","","- C6 H2 N O4 Zn -","- C6 H3 N O4 Zn -","- C48 H24 N8 O32 Zn8 -","8","1","","Han, Xuan; Wang, Wei; Zhu, Jinli; Wang, Jin; Zhang, Mingxing","Linker-curvature stabilized Zn-rod framework with inverted C2 hydrocarbon adsorption.","Chemical communications (Cambridge, England)","2026","62","41","10437","10440","10.1039/d6cc01008c","","","0.71073","MoKα","","0.0849","0.0786","","","0.2275","0.2397","","","","","","1.07","","","","has coordinates","306252","2026-06-05","18:16:17",""
"7135790","11.1136","0.0011","29.324","0.002","10.995","0.001","90","","117.575","0.003","90","","3176.2","0.5","296","2","296","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C28 H40 Eu N5 O11 -","- C28 H36 Eu N5 O11 -","- C112 H144 Eu4 N20 O44 -","4","1","","Glover, Peter B.; Senkiw-Smith, Lauren; Ruston, Linette L.; Kariuki, Benson M.; Pikramenou, Zoe","Lanthanide tweezer complexes for luminescence detection of aromatic pollutants in water.","Chemical communications (Cambridge, England)","2026","62","40","10189","10192","10.1039/d6cc00925e","","","0.71069","MoKα","","0.0485","0.0449","","","0.1084","0.1103","","","","","","1.054","","","","has coordinates","306271","2026-06-05","18:20:58",""
"7135791","49.451","0.004","13.7239","0.0007","23.828","0.002","90","","99.982","0.002","90","","15926","2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C58 H94 Eu2 N10 O31 -","- C58.003 H72.006 Eu2 N10 O31.001 -","- C464.024 H576.048 Eu16 N80 O248.008 -","8","1","","Glover, Peter B.; Senkiw-Smith, Lauren; Ruston, Linette L.; Kariuki, Benson M.; Pikramenou, Zoe","Lanthanide tweezer complexes for luminescence detection of aromatic pollutants in water.","Chemical communications (Cambridge, England)","2026","62","40","10189","10192","10.1039/d6cc00925e","","","0.71069","MoKα","","0.0833","0.0547","","","0.149","0.1583","","","","","","1.066","","","","has coordinates","306271","2026-06-05","18:20:58",""
"7135792","14.4732","0.0008","14.7769","0.0009","21.7868","0.0013","86.256","0.003","76.813","0.003","72.975","0.003","4337.8","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C78.22 H86.13 B3 F24 N13 U -","- C78.22 H86.128 B3 F24 N13 U -","- C156.44 H172.256 B6 F48 N26 U2 -","2","1","","Huerfano, I. J.; Quinn, Tate M.; Kangmennaa, Ahmed; Zeller, Matthias; Bart, Suzanne C.","Proton-coupled electron transfer driven by coordination-induced bond weakening at a trivalent uranium center.","Chemical communications (Cambridge, England)","2026","62","39","9983","9987","10.1039/d6cc01484d","","","1.54178","CuKα","","0.0522","0.0426","","","0.1062","0.109","","","","","","1.064","","","","has coordinates,has disorder","306264","2026-06-05","18:18:18",""
"7135793","10.1778","0.0004","5.2062","0.0002","21.0514","0.0008","90","","97.125","0.001","90","","1106.85","0.07","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H13 N5 O2 -","- C10 H13 N5 O2 -","- C40 H52 N20 O8 -","4","1","","Kukreja, Sonali; K, Anupama; Dharavath, Srinivas","Can cyclopropyl ring serve as energetic moiety? A structural and reactivity perspective.","Chemical communications (Cambridge, England)","2026","62","42","10718","10722","10.1039/d6cc02173e","","","0.71073","MoKα","","0.0453","0.0379","","","0.1078","0.1239","","","","","","1.107","","","","has coordinates","306258","2026-06-05","18:17:37",""
"7135794","5.1034","0.0002","10.0245","0.0005","11.6245","0.0005","68.395","0.001","83.137","0.002","82.244","0.002","546.28","0.04","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C10 H13 N5 O3 -","- C10 H13 N5 O3 -","- C20 H26 N10 O6 -","2","1","","Kukreja, Sonali; K, Anupama; Dharavath, Srinivas","Can cyclopropyl ring serve as energetic moiety? A structural and reactivity perspective.","Chemical communications (Cambridge, England)","2026","62","42","10718","10722","10.1039/d6cc02173e","","","0.71073","MoKα","","0.0777","0.0517","","","0.1384","0.1594","","","","","","1.054","","","","has coordinates","306258","2026-06-05","18:17:37",""
"7135795","9.0908","0.0003","9.539","0.0004","9.962","0.0003","91.586","0.003","100.371","0.003","96.622","0.003","843.06","0.05","301.54","0.1","301.54","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C19 H16 F2 N2 O2 -","- C19 H16 F2 N2 O2 -","- C38 H32 F4 N4 O4 -","2","1","","Li, Jingli; Chen, Maizhuo; Li, Ping; Yang, Tianyu; Wang, Junjiao; Huang, Danfeng; Zhang, Bo-Sheng; Wang, Ke-Hu; Hu, Yulai","[3+3] Annulation of vinyl sulfoxonium ylides and difluoroacetohydrazonoyl bromides for synthesis of 3-difluoromethyl 1,6-dihydropyridazine derivatives.","Chemical communications (Cambridge, England)","2026","62","42","10700","10703","10.1039/d6cc00502k","","x-ray","1.54184","CuKα","","0.0853","0.0751","","","0.2156","0.2265","","","","","","1.069","","","","has coordinates","306259","2026-06-05","18:17:46",""
"7135796","6.0296","0.0002","9.1187","0.0004","28.9024","0.0015","90","","92.846","0.004","90","","1587.16","0.12","301.62","0.1","301.62","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 F2 N2 O2 -","- C18 H14 F2 N2 O2 -","- C72 H56 F8 N8 O8 -","4","1","","Li, Jingli; Chen, Maizhuo; Li, Ping; Yang, Tianyu; Wang, Junjiao; Huang, Danfeng; Zhang, Bo-Sheng; Wang, Ke-Hu; Hu, Yulai","[3+3] Annulation of vinyl sulfoxonium ylides and difluoroacetohydrazonoyl bromides for synthesis of 3-difluoromethyl 1,6-dihydropyridazine derivatives.","Chemical communications (Cambridge, England)","2026","62","42","10700","10703","10.1039/d6cc00502k","","x-ray","1.54184","CuKα","","0.1166","0.0901","","","0.2567","0.2871","","","","","","1.097","","","","has coordinates,has disorder","306259","2026-06-05","18:17:46",""
"7135797","9.3261","0.0003","12.5443","0.0004","6.6892","0.0003","90","","107.904","0.001","90","","744.67","0.05","293","2","293","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- C20 H10 N4 -","- C20 H10 N4 -","- C40 H20 N8 -","2","0.25","","Pattanmarthodiyil, Fathima Thasnim; Hariharan, Mahesh","Unlocking Non-Kasha Room Temperature Phosphorescence in Azulene-based Cocrystal","Chemical Communications","2026","","","","","10.1039/D6CC00894A","","","0.71073","MoKα","","0.0359","0.032","","","0.0907","0.0941","","","","","","1.084","","","","has coordinates","305881","2026-05-06","22:01:02",""
"7135798","11.1292","0.0001","12.8003","0.0002","16.8233","0.0002","90","","90","","90","","2396.6","0.05","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H28 N2 O Si -","- C29 H28 N2 O Si -","- C116 H112 N8 O4 Si4 -","4","1","","Su, Lei; Gao, Shen; Liu, Jiawang","Nickel and Copper Co-catalysed Atroposelective C-Si Cross-Coupling to Axially Chiral Heterobiaryl Silanes","Chemical Communications","2026","","","","","10.1039/D6CC01681B","","","1.54184","CuKα","","0.0294","0.0273","","","0.0687","0.0696","","","","","","1.036","","","","has coordinates","305888","2026-05-07","21:55:51",""
"7135799","21.0365","0.0012","7.9263","0.0004","13.4019","0.0007","90","","90","","90","","2234.7","0.2","201","","201","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C26 H20 N2 O4 S -","- C26 H20 N2 O4 S -","- C104 H80 N8 O16 S4 -","4","1","","Fu, Wenting; Li, Sifeng; Li, Peng; Cheng, Bin; Zhang, Wenjun; Zhang, Ying; Zhou, Kang; Zhai, Hongbin; Wang, Taimin; Yang, Dezhi","Catalyst-Free Synthesis of α-Carboline Derivatives via Chromone Skeleton Remodeling","Chemical Communications","2026","","","","","10.1039/D6CC00960C","","","1.54178","CuKα","","0.0581","0.0445","","","0.1037","0.1148","","","","","","1.07","","","","has coordinates,has disorder","305909","2026-05-09","21:55:40",""
"7135800","12.3418","0.0005","8.5375","0.0004","29.6015","0.0012","90","","90","","90","","3119.1","0.2","200","","200","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H13 Br N2 O2 -","- C19 H13 Br N2 O2 -","- C152 H104 Br8 N16 O16 -","8","1","","Fu, Wenting; Li, Sifeng; Li, Peng; Cheng, Bin; Zhang, Wenjun; Zhang, Ying; Zhou, Kang; Zhai, Hongbin; Wang, Taimin; Yang, Dezhi","Catalyst-Free Synthesis of α-Carboline Derivatives via Chromone Skeleton Remodeling","Chemical Communications","2026","","","","","10.1039/D6CC00960C","","","1.54178","CuKα","","0.0488","0.04","","","0.1052","0.1123","","","","","","1.044","","","","has coordinates","305911","2026-05-09","21:55:47",""
"7135801","17.0112","0.0005","10.9345","0.0003","23.5496","0.0006","90","","104.293","0.002","90","","4244.8","0.2","200","","200","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H36 N4 O6 S2 -","- C42 H36 N4 O6 S2 -","- C168 H144 N16 O24 S8 -","4","1","","Fu, Wenting; Li, Sifeng; Li, Peng; Cheng, Bin; Zhang, Wenjun; Zhang, Ying; Zhou, Kang; Zhai, Hongbin; Wang, Taimin; Yang, Dezhi","Catalyst-Free Synthesis of α-Carboline Derivatives via Chromone Skeleton Remodeling","Chemical Communications","2026","","","","","10.1039/D6CC00960C","","","1.54178","CuKα","","0.0703","0.0527","","","0.1459","0.157","","","","","","1.042","","","","has coordinates","305912","2026-05-09","21:55:56",""
"7135802","10.478","0.002","14.544","0.003","14.623","0.003","80.817","0.015","73.45","0.017","83.659","0.017","2103.8","0.8","240","","240.15","","","","","","","","","6","P -1","-P 1","2","","","","- C103 H77 Cl3 N8 O6 Pd2 -","- C103 H77 Cl3 N8 O6 Pd2 -","- C103 H77 Cl3 N8 O6 Pd2 -","1","0.5","","Huang, Jieqing; Yang, Wenrui; Wen, Sijie; Zheng, Zenan; Chen, Xiaolin; Gan, Xiaofan; Xu, Ling; Jiang, Hua-Wei","Oxidative coupling of 3-ethoxy Pd II N-confused porphyrins with βdiketones using PIFA as the oxidant","Chemical Communications","2026","","","","","10.1039/D6CC01372D","","","1.54178","CuKα","","0.1612","0.0934","","","0.2381","0.3161","","","","","","1.151","","","","has coordinates,has disorder","305913","2026-05-09","21:56:05",""
"7135803","13.0937","0.0006","13.6141","0.0006","15.2325","0.0007","105.165","0.002","106.252","0.002","93.443","0.003","2489.9","0.2","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C55 H24 F20 N4 O3 Pd -","- C54 H24 F20 N5 O3 Pd -","- C108 H48 F40 N10 O6 Pd2 -","2","1","","Huang, Jieqing; Yang, Wenrui; Wen, Sijie; Zheng, Zenan; Chen, Xiaolin; Gan, Xiaofan; Xu, Ling; Jiang, Hua-Wei","Oxidative coupling of 3-ethoxy Pd II N-confused porphyrins with βdiketones using PIFA as the oxidant","Chemical Communications","2026","","","","","10.1039/D6CC01372D","","","1.54178","CuKα","","0.0772","0.0729","","","0.211","0.2173","","","","","","1.118","","","","has coordinates","305913","2026-05-09","21:56:05",""
"7135804","10.8575","0.0007","10.8827","0.0007","11.0362","0.0007","114.911","0.002","98.835","0.003","113.122","0.002","1005.01","0.12","298.15","","298.15","","","","","","","","","4","P -1","-P 1","2","","ethyl (Z)-8-benzylidene-3-phenyl-8H-pyrazolo[5,1-a]isoindole-2-carboxylate","","- C26 H20 N2 O2 -","- C26 H20 N2 O2 -","- C52 H40 N4 O4 -","2","1","","Li, Jiarong; Wang, He; Li, Chunbo; Sun, Jing; Wang, Xin; Sun, Ran; Li, Lei","Synthesis of pyrazolo[5,1-a]isoindoles via silver-mediated cascade cyclization of 1,5-enynes with diazo compounds","Chemical Communications","2026","","","","","10.1039/D6CC01160H","","","0.71073","MoKα","","0.0596","0.0436","","","0.1023","0.1127","","","","","","1.042","","","","has coordinates","305920","2026-05-11","21:57:00",""
"7135805","19.6392","0.0004","19.6392","0.0004","53.6698","0.0019","90","","90","","120","","17927","0.8","173","2","173","2","","","","","","","","4","P 65","P 65","170","","","","- C110 H62 Cl6 S12 -","- C110 H62 Cl6 S12 -","- C660 H372 Cl36 S72 -","6","1","","Clayton, Tara; Spaulding, Veronica R.; Davenport, Audrey; Zakharov, Lev; Brozek, Carl K.; Jasti, Ramesh","Redox-Active Multi-Thianthrene Cycloparaphenylenes: Synthesis and Supramolecular Properties","Chemical Communications","2026","","","","","10.1039/D6CC01951J","","","1.54178","CuKα","","0.1053","0.0717","","","0.1832","0.2059","","","","","","1.028","","","","has coordinates","305921","2026-05-11","21:57:09",""
"7135806","34.636","0.007","16.348","0.003","20.073","0.004","90","","92.404","0.005","90","","11356","4","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","CuN3_Complex","","- C124 H150 Cu F6 N8 O7 P -","- C124 H150 Cu F6 N8 O7 P -","- C496 H600 Cu4 F24 N32 O28 P4 -","4","1","","Zhang, Yan; Yau, Hei Tung; Chen, Qi-Fa; Deng, Yulin; Ying, Zhuoliang; Lee, Seungkyu; Au-Yeung, Ho Yu; Tse, Edmund C. M.","Tuning the Interlocking in Partially Saturated Copper(I) Rotaxane Complexes for O2-to-H2O Electrocatalytic Reduction","Chemical Communications","2026","","","","","10.1039/D6CC02558G","","","0.71073","MoKα","","0.1874","0.15","","","0.3039","0.3263","","","","","","1.223","","","","has coordinates","305935","2026-05-12","21:55:44",""
"7135807","14.1927","0.001","16.1321","0.001","27.927","0.002","90.618","0.005","104.435","0.005","108.908","0.004","5828.8","0.7","100","","100","","","","","","","","","7","P -1","-P 1","2","","4C_CuRot","","- C126 H160 Cu F6 N6 O9 P -","- C126 H160 Cu F6 N6 O9 P -","- C252 H320 Cu2 F12 N12 O18 P2 -","2","1","","Zhang, Yan; Yau, Hei Tung; Chen, Qi-Fa; Deng, Yulin; Ying, Zhuoliang; Lee, Seungkyu; Au-Yeung, Ho Yu; Tse, Edmund C. M.","Tuning the Interlocking in Partially Saturated Copper(I) Rotaxane Complexes for O2-to-H2O Electrocatalytic Reduction","Chemical Communications","2026","","","","","10.1039/D6CC02558G","","","1.54178","CuKα","","0.1262","0.0767","","","0.1886","0.2189","","","","","","1.024","","","","has coordinates","305935","2026-05-12","21:55:44",""
"7135808","10.0394","0.001","10.3187","0.001","18.7993","0.0019","90","","96.115","0.005","90","","1936.4","0.3","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 Br Cl I N O -","- C20 H16 Br Cl I N O -","- C80 H64 Br4 Cl4 I4 N4 O4 -","4","1","","Liu, Jiyao; Zhu, Junyi; Yao, Qiru; Yang, Jiang; Chen, Xingyue; Liu, Xiaoqin; Rong, Liangce","Dihalogenation/Cyclization Reactions of Bicyclo[1.1.0]butane-1-carboxamide: Rapid Access to Dihalogenated Spiro[cyclobutane-1,3'-quinolin]-2'-one Derivatives","Chemical Communications","2026","","","","","10.1039/D6CC01504B","","","0.71073","MoKα","","0.0416","0.0387","","","0.0923","0.0944","","","","","","1.074","","","","has coordinates","305936","2026-05-12","21:55:52",""
"7135809","24.943","0.0013","32.1607","0.0018","42.16","0.002","90","","90","","90","","33820","3","170","","170","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C93.5 H73 B4 Cl9 N6 O0.5 -","- C90 H68 B4 N6 -","- C1440 H1088 B64 N96 -","16","2","","Hua, Tao; Hu, Yongxu; Jiang, Ting; Guo, Xiaoyu; Zhang, Chi; Chen, Zhanxiang; Miao, Jingsheng; Yang, Chuluo; Huang, Zhongyan","Ortho-B-π-B-regulated multiple-resonance emitter enables high efficiency narrowband yellow OLEDs","Chemical Communications","2026","","","","","10.1039/D6CC02248K","","","1.34139","GaKα","","0.2141","0.144","","","0.3834","0.4326","","","","","","1.364","","","","has coordinates","305937","2026-05-12","21:56:08",""
"7135810","16.0275","0.0013","14.7197","0.0016","18.5097","0.0019","90","","90","","90","","4366.8","0.7","200","0.1","200","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C28 H18 N4 O2 -","- C28 H18 N4 O2 -","- C224 H144 N32 O16 -","8","1","","Zhang, Xuhao; Zhang, Xiu-Hao; Liu, Fu-Hao; Li, Fei; Geng, Yan; Yao, Bing-Jian","A quinazolinone-linked covalent organic framework with an intrinsic N-N bond for efficient palladium nanocatalysis","Chemical Communications","2026","","","","","10.1039/D6CC00607H","","x-ray","0.71073","MoKα","","0.1512","0.0712","","","0.1902","0.2517","","","","","","1.032","","","","has coordinates","305956","2026-05-13","22:05:07",""
"7135811","12.926","0.003","5.3094","0.0011","9.688","0.002","90","","111.73","0.03","90","","617.6","0.3","294.76","0.11","294.76","0.11","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H7 N2 O -","- C7 H7 N2 O -","- C28 H28 N8 O4 -","4","1","","Zhang, Xuhao; Zhang, Xiu-Hao; Liu, Fu-Hao; Li, Fei; Geng, Yan; Yao, Bing-Jian","A quinazolinone-linked covalent organic framework with an intrinsic N-N bond for efficient palladium nanocatalysis","Chemical Communications","2026","","","","","10.1039/D6CC00607H","","x-ray","0.71073","MoKα","","0.0824","0.053","","","0.1487","0.1874","","","","","","0.858","","","","has coordinates","305956","2026-05-13","22:05:07",""
"7135812","31.8819","0.0004","31.8819","0.0004","61.6528","0.0016","90","","90","","120","","54271.5","1.7","150","","150","","","","","","","","","7","R -3 :H","-R 3","148","","","","- C145.69 H167.69 As4 N4 O108 S6 V24 -","- C145.696 H167.696 As3.9999 N3.9999 O108 S6 V24 -","- C874.175 H1006.17 As23.9994 N23.9994 O648 S36 V144 -","6","0.333333","","Li, Meng-Yu; Tong, Ke-Wei; Zhang, Li; Lu, Ming-Hua; Maimaitijiang, Abudula; Song, Bai-Qiao; Liu, Zunqi; Yang, Peng; Wang, Yanhu","Bent Ligand-Directed Assembly and Adsorption Property Modulation of Pseudo-tetrahedral polyoxometalate-organic cages","Chemical Communications","2026","","","","","10.1039/D6CC01941B","","","1.54178","CuKα","","0.1495","0.1004","","","0.3078","0.3478","","","","","","1.128","","","","has coordinates,has disorder","305957","2026-05-13","22:05:51",""
"7135813","24.1077","0.0011","24.1077","0.0011","24.5893","0.0018","90","","90","","90","","14290.8","1.4","150","2","150","","","","","","","","","7","I -4","I -4","82","","","","- C148 H184 N6 O108 P4 S6 V24 -","- C148 H184 N6 O108 P4 S6 V24 -","- C296 H368 N12 O216 P8 S12 V48 -","2","0.25","","Li, Meng-Yu; Tong, Ke-Wei; Zhang, Li; Lu, Ming-Hua; Maimaitijiang, Abudula; Song, Bai-Qiao; Liu, Zunqi; Yang, Peng; Wang, Yanhu","Bent Ligand-Directed Assembly and Adsorption Property Modulation of Pseudo-tetrahedral polyoxometalate-organic cages","Chemical Communications","2026","","","","","10.1039/D6CC01941B","","","1.54178","CuKα","","0.1072","0.0547","","","0.1264","0.1392","","","","","","0.912","","","","has coordinates,has disorder","305957","2026-05-13","22:05:51",""
"7135814","7.4693","0.0006","10.4315","0.0011","16.487","0.0017","90","","99.938","0.009","90","","1265.3","0.2","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 Br N2 O2 -","- C15 H10 Br N2 O2 -","- C60 H40 Br4 N8 O8 -","4","1","","Biswal, Chidananda; Nayek, Pravat; Maity, Sandeepan; Mal, Prasenjit","Mechanistically Orthogonal Radical Strategies Converging on Programmable Site-Selective Halogenation of Quinoxalinones","Chemical Communications","2026","","","","","10.1039/D6CC01927G","","x-ray","0.71073","MoKα","","0.0735","0.0474","","","0.1046","0.1136","","","","","","1.061","","","","has coordinates","305983","2026-05-18","21:55:27",""
"7135815","5.8114","0.0002","14.2733","0.0005","17.1408","0.0007","90","","90","","90","","1421.79","0.09","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 N2 O3 S2 -","- C14 H14 N2 O3 S2 -","- C56 H56 N8 O12 S8 -","4","1","","Vidyakina, Aleksandra A.; Kim, Mia D.; Silonov, Sergey A.; Galkin, Egor S.; Kryukova, Mariya A.; Gibadullina , Elmira Мingaleevna; Shakirov, Adel M.; Voloshina, Alexandra Dmitrievna; Chugunova, Elena A.; Burilov, Alexander R.; Sinyashin, Oleg Geroldovich; Balova, Irina; Alabugin, Igor; Danilkina, Natalia","Cooperative Organelle Targeting from a Single Molecular Module: Sterically Hindered Phenol–Diaminopyridine–Functionalized Cycloalkynes for Mitochondria–Endoplasmic Reticulum Localization","Chemical Communications","2026","","","","","10.1039/D6CC02377K","","x-ray","1.54184","CuKα","","0.0566","0.042","","","0.1065","0.1094","","","","","","1.059","","","","has coordinates","305984","2026-05-18","21:55:33",""
"7135816","12.415","0.0002","16.7769","0.0003","19.327","0.0003","90","","103.195","0.002","90","","3919.25","0.12","105","8","105","8","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H59 Al N2 O2 -","- C42 H59 Al N2 O2 -","- C168 H236 Al4 N8 O8 -","4","1","","Goswami, Santu; Sarkar, Subham; Chakraborty, Akash; Mandal, Chhotan; Panda, Sourav; Mallick, Dibyendu; Mukherjee, Debabrata","N-Heterocyclic Olefin-Based Dianionic [OArCH2NHOArO]2- and Neutral [MeOArCH2NHOArOMe] O,C,O’-Pincer Ligands.","Chemical Communications","2026","","","","","10.1039/D6CC02436J","","x-ray","1.54184","CuKα","","0.0799","0.0657","","","0.1725","0.1938","","","","","","1.108","","","","has coordinates","305991","2026-05-19","21:58:22",""
"7135817","10.6048","0.0002","15.8261","0.0003","28.5773","0.0004","76.586","0.001","87.738","0.001","71.836","0.002","4430.07","0.14","101","1","101","1","","","","","","","","6","P -1","-P 1","2","","","","- C43 H68 Al Br N2 O4 -","- C35 H52 Al Br N2 O2 -","- C140 H208 Al4 Br4 N8 O8 -","4","2","","Goswami, Santu; Sarkar, Subham; Chakraborty, Akash; Mandal, Chhotan; Panda, Sourav; Mallick, Dibyendu; Mukherjee, Debabrata","N-Heterocyclic Olefin-Based Dianionic [OArCH2NHOArO]2- and Neutral [MeOArCH2NHOArOMe] O,C,O’-Pincer Ligands.","Chemical Communications","2026","","","","","10.1039/D6CC02436J","","x-ray","1.54184","CuKα","","0.0917","0.0831","","","0.2322","0.2376","","","","","","1.089","","","","has coordinates,has disorder","305991","2026-05-19","21:58:22",""
"7135818","13.4375","0.0003","16.7453","0.0004","19.3647","0.0005","92.178","0.002","105.282","0.002","95.822","0.002","4172.07","0.18","105","7","105","7","","","","","","","","5","P -1","-P 1","2","","","","- C81 H130 K3 N4 O10 -","- C81 H130 K3 N4 O10 -","- C162 H260 K6 N8 O20 -","2","1","","Goswami, Santu; Sarkar, Subham; Chakraborty, Akash; Mandal, Chhotan; Panda, Sourav; Mallick, Dibyendu; Mukherjee, Debabrata","N-Heterocyclic Olefin-Based Dianionic [OArCH2NHOArO]2- and Neutral [MeOArCH2NHOArOMe] O,C,O’-Pincer Ligands.","Chemical Communications","2026","","","","","10.1039/D6CC02436J","","x-ray","1.54184","CuKα","","0.1136","0.0944","","","0.2739","0.2989","","","","","","1.083","","","","has coordinates","305991","2026-05-19","21:58:22",""
"7135819","9.922","0.003","17.188","0.005","26.042","0.007","89.435","0.011","89.895","0.011","78.034","0.01","4344","2","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C46 H71 Al N2 O2 -","- C46 H71 Al N2 O2 -","- C184 H284 Al4 N8 O8 -","4","2","","Goswami, Santu; Sarkar, Subham; Chakraborty, Akash; Mandal, Chhotan; Panda, Sourav; Mallick, Dibyendu; Mukherjee, Debabrata","N-Heterocyclic Olefin-Based Dianionic [OArCH2NHOArO]2- and Neutral [MeOArCH2NHOArOMe] O,C,O’-Pincer Ligands.","Chemical Communications","2026","","","","","10.1039/D6CC02436J","","","0.71073","MoKα","","0.2344","0.1855","","","0.4152","0.441","","","","","","1.075","","","","has coordinates,has disorder","305991","2026-05-19","21:58:22",""
"7135820","18.0752","0.0004","18.0752","0.0004","30.0388","0.0009","90","","90","","120","","8499.2","0.4","220","2","220","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C27.75 H81 Ge10 Si4 -","- C27.75 H81 Ge10 Si4 -","- C166.5 H486 Ge60 Si24 -","6","0.333333","","Karger, Sebastian; Drösemeier, Elias; Virovets, Alexander V.; Peresypkina, Eugenia; Lerner, Hans-Wolfram; Müller, Thomas; Wagner, Matthias","Something germane about germanium: facile access to Ge10 adamantane","Chemical Communications","2026","","","","","10.1039/D6CC02368A","","","0.71073","MoKα","","0.0456","0.0347","","","0.1015","0.1089","","","","","","1.113","","","","has coordinates,has disorder","305992","2026-05-19","21:58:39",""
"7135821","18.05","0.0004","18.05","0.0004","29.9389","0.0011","90","","90","","120","","8447.4","0.4","220","2","220","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C27.75 H81 Ge10 Si4 -","- C27.75 H81 Ge10 Si4 -","- C166.5 H486 Ge60 Si24 -","6","0.333333","","Karger, Sebastian; Drösemeier, Elias; Virovets, Alexander V.; Peresypkina, Eugenia; Lerner, Hans-Wolfram; Müller, Thomas; Wagner, Matthias","Something germane about germanium: facile access to Ge10 adamantane","Chemical Communications","2026","","","","","10.1039/D6CC02368A","","","0.71073","MoKα","","0.0535","0.0346","","","0.0989","0.1104","","","","","","1.024","","","","has coordinates,has disorder","305992","2026-05-19","21:58:39",""
"7135822","12.0521","0.0003","18.6903","0.0003","14.0413","0.0003","90","","112.666","0.003","90","","2918.63","0.12","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C33 H87 Ge6 K O6 Si7 -","- C33 H87 Ge6 K O6 Si7 -","- C66 H174 Ge12 K2 O12 Si14 -","2","0.5","","Karger, Sebastian; Drösemeier, Elias; Virovets, Alexander V.; Peresypkina, Eugenia; Lerner, Hans-Wolfram; Müller, Thomas; Wagner, Matthias","Something germane about germanium: facile access to Ge10 adamantane","Chemical Communications","2026","","","","","10.1039/D6CC02368A","","x-ray","0.5","synchrotron","","0.0711","0.0553","","","0.1353","0.1433","","","","","","1.037","","","","has coordinates,has disorder","305992","2026-05-19","21:58:39",""
"7135823","13.1897","0.0013","17.432","0.002","17.3845","0.0019","90","","107.838","0.004","90","","3804.9","0.7","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H33 N3 O4 S4 -","- C36 H33 N3 O4 S4 -","- C144 H132 N12 O16 S16 -","4","1","","Singh, Gargi; Arockiaraj, Mariyaraj; Mothilal , Kishor Kumar; Rajeshkumar, Venkatachalam","Metal-Free Iodine-Promoted Strategy for the Synthesis of C2,C3-Bissulfenylated Indoles","Chemical Communications","2026","","","","","10.1039/D6CC01055E","","","0.71073","MoKα","","0.2032","0.1176","","","0.3054","0.3596","","","","","","1.393","","","","has coordinates","306041","2026-05-20","21:55:21",""
"7135824","8.8231","0.0003","18.1789","0.0006","9.084","0.0002","90","","97.691","0.001","90","","1443.91","0.08","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 F N O -","- C18 H18 F N O -","- C72 H72 F4 N4 O4 -","4","1","","Sihag, Naveen; Ahirwar, Mini Bharati; Kumar, Ankit; Hafeez, Saleem; Deshmukh, Milind M.; Yadav, M. Ramu","Sodium Borohydride: Repurposing From Reducing Agent to Reductive Cyclization Reagent for N-(2-Iodoaryl)Acrylamides","Chemical Communications","2026","","","","","10.1039/D6CC01179A","","","0.71073","MoKα","","0.0502","0.0463","","","0.1318","0.1357","","","","","","1.064","","","","has coordinates,has disorder","306042","2026-05-20","21:55:27",""
"7135825","10.3628","0.001","19.026","0.002","7.5744","0.0008","90","","90","","90","","1493.4","0.3","296.15","","296.15","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C H Co N -","- C3.16667 H2.5 Co0.166667 N0.333333 -","- C76 H60 Co4 N8 -","24","6","","Ding, Ye-Hao; Zuo, Xin; Dai, Yu-Han; Li, Yuanming; Yan, Jian-Feng; Chen, Lichuan; Xiang, Dong; Yuan, Yaofeng","Tuning of Single-Molecule Conductance via Regioisomerism and Desilylation in (η⁵-Cp)Co(η⁴-Cb) Complexes","Chemical Communications","2026","","","","","10.1039/D6CC01940D","","","0.71073","MoKα","","0.0427","0.0278","","","0.0581","0.0636","","","","","","1.021","","","","has coordinates","306043","2026-05-20","21:55:33",""
"7135826","13.649","0.003","14.877","0.004","14.912","0.003","76.215","0.006","69.224","0.004","71.805","0.007","2661.7","1.1","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C63 H50 Cl2 O2 S8 -","- C63 H50 Cl2 O2 S8 -","- C126 H100 Cl4 O4 S16 -","2","1","","Rindom, Cecilie; Lirette, Frédéric; Ouellette, Jérémie; Seljmani, Florim; Pedersen, Viktor Bliksted Roug; Morin, Jean-Francois; Nielsen, Mogens Brøndsted","Expanded benzo-fused dihydro-azulenoazulenes -Tuning electronic properties","Chemical Communications","2026","","","","","10.1039/D6CC02835G","","","0.71073","MoKα","","0.0722","0.0458","","","0.1116","0.1224","","","","","","1.06","","","","has coordinates,has disorder","306044","2026-05-20","21:55:39",""
"7135827","7.0804","0.0004","9.1424","0.0005","14.3635","0.0009","71.451","0.001","83.566","0.002","86.655","0.001","875.67","0.09","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H14 Cl3 F N2 O2 -","- C18 H14 Cl3 F N2 O2 -","- C36 H28 Cl6 F2 N4 O4 -","2","1","","Tian, Miao; Dong, Qinghao; Fu, Ruirui; Zhang, Yingxue; Chen, Tiantian; Sun, Kai","Carbocyclization-Oximation of Alkenes via Boryl Radical-Mediated Halogen Atom Transfer to Access Fluorinated 4-(Carbaldehyde Oxime)Quinolinones","Chemical Communications","2026","","","","","10.1039/D6CC02257J","","","1.54178","CuKα","","0.0312","0.0305","","","0.0815","0.0834","","","","","","1.048","","","","has coordinates","306056","2026-05-21","21:55:38",""
"7135828","7.9667","0.0007","15.6585","0.0013","18.3346","0.0015","90","","90","","90","","2287.2","0.3","170","","170","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H30 N5 O3 -","- C25 H30 N5 O3 -","- C100 H120 N20 O12 -","4","1","","Lv, Jiayang; Xu, Zanjie; Deng, Zhengguo; Chen, Xinyu; Zheng, Changdi; Song, Dingguo; Ling, Fei; Zhong, Weihui","Silver-catalyzed asymmetric [3+2] cycloaddition via dynamic kinetic resolution: access to chiral oxazolines bearing C–N axial chirality","Chemical Communications","2026","","","","","10.1039/D6CC02321E","","x-ray","1.34139","GaKα","","0.036","0.0338","","","0.0873","0.0891","","","","","","1.056","","","","has coordinates","306057","2026-05-21","21:55:45",""
"7135829","11.5736","0.0013","21.12","0.008","23.056","0.004","90","","90","","90","","5636","2","173","0.1","173","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","H4-complex acetaminophen guess","","- C54 H61 N17 O14 -","- C54 H61 N17 O14 -","- C216 H244 N68 O56 -","4","1","","Mogensen, Jeppe S.; Hofmann, Thomas M.; Perera, Suvenika; Lie, Yann; Pittelkow, Michael; Isaacs, Lyle","Acyclic cucurbituril as sequestrant for acetaminophen","Chemical Communications","2026","","","","","10.1039/D6CC01879C","","electron","0.0251","electron","","0.1674","0.1077","","","0.2513","0.2859","","","","","","1.039","","","","has coordinates","306058","2026-05-21","21:55:57",""
"7135830","6.0257","0.0006","31.476","0.003","10.6328","0.0011","90","","104.128","0.003","90","","1955.7","0.3","301.15","","301","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H17 Br N2 O -","- C24 H17 Br N2 O -","- C96 H68 Br4 N8 O4 -","4","2","","Bakkiyaraj, Marimuthu; Anbarasan, Pazhamalai","Enantiodivergent RhIII -Catalyzed Synthesis of Imidazo[1,5-a]indole","Chemical Communications","2026","","","","","10.1039/D6CC01074A","","x-ray","0.71073","MoKα","","0.0623","0.0351","","","0.0682","0.0755","","","","","","0.985","","","","has coordinates","306067","2026-05-22","21:56:12",""
"7135831","5.9099","0.0003","31.2632","0.0015","10.5445","0.0005","90","","103.579","0.002","90","","1893.77","0.16","100.15","","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H17 Br N2 O -","- C24 H17 Br N2 O -","- C96 H68 Br4 N8 O4 -","4","2","","Bakkiyaraj, Marimuthu; Anbarasan, Pazhamalai","Enantiodivergent RhIII -Catalyzed Synthesis of Imidazo[1,5-a]indole","Chemical Communications","2026","","","","","10.1039/D6CC01074A","","x-ray","0.71073","MoKα","","0.0545","0.0427","","","0.0862","0.0903","","","","","","0.999","","","","has coordinates","306067","2026-05-22","21:56:12",""
"7135832","10.9413","0.0002","13.5395","0.0003","20.7527","0.0005","90","","90","","90","","3074.3","0.12","299.44","0.1","299.44","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H24 N2 O3 S2 -","- C29 H24 N2 O3 S2 -","- C116 H96 N8 O12 S8 -","4","1","","Jiang, Dong-Fang; He, Wei-Min; Jia, Zhou; Yang, Can; Yutong, Tang; Liu, Shuai","Palladium-Catalyzed Three-Component Tandem Reaction of Thioamides, Arenediazonium Tetrafluoroborates and DABSO: An Efficient Synthesis of Arylsulfonyl 1,3-Benzothiazines","Chemical Communications","2026","","","","","10.1039/D6CC02613C","","x-ray","1.54184","CuKα","","0.0548","0.0463","","","0.1182","0.1232","","","","","","1.055","","","","has coordinates","306068","2026-05-22","21:56:31",""
"7135833","8.3706","0.0004","20.1042","0.0009","10.0708","0.0005","90","","94.005","0.001","90","","1690.62","0.14","297","2","297","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H18 N4 O S2 -","- C17 H18 N4 O S2 -","- C68 H72 N16 O4 S8 -","4","1","","Mahato, Frenki; Hajra, Alakananda","Oxidative C5-H Amination of Imidazo[1,2-a]pyrimidines via Iodine Catalysis","Chemical Communications","2026","","","","","10.1039/D6CC02067D","","","0.71073","MoKα","","0.098","0.0685","","","0.1499","0.1692","","","","","","1.183","","","","has coordinates","306069","2026-05-22","21:56:38",""
"7135834","21.5772","0.0014","10.1529","0.0004","27.909","0.003","90","","104.094","0.008","90","","5930","0.8","293","2","293","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C39 H24 N4 S -","- C39 H24 N4 S -","- C312 H192 N32 S8 -","8","1","","Mondal, Imtiaj; Salam, Gracy; Karmakar, Sudip; Naskar, Koushik; Dandapat, Dibas; Bliss, Ng Shereinai; Chowdhury, Moumita; Deb, Indubhusan","Spiro-[indene-1,2'-indolin] Scaffolds via Rh (III) Catalyzed C-H Activation/[3+2] Spiroannulation","Chemical Communications","2026","","","","","10.1039/D6CC01624C","","","1.54184","CuKα","","0.094","0.0652","","","0.174","0.2089","","","","","","1.093","","","","has coordinates","306086","2026-05-25","21:57:19",""
"7135835","10.3817","0.0002","11.3734","0.0002","14.3921","0.0003","92.141","0.001","106.885","0.001","113.637","0.001","1466.56","0.05","294","","294","","","","","","","","","4","P -1","-P 1","2","","IM-06-113","","- C39 H29 N O -","- C39 H29 N O -","- C78 H58 N2 O2 -","2","1","","Mondal, Imtiaj; Salam, Gracy; Karmakar, Sudip; Naskar, Koushik; Dandapat, Dibas; Bliss, Ng Shereinai; Chowdhury, Moumita; Deb, Indubhusan","Spiro-[indene-1,2'-indolin] Scaffolds via Rh (III) Catalyzed C-H Activation/[3+2] Spiroannulation","Chemical Communications","2026","","","","","10.1039/D6CC01624C","","","1.54178","CuKα","","0.0555","0.0515","","","0.1413","0.1462","","","","","","1.0548","","","","has coordinates","306086","2026-05-25","21:57:19",""
"7135836","10.3386","0.0016","18.48","0.003","11.8838","0.0017","90","","95.167","0.005","90","","2261.3","0.6","297","","297","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H25 N O -","- C31 H25 N O -","- C124 H100 N4 O4 -","4","1","","Mondal, Imtiaj; Salam, Gracy; Karmakar, Sudip; Naskar, Koushik; Dandapat, Dibas; Bliss, Ng Shereinai; Chowdhury, Moumita; Deb, Indubhusan","Spiro-[indene-1,2'-indolin] Scaffolds via Rh (III) Catalyzed C-H Activation/[3+2] Spiroannulation","Chemical Communications","2026","","","","","10.1039/D6CC01624C","","x-ray","1.54178","CuKα","","0.0563","0.0554","","","0.1465","0.1475","","","","","","1.086","","","","has coordinates","306086","2026-05-25","21:57:19",""
"7135837","23.775","0.0006","6.4009","0.0002","16.2406","0.0005","90","","90","","90","","2471.52","0.13","300","","300","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C32 H26 F N O -","- C32 H26 F N O -","- C128 H104 F4 N4 O4 -","4","1","","Mondal, Imtiaj; Salam, Gracy; Karmakar, Sudip; Naskar, Koushik; Dandapat, Dibas; Bliss, Ng Shereinai; Chowdhury, Moumita; Deb, Indubhusan","Spiro-[indene-1,2'-indolin] Scaffolds via Rh (III) Catalyzed C-H Activation/[3+2] Spiroannulation","Chemical Communications","2026","","","","","10.1039/D6CC01624C","","","1.54178","CuKα","","0.0408","0.0402","","","0.1089","0.1096","","","","","","1.045","","","","has coordinates","306086","2026-05-25","21:57:19",""
"7135838","10.5299","0.0004","11.7051","0.0005","12.2331","0.0006","110.007","0.002","108.936","0.002","101.341","0.002","1257.25","0.1","299","","299","","","","","","","","","4","P -1","-P 1","2","","","","- C33 H29 N O2 -","- C33 H29 N O2 -","- C66 H58 N2 O4 -","2","1","","Mondal, Imtiaj; Salam, Gracy; Karmakar, Sudip; Naskar, Koushik; Dandapat, Dibas; Bliss, Ng Shereinai; Chowdhury, Moumita; Deb, Indubhusan","Spiro-[indene-1,2'-indolin] Scaffolds via Rh (III) Catalyzed C-H Activation/[3+2] Spiroannulation","Chemical Communications","2026","","","","","10.1039/D6CC01624C","","x-ray","1.54178","CuKα","","0.0468","0.0436","","","0.1159","0.1172","","","","","","1.062","","","","has coordinates","306086","2026-05-25","21:57:19",""
"7135839","24.2871","0.0014","6.3963","0.0004","16.2325","0.001","90","","90","","90","","2521.7","0.3","299","","299","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C32 H24 F3 N O -","- C32 H24 F3 N O -","- C128 H96 F12 N4 O4 -","4","1","","Mondal, Imtiaj; Salam, Gracy; Karmakar, Sudip; Naskar, Koushik; Dandapat, Dibas; Bliss, Ng Shereinai; Chowdhury, Moumita; Deb, Indubhusan","Spiro-[indene-1,2'-indolin] Scaffolds via Rh (III) Catalyzed C-H Activation/[3+2] Spiroannulation","Chemical Communications","2026","","","","","10.1039/D6CC01624C","","x-ray","1.54178","CuKα","","0.0618","0.0607","","","0.1626","0.1641","","","","","","1.05","","","","has coordinates","306086","2026-05-25","21:57:19",""
"7135840","11.6782","0.0003","12.0098","0.0003","16.4151","0.0005","96.868","0.002","108.052","0.002","113.955","0.001","1918.95","0.1","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C33 H65 As N2 Si3 -","- C33 H65 As N2 Si3 -","- C66 H130 As2 N4 Si6 -","2","1","","Wang, Jicheng; Yang, Yufen; Xiao, Zhicheng; Zhang, Manbo; Li, Bin","Synthesis of an amidinate-supported arsasilene and its attempted oxidation","Chemical Communications","2026","","","","","10.1039/D6CC01524G","","","1.54178","CuKα","","0.0416","0.0372","","","0.0968","0.0994","","","","","","1.054","","","","has coordinates","306087","2026-05-25","21:58:01",""
"7135841","13.1747","0.0002","18.147","0.0003","23.87","0.0005","90","","101.108","0.001","90","","5599.96","0.17","150","","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H100 As2 Na2 O2 Si4 -","- C44 H100 As2 Na2 O2 Si4 -","- C176 H400 As8 Na8 O8 Si16 -","4","0.5","","Wang, Jicheng; Yang, Yufen; Xiao, Zhicheng; Zhang, Manbo; Li, Bin","Synthesis of an amidinate-supported arsasilene and its attempted oxidation","Chemical Communications","2026","","","","","10.1039/D6CC01524G","","","1.54178","CuKα","","0.0262","0.0243","","","0.0617","0.063","","","","","","1.041","","","","has coordinates,has disorder","306087","2026-05-25","21:58:01",""
"7135842","11.8541","0.0003","21.8293","0.0006","23.7012","0.0006","87.522","0.001","89.051","0.001","88.988","0.001","6125.6","0.3","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C114 H132 As2 B2 F40 N4 Si6 -","- C114 H132 As2 B2 F40 N4 Si6 -","- C228 H264 As4 B4 F80 N8 Si12 -","2","1","","Wang, Jicheng; Yang, Yufen; Xiao, Zhicheng; Zhang, Manbo; Li, Bin","Synthesis of an amidinate-supported arsasilene and its attempted oxidation","Chemical Communications","2026","","","","","10.1039/D6CC01524G","","","1.54178","CuKα","","0.0494","0.0445","","","0.1176","0.121","","","","","","1.046","","","","has coordinates,has disorder","306087","2026-05-25","21:58:01",""
"7135843","18.7524","0.0002","15.881","0.0002","13.1455","0.0001","90","","90.521","0.001","90","","3914.66","0.07","100","0.2","100","0.2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H36 Cl4 N8 Pt2 S4 -","- C36 H36 Cl4 N8 Pt2 S4 -","- C144 H144 Cl16 N32 Pt8 S16 -","4","0.5","","Zhang, Bao; Chen, Mingliang; Dong, WenJing; Wang, Shuo; Tu, Bo; Song, Jintong; Xiang, Haifeng","Soft chiral-bridged binuclear Pt(II) complexes with cyclometalated N-heterocyclic carbene ligands for multicolor circularly polarized luminescence","Chemical Communications","2026","","","","","10.1039/D6CC02281B","","x-ray","1.54184","CuKα","","0.0377","0.0373","","","0.1059","0.1064","","","","","","1.159","","","","has coordinates","306093","2026-05-26","21:55:07",""
"7135844","10.5038","0.0002","10.2969","0.0002","19.7181","0.0003","90","","104.793","0.002","90","","2061.95","0.07","99.9","0.4","99.9","0.4","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C41 H36 Cl2 N6 O2 Pt2 S4 -","- C41 H36 Cl2 N6 O2 Pt2 S4 -","- C82 H72 Cl4 N12 O4 Pt4 S8 -","2","1","","Zhang, Bao; Chen, Mingliang; Dong, WenJing; Wang, Shuo; Tu, Bo; Song, Jintong; Xiang, Haifeng","Soft chiral-bridged binuclear Pt(II) complexes with cyclometalated N-heterocyclic carbene ligands for multicolor circularly polarized luminescence","Chemical Communications","2026","","","","","10.1039/D6CC02281B","","x-ray","1.54184","CuKα","","0.0847","0.0828","","","0.2236","0.2266","","","","","","1.109","","","","has coordinates,has disorder","306093","2026-05-26","21:55:07",""
"7135845","7.7069","0.0007","18.5912","0.0015","28.355","0.002","90","","90","","90","","4062.7","0.6","150","","150","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C35 H28 Cl2 F6 N8 Pt2 S4 -","- C34 H26 F6 N8 Pt2 S4 -","- C136 H104 F24 N32 Pt8 S16 -","4","1","","Zhang, Bao; Chen, Mingliang; Dong, WenJing; Wang, Shuo; Tu, Bo; Song, Jintong; Xiang, Haifeng","Soft chiral-bridged binuclear Pt(II) complexes with cyclometalated N-heterocyclic carbene ligands for multicolor circularly polarized luminescence","Chemical Communications","2026","","","","","10.1039/D6CC02281B","","","1.54184","CuKα","","0.0343","0.032","","","0.0782","0.0786","","","","","","1.061","","","","has coordinates","306093","2026-05-26","21:55:07",""
"7135846","8.6102","0.0002","13.8584","0.0004","15.3809","0.0005","90","","95.625","0.001","90","","1826.47","0.09","296.15","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H17 Br N2 O2 -","- C23 H17 Br N2 O2 -","- C92 H68 Br4 N8 O8 -","4","1","","Tarray, Amir Rashid; Naaz, Ayshia; Patel, Tulsi R.; Ganguly, Bishwajit; Bhat, Bilal A.; Rashid, Showkat","Diastereoselective assembly of complex benzofuran-annulated spiro-tetrahydroquinoline frameworks <i>via</i> Povarov cyclization.","Chemical communications (Cambridge, England)","2026","","","","","10.1039/d6cc01638c","","","0.71073","MoKα","","0.035","0.0284","","","0.0683","0.0706","","","","","","1.035","","","","has coordinates","306102","2026-05-27","21:56:17",""
"7135847","10.279","0.0013","14.016","0.002","14.385","0.002","64.584","0.005","82.661","0.005","83.002","0.005","1851.3","0.4","302","","302","","","","","","","","","10","P 1","P 1","1","","","","- C71 H62 Cl2 Dy F6 N6 O4 P S4 Si2 -","- C71 H62 Cl2 Dy F6 N6 O4 P S4 Si2 -","- C71 H62 Cl2 Dy F6 N6 O4 P S4 Si2 -","1","1","","Wang, Yunquan; Wang, Tingting; Li, Xiao-Lei; Zhang, Peng; La Droitte, Léo; Cador, Olivier; Le Guennic, Boris; Zhu, Zhenhua; Tang, Jinkui","Chiral Dy(III) single-molecule magnets supported by thiophene-substituted hexaazamacrocycles","Chemical Communications","2026","","","","","10.1039/D6CC03062A","","","0.71073","MoKα","","0.0357","0.0353","","","0.0994","0.0999","","","","","","1.096","","","","has coordinates","306103","2026-05-27","21:56:24",""
"7135848","10.2306","0.0005","13.8626","0.0007","14.3526","0.0007","64.489","0.002","83.113","0.002","83.204","0.002","1818.75","0.16","180","","180","","","","","","","","","10","P 1","P 1","1","","","","- C72 H60 Cl4 Dy F6 N6 O2 P S4 Si2 -","- C72 H60 Cl4 Dy F6 N6 O2 P S4 Si2 -","- C72 H60 Cl4 Dy F6 N6 O2 P S4 Si2 -","1","1","","Wang, Yunquan; Wang, Tingting; Li, Xiao-Lei; Zhang, Peng; La Droitte, Léo; Cador, Olivier; Le Guennic, Boris; Zhu, Zhenhua; Tang, Jinkui","Chiral Dy(III) single-molecule magnets supported by thiophene-substituted hexaazamacrocycles","Chemical Communications","2026","","","","","10.1039/D6CC03062A","","","0.71073","MoKα","","0.046","0.0422","","","0.1013","0.1049","","","","","","1.048","","","","has coordinates","306103","2026-05-27","21:56:24",""
"7135849","7.5761","0.0005","8.6966","0.0006","10.3852","0.0007","91.211","0.002","103.529","0.002","91.437","0.002","664.79","0.08","305","2","305","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H13 N5 O4 -","- C12 H13 N5 O4 -","- C24 H26 N10 O8 -","2","1","","Jayabhavan, Sreejith Sudhakaran; Chandramouli, Arthi; Jayakumar, R.; Damodaran, Krishna K.","Active Pharmaceutical Ingredient Incorporated Supramolecular Materials as Antibacterial Agents","Chemical Communications","2026","","","","","10.1039/D6CC02299E","","","0.71073","MoKα","","0.0753","0.0487","","","0.1325","0.1468","","","","","","1.044","","","","has coordinates","306104","2026-05-27","21:56:43",""
"7135850","10.3896","0.0008","10.9685","0.0008","11.9682","0.0009","90","","94.64","0.003","90","","1359.41","0.18","305","2","305","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H14 N4 O4 -","- C13 H14 N4 O4 -","- C52 H56 N16 O16 -","4","1","","Jayabhavan, Sreejith Sudhakaran; Chandramouli, Arthi; Jayakumar, R.; Damodaran, Krishna K.","Active Pharmaceutical Ingredient Incorporated Supramolecular Materials as Antibacterial Agents","Chemical Communications","2026","","","","","10.1039/D6CC02299E","","","0.71073","MoKα","","0.096","0.0555","","","0.1475","0.1721","","","","","","1.015","","","","has coordinates","306104","2026-05-27","21:56:43",""
"7135851","6.839","0.0005","9.0647","0.0006","12.4965","0.0009","103.598","0.002","102.087","0.002","104.118","0.002","700.39","0.09","302","2","302","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H15 N5 O6 -","- C12 H15 N5 O6 -","- C24 H30 N10 O12 -","2","1","","Jayabhavan, Sreejith Sudhakaran; Chandramouli, Arthi; Jayakumar, R.; Damodaran, Krishna K.","Active Pharmaceutical Ingredient Incorporated Supramolecular Materials as Antibacterial Agents","Chemical Communications","2026","","","","","10.1039/D6CC02299E","","","0.71073","MoKα","","0.0597","0.0402","","","0.0918","0.1008","","","","","","1.034","","","","has coordinates","306104","2026-05-27","21:56:43",""
"7135852","9.1319","0.0007","9.4856","0.0007","9.8024","0.0006","102.462","0.002","98.962","0.002","106.185","0.002","774.84","0.1","305","2","305","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H13 N5 O4 -","- C12 H13 N5 O4 -","- C24 H26 N10 O8 -","2","1","","Jayabhavan, Sreejith Sudhakaran; Chandramouli, Arthi; Jayakumar, R.; Damodaran, Krishna K.","Active Pharmaceutical Ingredient Incorporated Supramolecular Materials as Antibacterial Agents","Chemical Communications","2026","","","","","10.1039/D6CC02299E","","","0.71073","MoKα","","0.0775","0.0634","","","0.2038","0.2119","","","","","","1.196","","","","has coordinates","306104","2026-05-27","21:56:43",""
"7135853","12.29858","0.00014","18.4524","0.0002","12.77536","0.00014","90","","90","","90","","2899.22","0.06","170","0.1","170","0.1","","","","","","","","5","P c c n","-P 2ab 2ac","56","","1","","- C18 H14 F2 N2 O -","- C18 H14 F2 N2 O -","- C144 H112 F16 N16 O8 -","8","1","","Luo, Ding; Duan, Li-Mei; Yang, Hong; Peng, Sha; Yang, Li-Hua; Xie, Long-Yong","An Unexpected NH4HSO4-Catalyzed C3-H Alkenylation of Quinoxalin-2(1H)-ones with Allenes","Chemical Communications","2026","","","","","10.1039/D6CC02160C","","x-ray","1.54184","CuKα","","0.0373","0.0367","","","0.0971","0.0976","","","","","","1.088","","","","has coordinates","306126","2026-05-29","21:58:18",""
"7135854","20.3926","0.0002","14.9242","0.0001","55.1682","0.0006","90","","90.173","0.001","90","","16790","0.3","99.9","0.4","99.9","0.4","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C87 H111 Cl3 N6 O12 Ru3 -","- C87 H111 Cl3 N6 O12 Ru3 -","- C696 H888 Cl24 N48 O96 Ru24 -","8","1","","Zhaoyang, Li; Gao, Ren; Zhang, Shaoguang","Ruthenium-Mediated Phospha-Buchner Ring Expansion: Phosphorus Insertion into a Pendant Arene","Chemical Communications","2026","","","","","10.1039/D6CC01946C","","x-ray","1.54184","CuKα","","0.0404","0.0377","","","0.0946","0.0962","","","","","","1.035","","","","has coordinates","306127","2026-05-29","21:58:30",""
"7135855","12.0123","0.0001","12.9759","0.0001","22.1429","0.0002","90","","91.185","0.001","90","","3450.68","0.05","173","0.1","173","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H47 N2 O6 P Ru -","- C34 H47 N2 O6 P Ru -","- C136 H188 N8 O24 P4 Ru4 -","4","1","","Zhaoyang, Li; Gao, Ren; Zhang, Shaoguang","Ruthenium-Mediated Phospha-Buchner Ring Expansion: Phosphorus Insertion into a Pendant Arene","Chemical Communications","2026","","","","","10.1039/D6CC01946C","","x-ray","1.54184","CuKα","","0.0252","0.0238","","","0.0621","0.0629","","","","","","1.036","","","","has coordinates","306127","2026-05-29","21:58:30",""
"7135856","15.111","0.0012","15.111","0.0012","6.0078","0.0007","90","","90","","90","","1371.8","0.2","379.98","0.1","379.98","0.1","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","","- C17 H25 Fe3 N4 O18 -","- C17 H25 Fe3 N4 O18 -","- C34 H50 Fe6 N8 O36 -","2","0.25","","Ma, Chang-Lei; Li, Chang; Sun, Jia-Yue; Han, Rui-Rui; Liu, Fuchen; Zhao, Jiong-Peng; Yao, Zhao Quan","Organic Ammonium Flexibility Modulated Phase-Transition Behaviour in 3D Perovskite-like Mixed-valence Iron Complexes","Chemical Communications","2026","","","","","10.1039/D6CC02195F","","x-ray","0.71073","MoKα","","0.0404","0.0383","","","0.1004","0.1018","","","","","","1.077","","","","has coordinates,has disorder","306128","2026-05-29","21:58:55",""
"7135857","11.804","0.002","14.956","0.002","14.961","0.003","90","","90","","90","","2641.2","0.8","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H25 Fe3 N2 O18 -","- C17 H25 Fe3 N2 O18 -","- C68 H100 Fe12 N8 O72 -","4","1","","Ma, Chang-Lei; Li, Chang; Sun, Jia-Yue; Han, Rui-Rui; Liu, Fuchen; Zhao, Jiong-Peng; Yao, Zhao Quan","Organic Ammonium Flexibility Modulated Phase-Transition Behaviour in 3D Perovskite-like Mixed-valence Iron Complexes","Chemical Communications","2026","","","","","10.1039/D6CC02195F","","","0.71073","MoKα","","0.0554","0.0501","","","0.1245","0.1296","","","","","","1.03","","","","has coordinates,has disorder","306128","2026-05-29","21:58:55",""
"7135858","11.9937","0.0009","15.1397","0.0009","15.2063","0.0011","90","","90","","90","","2761.2","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H25 Fe3 N4 O18 -","- C17 H25 Fe3 N4 O18 -","- C68 H100 Fe12 N16 O72 -","4","1","","Ma, Chang-Lei; Li, Chang; Sun, Jia-Yue; Han, Rui-Rui; Liu, Fuchen; Zhao, Jiong-Peng; Yao, Zhao Quan","Organic Ammonium Flexibility Modulated Phase-Transition Behaviour in 3D Perovskite-like Mixed-valence Iron Complexes","Chemical Communications","2026","","","","","10.1039/D6CC02195F","","x-ray","0.71073","MoKα","","0.076","0.0316","","","0.065","0.0828","","","","","","0.983","","","","has coordinates","306128","2026-05-29","21:58:55",""
"7135859","15.0662","0.0011","11.9292","0.0007","15.1536","0.001","90","","90","","90","","2723.5","0.3","299.17","0.1","299.17","0.1","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C17 H27 Fe3 N2 O18 -","- C17 H27 Fe3 N2 O18 -","- C68 H108 Fe12 N8 O72 -","4","0.5","","Ma, Chang-Lei; Li, Chang; Sun, Jia-Yue; Han, Rui-Rui; Liu, Fuchen; Zhao, Jiong-Peng; Yao, Zhao Quan","Organic Ammonium Flexibility Modulated Phase-Transition Behaviour in 3D Perovskite-like Mixed-valence Iron Complexes","Chemical Communications","2026","","","","","10.1039/D6CC02195F","","","0.71073","MoKα","","0.0959","0.0676","","","0.156","0.1695","","","","","","1.173","","","","has coordinates,has disorder","306128","2026-05-29","21:58:55",""
"7135860","14.9876","0.0015","14.9876","0.0015","5.9643","0.0009","90","","90","","90","","1339.7","0.3","370.2","0.8","370.15","","","","","","","","","5","P 4/m b m","-P 4 2ab","127","","","","- C17 H27 Fe3 N2 O18 -","- C17 H27 Fe3 N2 O18 -","- C34 H54 Fe6 N4 O36 -","2","0.125","","Ma, Chang-Lei; Li, Chang; Sun, Jia-Yue; Han, Rui-Rui; Liu, Fuchen; Zhao, Jiong-Peng; Yao, Zhao Quan","Organic Ammonium Flexibility Modulated Phase-Transition Behaviour in 3D Perovskite-like Mixed-valence Iron Complexes","Chemical Communications","2026","","","","","10.1039/D6CC02195F","","","0.71073","MoKα","","0.0921","0.0648","","","0.173","0.2005","","","","","","1.08","","","","has coordinates,has disorder","306128","2026-05-29","21:58:55",""
"7135861","15.2085","0.0009","15.2085","0.0009","6.0484","0.0006","90","","90","","90","","1398.99","0.18","400.3","0.3","400.15","","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","","- C19 H31 Fe3 N2 O18 -","- C19 H31 Fe3 N2 O18 -","- C38 H62 Fe6 N4 O36 -","2","0.25","","Ma, Chang-Lei; Li, Chang; Sun, Jia-Yue; Han, Rui-Rui; Liu, Fuchen; Zhao, Jiong-Peng; Yao, Zhao Quan","Organic Ammonium Flexibility Modulated Phase-Transition Behaviour in 3D Perovskite-like Mixed-valence Iron Complexes","Chemical Communications","2026","","","","","10.1039/D6CC02195F","","","0.71073","MoKα","","0.1123","0.061","","","0.1369","0.1682","","","","","","1.051","","","","has coordinates,has disorder","306128","2026-05-29","21:58:55",""
"7135862","11.973","0.002","14.917","0.003","15.127","0.003","90","","90","","90","","2701.7","0.9","273.15","","273.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H19 Fe3 N2 O18 -","- C19 H19 Fe3 N2 O18 -","- C76 H76 Fe12 N8 O72 -","4","1","","Ma, Chang-Lei; Li, Chang; Sun, Jia-Yue; Han, Rui-Rui; Liu, Fuchen; Zhao, Jiong-Peng; Yao, Zhao Quan","Organic Ammonium Flexibility Modulated Phase-Transition Behaviour in 3D Perovskite-like Mixed-valence Iron Complexes","Chemical Communications","2026","","","","","10.1039/D6CC02195F","","x-ray","0.71073","MoKα","","0.0456","0.0387","","","0.1028","0.111","","","","","","1.103","","","","has coordinates,has disorder","306128","2026-05-29","21:58:55",""
"7135863","12.1064","0.0008","15.2095","0.0013","15.3444","0.001","90","","90","","90","","2825.4","0.4","292.69","0.18","292.69","0.18","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H31 Fe3 N2 O18 -","- C19 H31 Fe3 N2 O18 -","- C76 H124 Fe12 N8 O72 -","4","1","","Ma, Chang-Lei; Li, Chang; Sun, Jia-Yue; Han, Rui-Rui; Liu, Fuchen; Zhao, Jiong-Peng; Yao, Zhao Quan","Organic Ammonium Flexibility Modulated Phase-Transition Behaviour in 3D Perovskite-like Mixed-valence Iron Complexes","Chemical Communications","2026","","","","","10.1039/D6CC02195F","","x-ray","0.71073","MoKα","","0.0786","0.0594","","","0.1327","0.1433","","","","","","1.052","","","","has coordinates,has disorder","306128","2026-05-29","21:58:55",""
"7135864","8.6663","0.0007","9.3358","0.0007","11.2322","0.0009","114.105","0.002","95.762","0.002","108.06","0.002","761.19","0.11","100","","100","","","","","","","","","4","P -1","-P 1","2","methyl 3-cyclopentyl-2-(1,3-dioxoisoindolin-2-yl)propanoate","bbam-486","","- C17 H19 N O4 -","- C17 H19 N O4 -","- C34 H38 N2 O8 -","2","1","","Manna, Arindam; Shee, Subhankar; khamaru, krishnendu; Lo, Rabindranath; Banerji, Biswadip","Visible-Light-Mediated Installation of Unactivated Alkyl Groups Enabling Access to Non-Natural Amino Acid Derivatives: Detailed Mechanistic Insights","Chemical Communications","2026","","","","","10.1039/D6CC01933A","","","1.54178","CuKα","","0.0462","0.0461","","","0.1275","0.1276","","","","","","1.0534","","","","has coordinates","306129","2026-05-29","21:59:11",""
"7135865","9.5714","0.0006","9.7703","0.0006","10.9823","0.0006","96.121","0.003","101.991","0.002","105.078","0.002","955.88","0.1","170","","170","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H18 Cl F3 O -","- C23 H18 Cl F3 O -","- C46 H36 Cl2 F6 O2 -","2","1","","Xi, Zi-Wei; Dong, Zhuo-Ying; Ji, Zheng-Kai; Zhang, Kai; Zhao, Fugang; Yuan, Qi-Liang; Shen, Yong-Miao","Visible Light-Induced Carbonylation of Alkenes to Construct α-Branched Aryl Ketone Derivatives","Chemical Communications","2026","","","","","10.1039/D6CC02335E","","","0.71073","MoKα","","0.0693","0.0492","","","0.1063","0.1236","","","","","","1.052","","","","has coordinates","306149","2026-06-01","21:59:00",""
"7135866","32.427","0.003","16.7629","0.0012","21.974","0.003","90","","124.741","0.002","90","","9815.2","1.8","286","","286","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C102 H108 Ir2 N12 O3 -","- C90 H78 Ir2 N12 -","- C360 H312 Ir8 N48 -","4","0.5","","Cui, Lipei; Shi, Zhuolin; Li, Hanshu; Yu, Yongai; Zhao, Xing; He, Cheng; Li, Xuezhao","Cooperative Ir(III)/Ni(II) Catalysis in a Photoactive Molecular Amine Cage for Visible-Light-Induced Aerobic α-Hydroxylation of β-Keto Esters","Chemical Communications","2026","","","","","10.1039/D6CC01843B","","","0.71073","MoKα","","0.0778","0.0434","","","0.0942","0.1046","","","","","","1.057","","","","has coordinates","306150","2026-06-01","21:59:09",""
"7135867","18.7913","0.0017","19.1175","0.0018","10.5622","0.001","90","","90","","90","","3794.4","0.6","130","","130","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C24.25 H18.5 Cl0.5 N2 O3 -","- C24 H18 N2 O3 -","- C192 H144 N16 O24 -","8","2","","Naskar, Koushik; Dandapat, Dibas; Mondal, Imtiaj; Salam, Gracy; Karmakar, Sudip; Chowdhury, Kushal; Deb, Indubhusan","Forging Spiro-Dibenzoxazepane Indano-Succinimides through Direct Diastereoselective [3+2] Annulation","Chemical Communications","2026","","","","","10.1039/D6CC02104B","","x-ray","1.54178","CuKα","","0.0629","0.0559","","","0.1484","0.1544","","","","","","1.052","","","","has coordinates","306151","2026-06-01","21:59:21",""
"7135868","13.1329","0.0005","9.5274","0.0004","16.0526","0.0006","90","","98.948","0.002","90","","1984.1","0.14","216","","216","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","KN-04-191","","- C25 H20 N2 O3 -","- C25 H20 N2 O3 -","- C100 H80 N8 O12 -","4","1","","Naskar, Koushik; Dandapat, Dibas; Mondal, Imtiaj; Salam, Gracy; Karmakar, Sudip; Chowdhury, Kushal; Deb, Indubhusan","Forging Spiro-Dibenzoxazepane Indano-Succinimides through Direct Diastereoselective [3+2] Annulation","Chemical Communications","2026","","","","","10.1039/D6CC02104B","","","1.54178","CuKα","","0.0475","0.0432","","","0.1095","0.113","","","","","","1.048","","","","has coordinates","306151","2026-06-01","21:59:21",""
"7135869","10.8998","0.0006","12.2746","0.0007","22.4806","0.0013","90","","90","","90","","3007.7","0.3","273.15","","273.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","PdL","","- C26 H23 Cl4 N5 Pd2 -","- C26 H23 Cl4 N5 Pd2 -","- C104 H92 Cl16 N20 Pd8 -","4","1","","Raj, Rishi; Shekhawat, Bhawana; Rinkle, Rinkle; Gahlaut, Puneet Singh; Saini, Sumitra; Verma, Abhineet; Jana, Barun","Palladium(II) Complex Bearing a Pyrazolyl-1,2,3-Triazolyl Hybrid Ligand for C-H Bond Activation Toward N-Substituted Carbazole Synthesis","Chemical Communications","2026","","","","","10.1039/D6CC01398H","","x-ray","0.71073","MoKα","","0.0352","0.0341","","","0.0931","0.0937","","","","","","1.0124","","","","has coordinates","306152","2026-06-01","21:59:36",""
"7135870","22.915","0.005","7.5211","0.0013","18.353","0.004","90","","90","","90","","3163.1","1.1","100","2","100","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C25 H28 Ce Co N10 O12 -","- C25 H28 Ce Co N10 O12 -","- C100 H112 Ce4 Co4 N40 O48 -","4","0.5","","Dzielak, Hubert; Bonarek, Pawel J.; Zakrzewski, Jakub J.; Ohkoshi, Shin-ichi; Chorazy, Szymon","Nitrito-κN ligand in pentacyanidocobaltate(III) linkers as a polarity inducer in heterometallic frameworks incorporating lanthanide(III) molecular nanomagnets","Chemical Communications","2026","","","","","10.1039/D6CC02035F","","x-ray","0.71073","MoKα","","0.0502","0.0381","","","0.0801","0.0835","","","","","","1.016","","","","has coordinates,has disorder","306153","2026-06-01","21:59:56",""
"7135871","22.8817","0.0015","7.5829","0.0004","18.4044","0.0011","90","","90","","90","","3193.3","0.3","100","2","100","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C25 H28 Co La N10 O12 -","- C25 H28 Co La N10 O12 -","- C100 H112 Co4 La4 N40 O48 -","4","0.5","","Dzielak, Hubert; Bonarek, Pawel J.; Zakrzewski, Jakub J.; Ohkoshi, Shin-ichi; Chorazy, Szymon","Nitrito-κN ligand in pentacyanidocobaltate(III) linkers as a polarity inducer in heterometallic frameworks incorporating lanthanide(III) molecular nanomagnets","Chemical Communications","2026","","","","","10.1039/D6CC02035F","","x-ray","0.71073","MoKα","","0.0359","0.0332","","","0.0773","0.0795","","","","","","1.03","","","","has coordinates,has disorder","306153","2026-06-01","21:59:56",""
"7135872","23.0323","0.0011","7.4716","0.0004","18.3614","0.0009","90","","90","","90","","3159.8","0.3","100","2","100","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C25 H28 Co N10 Nd O12 -","- C25 H28 Co N10 Nd O12 -","- C100 H112 Co4 N40 Nd4 O48 -","4","0.5","","Dzielak, Hubert; Bonarek, Pawel J.; Zakrzewski, Jakub J.; Ohkoshi, Shin-ichi; Chorazy, Szymon","Nitrito-κN ligand in pentacyanidocobaltate(III) linkers as a polarity inducer in heterometallic frameworks incorporating lanthanide(III) molecular nanomagnets","Chemical Communications","2026","","","","","10.1039/D6CC02035F","","x-ray","0.71073","MoKα","","0.0385","0.0306","","","0.0561","0.0579","","","","","","1.122","","","","has coordinates,has disorder","306153","2026-06-01","21:59:56",""
"7135873","22.982","0.002","7.5099","0.0007","18.3574","0.0018","90","","90","","90","","3168.3","0.5","100","2","100","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C25 H28 Co N10 O12 Pr -","- C25 H28 Co N10 O12 Pr -","- C100 H112 Co4 N40 O48 Pr4 -","4","0.5","","Dzielak, Hubert; Bonarek, Pawel J.; Zakrzewski, Jakub J.; Ohkoshi, Shin-ichi; Chorazy, Szymon","Nitrito-κN ligand in pentacyanidocobaltate(III) linkers as a polarity inducer in heterometallic frameworks incorporating lanthanide(III) molecular nanomagnets","Chemical Communications","2026","","","","","10.1039/D6CC02035F","","x-ray","0.71073","MoKα","","0.0452","0.0405","","","0.08","0.0818","","","","","","1.101","","","","has coordinates,has disorder","306153","2026-06-01","21:59:56",""
"7135874","23.024","0.003","7.4238","0.0009","18.2855","0.0018","90","","90","","90","","3125.5","0.6","100","2","100","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C25 H28 Co N10 O12 Sm -","- C25 H28 Co N10 O12 Sm -","- C100 H112 Co4 N40 O48 Sm4 -","4","0.5","","Dzielak, Hubert; Bonarek, Pawel J.; Zakrzewski, Jakub J.; Ohkoshi, Shin-ichi; Chorazy, Szymon","Nitrito-κN ligand in pentacyanidocobaltate(III) linkers as a polarity inducer in heterometallic frameworks incorporating lanthanide(III) molecular nanomagnets","Chemical Communications","2026","","","","","10.1039/D6CC02035F","","x-ray","0.71073","MoKα","","0.0345","0.0319","","","0.0731","0.0748","","","","","","1.004","","","","has coordinates,has disorder","306153","2026-06-01","21:59:56",""
"7135875","8.3559","0.0005","15.4235","0.0009","15.5022","0.0009","84.917","0.002","81.06","0.002","86.033","0.002","1962.7","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H38 Fe La N11 O14 -","- C31 H38 Fe La N11 O14 -","- C62 H76 Fe2 La2 N22 O28 -","2","1","","Dzielak, Hubert; Bonarek, Pawel J.; Zakrzewski, Jakub J.; Ohkoshi, Shin-ichi; Chorazy, Szymon","Nitrito-κN ligand in pentacyanidocobaltate(III) linkers as a polarity inducer in heterometallic frameworks incorporating lanthanide(III) molecular nanomagnets","Chemical Communications","2026","","","","","10.1039/D6CC02035F","","x-ray","0.71073","MoKα","","0.0446","0.0333","","","0.0637","0.0669","","","","","","1.036","","","","has coordinates","306153","2026-06-01","21:59:56",""
"7135876","9.9662","0.0008","8.6628","0.0007","17.4082","0.0014","90","","97.003","0.002","90","","1491.7","0.2","299","2","299","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H36 N4 O6 -","- C28 H36 N4 O6 -","- C56 H72 N8 O12 -","2","1","","Thayat, Navdeep Singh; Singh, Hanuman; Dhawan, Sameer; George , Janeesh M.; Sarangi, Bibhu Ranjan; Haridas, V.","Photoinduced Morphological Transformation in the Azobenzene-Cored Hybrid Peptides","Chemical Communications","2026","","","","","10.1039/D6CC02086K","","","0.71073","MoKα","","0.1396","0.0666","","","0.1491","0.1879","","","","","","1.0549","","","","has coordinates","306162","2026-06-02","21:56:47",""
"7135877","6.994","0.003","16.658","0.006","20.028","0.008","90","","95.265","0.015","90","","2323.5","1.6","303","","303","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H16 N4 O4 -","- C32 H16 N4 O4 -","- C128 H64 N16 O16 -","4","1","","G, Prathaban; Sharma, Akanksha; De, Soumen; Pramanik, Susnata","Multi-colour and red emissions from a small donor-acceptor molecule by breaching Kasha's rule","Chemical Communications","2026","","","","","10.1039/D6CC00738D","","","0.71073","MoKα","","0.1049","0.081","","","0.2206","0.247","","","","","","1.057","","","","has coordinates","306163","2026-06-02","21:56:58",""
"7135878","10.1201","0.0005","16.0962","0.0007","20.8415","0.001","89.55","0.002","82.058","0.002","79","0.001","3300","0.3","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C88 H36 N14 O6 -","- C88 H36 N14 O6 -","- C176 H72 N28 O12 -","2","1","","G, Prathaban; Sharma, Akanksha; De, Soumen; Pramanik, Susnata","Multi-colour and red emissions from a small donor-acceptor molecule by breaching Kasha's rule","Chemical Communications","2026","","","","","10.1039/D6CC00738D","","","0.71073","MoKα","","0.0962","0.0681","","","0.1916","0.2067","","","","","","1.368","","","","has coordinates","306163","2026-06-02","21:56:58",""
"7135879","30.9","0.004","7.5662","0.0009","18.161","0.002","90","","114.09","0.009","90","","3876.2","0.8","303","2","303","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-(anthracen-9-yl)-9H-thioxanthen-9-one (TX-AN)","","- C27 H16 O S -","- C27 H16 O S -","- C216 H128 O8 S8 -","8","1","","Wang, Ming; Yang, Daojie; Lv, Yonghui; Liu, Haichao; Wang, Kai; Dai, Yuxiang","Pressure-Induced Emission Enhancement in 2-(anthracen-9-yl)-9Hthioxanthen-9-one Crystals with π-π Stacked Thioxanthone Dimers","Chemical Communications","2026","","","","","10.1039/D6CC02256A","","","0.71073","MoKα","","0.0961","0.0654","","","0.1429","0.1607","","","","","","1.02","","","","has coordinates","306164","2026-06-02","21:57:06",""
"7135880","7.8132","0.0004","5.623","0.0003","19.9273","0.0009","90","","97.0615","0.0018","90","","868.84","0.08","200","","200","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H20 N2 O4 -","- C20 H20 N2 O4 -","- C40 H40 N4 O8 -","2","1","","Zhu, Chaoyi; Ni, Jixiang; Shen, Jianxun; Mao, Haotian; Lu, Yang; Ying, Jianxi; Xi, Ning; Zhao, Yufen","Fluorine-Induced Helical Assembly of Dipeptides and its Remote Magnetic Alignment","Chemical Communications","2026","","","","","10.1039/D6CC02008A","","x-ray","1.54178","CuKα","","0.0282","0.0274","","","0.068","0.0685","","","","","","1.056","","","","has coordinates","306179","2026-06-03","21:57:54",""
"7135881","26.4437","0.0008","26.4437","0.0008","4.9534","0.0003","90","","90","","120","","2999.7","0.2","168","","168","","","","","","","","","5","P 64","P 64","172","","","","- C20 H18.2 F2 N2 O4.6 -","- C20 H17 F2 N2 O4 -","- C120 H102 F12 N12 O24 -","6","1","","Zhu, Chaoyi; Ni, Jixiang; Shen, Jianxun; Mao, Haotian; Lu, Yang; Ying, Jianxi; Xi, Ning; Zhao, Yufen","Fluorine-Induced Helical Assembly of Dipeptides and its Remote Magnetic Alignment","Chemical Communications","2026","","","","","10.1039/D6CC02008A","","x-ray","1.54178","CuKα","","0.059","0.0477","","","0.122","0.1281","","","","","","1.01","","","","has coordinates","306179","2026-06-03","21:57:54",""
"7135882","5.93442","0.00008","16.8551","0.0003","28.175","0.0004","90","","90","","90","","2818.21","0.07","150","0.1","150","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H14 F3 N O S -","- C15 H14 F3 N O S -","- C120 H112 F24 N8 O8 S8 -","8","2","","Wei, Renkang; Zhong, Jing; Wang, Qian; Wang, Yixin; Yao, Hequan; Lin, Aijun","Copper-catalyzed three-component radical relay alkenylation of sulfenamides.","Chemical communications (Cambridge, England)","2026","62","37","9442","9446","10.1039/d6cc01311b","","x-ray","1.54184","CuKα","","0.0329","0.032","","","0.0847","0.0853","","","","","","1.049","","","","has coordinates","306183","2026-06-04","03:37:47",""
"7135883","8.0567","0.0006","15.9953","0.0007","44.136","0.002","90","","93.047","0.004","90","","5679.7","0.6","100.15","","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C78 H62 O3 -","- C78 H62 O3 -","- C312 H248 O12 -","4","1","","Seankongsuk, Pattarakiat; Vacek, Martin; Rybáček, Jiří; Vacek, Jaroslav; Kutsenka, Katsiaryna; Bednárová, Lucie; Pohl, Radek; Císařová, Ivana; Stará, Irena G; Starý, Ivo","Triptycene-grafted helicenes: modular synthesis and key properties.","Chemical communications (Cambridge, England)","2026","62","33","8426","8430","10.1039/d5cc06240c","","x-ray","1.54178","CuKα","","0.1368","0.1342","","","0.3248","0.3258","","","","","","1.19","","","","has coordinates,has disorder","306184","2026-06-04","03:38:51",""
"7135884","10.8464","0.0006","12.0177","0.0006","12.8579","0.0009","62.168","0.002","85.094","0.002","74.649","0.002","1427.83","0.15","273.15","","273.15","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H28 F N O2 S -","- C36 H28 F N O2 S -","- C72 H56 F2 N2 O4 S2 -","2","1","","Li, Huirong; Zhang, Wenyu; Zhang, Shuwei; Jiang, Wei; Hu, Weiming; Zhang, Junliang; Wang, Lei","Synthesis of fluorene-indole/benzofuran bicyclic molecules through palladium-catalyzed carboheterofunctionalization of alkynes.","Chemical communications (Cambridge, England)","2026","62","39","9951","9954","10.1039/d6cc01420h","","","0.71073","MoKα","","0.1058","0.0519","","","0.1089","0.1287","","","","","","1.015","","","","has coordinates","306185","2026-06-04","03:39:35",""
"7135885","12.5446","0.0009","19.2471","0.0015","22.0945","0.0018","90","","90","","90","","5334.7","0.7","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C54 H34 N6 Pt2 S6 -","- C54 H34 N6 Pt2 S6 -","- C216 H136 N24 Pt8 S24 -","4","1","","Gu, Shilin; Li, Dongsheng; Long, Deng; Yu, Xinglin; Li, Wentao; Ma, Sihan; Tao, Peng","Unlocking efficient near-infrared circularly polarized phosphorescence reaching 800 nm in cyclometalated Pt(II) complexes.","Chemical communications (Cambridge, England)","2026","62","39","9904","9908","10.1039/d6cc01319h","","","0.71073","MoKα","","0.0255","0.0242","","","0.0626","0.0632","","","","","","0.979","","","","has coordinates","306186","2026-06-04","03:40:05",""
"7135886","11.3739","0.001","15.5577","0.0012","12.1253","0.0011","90","","98.352","0.003","90","","2122.8","0.3","193","","193","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C48 H34 F2 N4 Pt2 S4 -","- C48 H34 F2 N4 Pt2 S4 -","- C96 H68 F4 N8 Pt4 S8 -","2","1","","Gu, Shilin; Li, Dongsheng; Long, Deng; Yu, Xinglin; Li, Wentao; Ma, Sihan; Tao, Peng","Unlocking efficient near-infrared circularly polarized phosphorescence reaching 800 nm in cyclometalated Pt(II) complexes.","Chemical communications (Cambridge, England)","2026","62","39","9904","9908","10.1039/d6cc01319h","","","0.71073","MoKα","","0.0497","0.0444","","","0.114","0.1188","","","","","","1.062","","","","has coordinates","306186","2026-06-04","03:40:05",""
"7135887","12.6435","0.0011","19.402","0.002","22.375","0.003","90","","90","","90","","5488.8","1","200","","200","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C56 H38 Cl4 N6 Pt2 S6 -","- C54 H34 N6 Pt2 S6 -","- C216 H136 N24 Pt8 S24 -","4","1","","Gu, Shilin; Li, Dongsheng; Long, Deng; Yu, Xinglin; Li, Wentao; Ma, Sihan; Tao, Peng","Unlocking efficient near-infrared circularly polarized phosphorescence reaching 800 nm in cyclometalated Pt(II) complexes.","Chemical communications (Cambridge, England)","2026","62","39","9904","9908","10.1039/d6cc01319h","","","0.71073","MoKα","","0.0449","0.0362","","","0.0839","0.0877","","","","","","1.005","","","","has coordinates","306186","2026-06-04","03:40:05",""
"7135888","11.2864","0.0005","15.3857","0.0006","12.0821","0.0006","90","","98.285","0.002","90","","2076.15","0.16","150","","150","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C48 H34 F2 N4 Pt2 S4 -","- C48 H34 F2 N4 Pt2 S4 -","- C96 H68 F4 N8 Pt4 S8 -","2","1","","Gu, Shilin; Li, Dongsheng; Long, Deng; Yu, Xinglin; Li, Wentao; Ma, Sihan; Tao, Peng","Unlocking efficient near-infrared circularly polarized phosphorescence reaching 800 nm in cyclometalated Pt(II) complexes.","Chemical communications (Cambridge, England)","2026","62","39","9904","9908","10.1039/d6cc01319h","","","0.71073","MoKα","","0.0159","0.0146","","","0.0285","0.0288","","","","","","1.017","","","","has coordinates","306186","2026-06-04","03:40:05",""
"7135889","19.067","0.004","9.932","0.002","27.276","0.006","90","","110.27","0.03","90","","4845","2","100","0.2","100.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C53 H57 N5 O15 -","- C53 H57 N5 O15 -","- C212 H228 N20 O60 -","4","1","","Murrell, William D.; Coomber, Daniel A.; Hua, Carol; Macreadie, Lauren K.; Pfeffer, Frederick M.","Overcoming interpenetration in ladder frameworks using a large readily accessible aliphatic linker.","Chemical communications (Cambridge, England)","2026","62","40","10211","10215","10.1039/d6cc01098a","","","0.710759","Synchrotron","","0.0706","0.0682","","","0.1914","0.1968","","","","","","1.058","","","","has coordinates","306187","2026-06-04","03:40:40",""
"7135890","9.842","0.002","18.321","0.004","23.883","0.005","90","","90","","90","","4306.5","1.6","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C23 H28 O8 -","- C23 H28 O8 -","- C184 H224 O64 -","8","1","","Murrell, William D.; Coomber, Daniel A.; Hua, Carol; Macreadie, Lauren K.; Pfeffer, Frederick M.","Overcoming interpenetration in ladder frameworks using a large readily accessible aliphatic linker.","Chemical communications (Cambridge, England)","2026","62","40","10211","10215","10.1039/d6cc01098a","","","0.710918","Synchrotron","","0.0938","0.0923","","","0.2094","0.2104","","","","","","1.07","","","","has coordinates,has disorder","306187","2026-06-04","03:40:40",""
"7135891","10.332","0.002","28.578","0.006","45.068","0.009","87.24","0.03","87.12","0.03","89.99","0.03","13275","5","99.15","","100","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C154 H157 Cl3 N16 O54 Zn2 -","- C154 H157 Cl3 N16 O54 Zn2 -","- C308 H314 Cl6 N32 O108 Zn4 -","2","1","","Murrell, William D.; Coomber, Daniel A.; Hua, Carol; Macreadie, Lauren K.; Pfeffer, Frederick M.","Overcoming interpenetration in ladder frameworks using a large readily accessible aliphatic linker.","Chemical communications (Cambridge, England)","2026","62","40","10211","10215","10.1039/d6cc01098a","","","0.71073","Synchrotron","","0.2415","0.1812","","","0.4591","0.5016","","","","","","1.508","","","","has coordinates,has disorder","306187","2026-06-04","03:40:40",""
"7135892","13.1931","0.0008","13.6074","0.0008","15.3277","0.001","87.493","0.002","77.894","0.002","85.863","0.002","2682.3","0.3","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C115 H136 Ge2 K2 P2 Ru2 -","- C115 H136 Ge2 K2 P2 Ru2 -","- C115 H136 Ge2 K2 P2 Ru2 -","1","0.5","","Seeger, Frederic; Renz, Liesa; Wesemann, Lars","Tetrylidyne coordination modes: vinyl-type germa-ruthena anion [RuGe:]<sup>-</sup> and its reaction with monofluorobenzene.","Chemical communications (Cambridge, England)","2026","62","36","9198","9202","10.1039/d6cc01226d","","","0.71073","MoKα","","0.125","0.0853","","","0.1844","0.1981","","","","","","1.131","","","","has coordinates,has disorder","306188","2026-06-04","03:41:18",""
"7135893","12.5095","0.0003","13.2731","0.0004","21.4516","0.0008","89.463","0.002","82.266","0.002","65.479","0.001","3206.83","0.17","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C151 H166 Au2 Ge2 P4 Ru2 -","- C151 H166 Au2 Ge2 P4 Ru2 -","- C151 H166 Au2 Ge2 P4 Ru2 -","1","0.5","","Seeger, Frederic; Renz, Liesa; Wesemann, Lars","Tetrylidyne coordination modes: vinyl-type germa-ruthena anion [RuGe:]<sup>-</sup> and its reaction with monofluorobenzene.","Chemical communications (Cambridge, England)","2026","62","36","9198","9202","10.1039/d6cc01226d","","","0.71073","MoKα","","0.0563","0.0377","","","0.0713","0.0767","","","","","","1.057","","","","has coordinates,has disorder","306188","2026-06-04","03:41:18",""
"7135894","12.9143","0.0003","14.103","0.0004","16.5775","0.0004","67.924","0.001","75.628","0.001","68.503","0.001","2581.82","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H64 F5 Ge P Ru -","- C60 H64 F5 Ge P Ru -","- C120 H128 F10 Ge2 P2 Ru2 -","2","1","","Seeger, Frederic; Renz, Liesa; Wesemann, Lars","Tetrylidyne coordination modes: vinyl-type germa-ruthena anion [RuGe:]<sup>-</sup> and its reaction with monofluorobenzene.","Chemical communications (Cambridge, England)","2026","62","36","9198","9202","10.1039/d6cc01226d","","","0.71073","MoKα","","0.0344","0.0261","","","0.0608","0.064","","","","","","1.025","","","","has coordinates","306188","2026-06-04","03:41:18",""
"7135895","13.0284","0.0003","12.3512","0.0003","17.2539","0.0004","90","","111.991","0.001","90","","2574.43","0.11","100","2","100","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C60 H68 F Ge P Ru -","- C60 H68 F Ge P Ru -","- C120 H136 F2 Ge2 P2 Ru2 -","2","1","","Seeger, Frederic; Renz, Liesa; Wesemann, Lars","Tetrylidyne coordination modes: vinyl-type germa-ruthena anion [RuGe:]<sup>-</sup> and its reaction with monofluorobenzene.","Chemical communications (Cambridge, England)","2026","62","36","9198","9202","10.1039/d6cc01226d","","","0.71073","MoKα","","0.0252","0.0241","","","0.0597","0.0605","","","","","","1.026","","","","has coordinates","306188","2026-06-04","03:41:18",""
"7135896","18.1537","0.0005","18.466","0.0004","23.0398","0.0006","90","","95.845","0.001","90","","7683.4","0.3","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C78 H112 Ge K O12 P Ru -","- C78 H112 Ge K O12 P Ru -","- C312 H448 Ge4 K4 O48 P4 Ru4 -","4","1","","Seeger, Frederic; Renz, Liesa; Wesemann, Lars","Tetrylidyne coordination modes: vinyl-type germa-ruthena anion [RuGe:]<sup>-</sup> and its reaction with monofluorobenzene.","Chemical communications (Cambridge, England)","2026","62","36","9198","9202","10.1039/d6cc01226d","","","0.71073","MoKα","","0.0563","0.0536","","","0.1332","0.1353","","","","","","1.035","","","","has coordinates,has disorder","306188","2026-06-04","03:41:18",""
"7135897","12.4809","0.0004","14.0176","0.0005","17.7133","0.0007","91.403","0.002","90.159","0.002","113.144","0.002","2848.46","0.18","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H76 Cl Ge P Ru -","- C66 H76 Cl Ge P Ru -","- C132 H152 Cl2 Ge2 P2 Ru2 -","2","1","","Seeger, Frederic; Renz, Liesa; Wesemann, Lars","Tetrylidyne coordination modes: vinyl-type germa-ruthena anion [RuGe:]<sup>-</sup> and its reaction with monofluorobenzene.","Chemical communications (Cambridge, England)","2026","62","36","9198","9202","10.1039/d6cc01226d","","","0.71073","MoKα","","0.0268","0.0248","","","0.061","0.0626","","","","","","1.025","","","","has coordinates","306188","2026-06-04","03:41:18",""
"7135898","18.4602","0.0004","19.827","0.0005","32.1431","0.0009","90","","90","","90","","11764.7","0.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C66 H90 B2 Fe2 N2 -","- C66 H90 B2 Fe2 N2 -","- C528 H720 B16 Fe16 N16 -","8","1","","Schütz, Vivien; Kroth, Jonas; Handrup, Kathrin; Klopf, Jonas; Friedrich, Alexandra; Helten, Holger","Incorporation of ferrocene moieties into the backbone of BCN hybrid polymers <i>via</i> 1,3-linkage.","Chemical communications (Cambridge, England)","2026","62","35","8964","8968","10.1039/d6cc01471b","","x-ray","1.54184","CuKα","K-L~2,3~","0.0945","0.0585","","","0.1415","0.1595","","","","","","1.032","","","","has coordinates,has disorder","306190","2026-06-04","03:42:22",""
"7135899","17.243","0.003","10.7263","0.0019","18.391","0.005","90","","104.047","0.009","90","","3299.8","1.2","107","2","107","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H47 B Br Fe N -","- C36 H47 B Br Fe N -","- C144 H188 B4 Br4 Fe4 N4 -","4","1","","Schütz, Vivien; Kroth, Jonas; Handrup, Kathrin; Klopf, Jonas; Friedrich, Alexandra; Helten, Holger","Incorporation of ferrocene moieties into the backbone of BCN hybrid polymers <i>via</i> 1,3-linkage.","Chemical communications (Cambridge, England)","2026","62","35","8964","8968","10.1039/d6cc01471b","","x-ray","0.71073","MoKα","K-L~2,3~","0.0421","0.0366","","","0.0949","0.0993","","","","","","1.051","","","","has coordinates","306190","2026-06-04","03:42:22",""
"7135900","23.367","0.005","13.094","0.003","8.694","0.003","90","","90","","90","","2660.1","1.2","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C30 H35 B Br Fe N -","- C30 H35 B Br Fe N -","- C120 H140 B4 Br4 Fe4 N4 -","4","1","","Schütz, Vivien; Kroth, Jonas; Handrup, Kathrin; Klopf, Jonas; Friedrich, Alexandra; Helten, Holger","Incorporation of ferrocene moieties into the backbone of BCN hybrid polymers <i>via</i> 1,3-linkage.","Chemical communications (Cambridge, England)","2026","62","35","8964","8968","10.1039/d6cc01471b","","x-ray","0.71073","MoKα","K-L~2,3~","0.0545","0.048","","","0.1007","0.1033","","","","","","1.11","","","","has coordinates","306190","2026-06-04","03:42:22",""
"7135901","11.533","0.003","11.026","0.003","34.657","0.01","90","","94.159","0.009","90","","4395","2","100","2","100","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C46 H52 B2 Br2 Cl2 Fe N2 -","- C46 H52 B2 Br2 Cl2 Fe N2 -","- C184 H208 B8 Br8 Cl8 Fe4 N8 -","4","1","","Schütz, Vivien; Kroth, Jonas; Handrup, Kathrin; Klopf, Jonas; Friedrich, Alexandra; Helten, Holger","Incorporation of ferrocene moieties into the backbone of BCN hybrid polymers <i>via</i> 1,3-linkage.","Chemical communications (Cambridge, England)","2026","62","35","8964","8968","10.1039/d6cc01471b","","x-ray","0.71073","MoKα","K-L~2,3~","0.0677","0.0507","","","0.1078","0.1173","","","","","","1.038","","","","has coordinates","306190","2026-06-04","03:42:22",""
"7135902","9.0915","0.0014","13.861","0.003","20.005","0.004","90","","96.425","0.015","90","","2505.1","0.8","111","2","111","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H70 B2 Fe2 N2 -","- C60 H70 B2 Fe2 N2 -","- C120 H140 B4 Fe4 N4 -","2","0.5","","Schütz, Vivien; Kroth, Jonas; Handrup, Kathrin; Klopf, Jonas; Friedrich, Alexandra; Helten, Holger","Incorporation of ferrocene moieties into the backbone of BCN hybrid polymers <i>via</i> 1,3-linkage.","Chemical communications (Cambridge, England)","2026","62","35","8964","8968","10.1039/d6cc01471b","","x-ray","0.71073","MoKα","K-L~2,3~","0.0665","0.0494","","","0.1073","0.1148","","","","","","1.077","","","","has coordinates","306190","2026-06-04","03:42:22",""
"7135903","7.0676","0.0011","19.32","0.003","5.557","0.0009","90","","90","","90","","758.8","0.2","298","","298","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C4 H6 K3 Na O14 Rb2 -","- C4 H6 K3 Na O14 Rb2 -","- C8 H12 K6 Na2 O28 Rb4 -","2","0.5","","Iqbal, Muhammad Mujahid; Elkik, Hussin; Liu, Changyou; Munawar, Aqsa; Chen, Zilong; Yang, Zhihua; Zhang, Fangfang; Pan, Shilie","Synthesis and characterization of mixed carbonate and bicarbonate materials as candidates for deep-UV applications.","Chemical communications (Cambridge, England)","2026","62","34","8710","8713","10.1039/d6cc01327a","","","0.71073","MoKα","","0.0231","0.022","","","0.0561","0.0565","","","","","","1.135","","","","has coordinates,has disorder","306191","2026-06-04","03:42:53",""
"7135904","7.044","0.0005","19.2638","0.0014","5.5612","0.0003","90","","90","","90","","754.62","0.09","298","","298","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C4 H6 K3.6 Na O14 Rb1.4 -","- C4 H6 K3.6 Na O14 Rb1.4 -","- C8 H12 K7.2 Na2 O28 Rb2.8 -","2","0.5","","Iqbal, Muhammad Mujahid; Elkik, Hussin; Liu, Changyou; Munawar, Aqsa; Chen, Zilong; Yang, Zhihua; Zhang, Fangfang; Pan, Shilie","Synthesis and characterization of mixed carbonate and bicarbonate materials as candidates for deep-UV applications.","Chemical communications (Cambridge, England)","2026","62","34","8710","8713","10.1039/d6cc01327a","","","0.71073","MoKα","","0.0265","0.0236","","","0.0522","0.0533","","","","","","0.858","","","","has coordinates","306191","2026-06-04","03:42:53",""
"7135905","16.707","0.002","5.6033","0.0006","13.8756","0.0019","90","","103.955","0.005","90","","1260.6","0.3","298","","298","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C4 H2 K5 Na O12 -","- C4 H2 K5 Na O12 -","- C16 H8 K20 Na4 O48 -","4","0.5","","Iqbal, Muhammad Mujahid; Elkik, Hussin; Liu, Changyou; Munawar, Aqsa; Chen, Zilong; Yang, Zhihua; Zhang, Fangfang; Pan, Shilie","Synthesis and characterization of mixed carbonate and bicarbonate materials as candidates for deep-UV applications.","Chemical communications (Cambridge, England)","2026","62","34","8710","8713","10.1039/d6cc01327a","","","0.71073","MoKα","","0.0262","0.0184","","","0.0486","0.051","","","","","","1.0397","","","","has coordinates","306191","2026-06-04","03:42:53",""
"7135906","16.1022","0.0004","7.1059","0.0002","27.7748","0.0007","90","","90","","90","","3178.01","0.14","298.03","0.18","298.03","0.18","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H14 I N O2 -","- C17 H14 I N O2 -","- C136 H112 I8 N8 O16 -","8","1","","Seki, Tomohiro; Ishikawa, Rintaro; Yamamoto, Kaisei; Hibino, Ritsu; Moriya, Makoto","The temperature-controllable photomechanical behavior of an α-isocyanostilbene derivative.","Chemical communications (Cambridge, England)","2026","62","38","9685","9689","10.1039/d6cc00616g","","x-ray","1.54184","CuKα","","0.0783","0.0668","","","0.1697","0.1789","","","","","","1.073","","","","has coordinates","306192","2026-06-04","03:43:11",""
"7135907","11.2144","0.0003","14.0636","0.0003","19.9281","0.0005","90","","97.398","0.002","90","","3116.79","0.13","173","0.1","173","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H28 I2 N2 O4 -","- C34 H28 I2 N2 O4 -","- C136 H112 I8 N8 O16 -","4","1","","Seki, Tomohiro; Ishikawa, Rintaro; Yamamoto, Kaisei; Hibino, Ritsu; Moriya, Makoto","The temperature-controllable photomechanical behavior of an α-isocyanostilbene derivative.","Chemical communications (Cambridge, England)","2026","62","38","9685","9689","10.1039/d6cc00616g","","x-ray","1.54184","CuKα","","0.0604","0.0545","","","0.1464","0.1549","","","","","","1.011","","","","has coordinates","306192","2026-06-04","03:43:11",""
"7135908","16.1063","0.0006","7.0543","0.0005","27.6933","0.001","90","","90","","90","","3146.5","0.3","223","0.1","223","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H14 I N O2 -","- C17 H14 I N O2 -","- C136 H112 I8 N8 O16 -","8","1","","Seki, Tomohiro; Ishikawa, Rintaro; Yamamoto, Kaisei; Hibino, Ritsu; Moriya, Makoto","The temperature-controllable photomechanical behavior of an α-isocyanostilbene derivative.","Chemical communications (Cambridge, England)","2026","62","38","9685","9689","10.1039/d6cc00616g","","x-ray","1.54184","CuKα","","0.1014","0.0805","","","0.205","0.2185","","","","","","1.082","","","","has coordinates","306192","2026-06-04","03:43:11",""
"7135909","16.0875","0.0005","7.0639","0.0003","27.7232","0.0009","90","","90","","90","","3150.48","0.19","253","0.1","253","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H14 I N O2 -","- C17 H14 I N O2 -","- C136 H112 I8 N8 O16 -","8","1","","Seki, Tomohiro; Ishikawa, Rintaro; Yamamoto, Kaisei; Hibino, Ritsu; Moriya, Makoto","The temperature-controllable photomechanical behavior of an α-isocyanostilbene derivative.","Chemical communications (Cambridge, England)","2026","62","38","9685","9689","10.1039/d6cc00616g","","x-ray","1.54184","CuKα","","0.076","0.0635","","","0.1662","0.1749","","","","","","1.101","","","","has coordinates","306192","2026-06-04","03:43:11",""
"7135910","16.0629","0.0005","7.0075","0.0002","27.6441","0.0009","90","","90","","90","","3111.64","0.17","173.02","0.1","173.02","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H14 I N O2 -","- C17 H14 I N O2 -","- C136 H112 I8 N8 O16 -","8","1","","Seki, Tomohiro; Ishikawa, Rintaro; Yamamoto, Kaisei; Hibino, Ritsu; Moriya, Makoto","The temperature-controllable photomechanical behavior of an α-isocyanostilbene derivative.","Chemical communications (Cambridge, England)","2026","62","38","9685","9689","10.1039/d6cc00616g","","x-ray","1.54184","CuKα","","0.066","0.056","","","0.148","0.1591","","","","","","1.052","","","","has coordinates","306192","2026-06-04","03:43:11",""
"7135911","16.0841","0.0004","7.0891","0.0002","27.7472","0.0005","90","","90","","90","","3163.79","0.13","273","0.1","273","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H14 I N O2 -","- C17 H14 I N O2 -","- C136 H112 I8 N8 O16 -","8","1","","Seki, Tomohiro; Ishikawa, Rintaro; Yamamoto, Kaisei; Hibino, Ritsu; Moriya, Makoto","The temperature-controllable photomechanical behavior of an α-isocyanostilbene derivative.","Chemical communications (Cambridge, England)","2026","62","38","9685","9689","10.1039/d6cc00616g","","x-ray","1.54184","CuKα","","0.0738","0.0651","","","0.1989","0.2083","","","","","","1.083","","","","has coordinates","306192","2026-06-04","03:43:11",""
"7135912","14.9048","0.0019","21.474","0.003","26.501","0.003","110.495","0.005","100.234","0.006","97.695","0.007","7639.8","1.7","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C118 H101 F18 N11 O10 P7 Pd2 -","- C114 H94 F6 N11 O9 P5 Pd2 -","- C228 H188 F12 N22 O18 P10 Pd4 -","2","1","","Zhao, Song; Wei, Zhong; Wang, Yao; Geng, Guowei; Jing, Xu; Duan, Chunying","Squaramide-functionalized coordination capsule as hydrogen-bond-donor catalyst for efficient Friedel-Crafts alkylation.","Chemical communications (Cambridge, England)","2026","62","38","9716","9719","10.1039/d6cc01883a","","","1.34139","GaKα","","0.183","0.1371","","","0.3073","0.3421","","","","","","1.041","","","","has coordinates,has disorder","306193","2026-06-04","03:43:40",""
"7135913","22.1764","0.001","23.4544","0.0011","25.8084","0.0013","84.514","0.002","76.721","0.002","85.997","0.002","12989.2","1.1","170","","170","","","","","","","","","8","P -1","-P 1","2","","","","- C245 H257 B8 F32.03 N23 O14.94 P8 Pd4 -","- C209 H173 B5 F20.03 N11 O2.94 P8 Pd4 -","- C418 H346 B10 F40.06 N22 O5.88 P16 Pd8 -","2","1","","Zhao, Song; Wei, Zhong; Wang, Yao; Geng, Guowei; Jing, Xu; Duan, Chunying","Squaramide-functionalized coordination capsule as hydrogen-bond-donor catalyst for efficient Friedel-Crafts alkylation.","Chemical communications (Cambridge, England)","2026","62","38","9716","9719","10.1039/d6cc01883a","","","1.34138","GaKα","","0.0829","0.0709","","","0.2015","0.2143","","","","","","1.032","","","","has coordinates,has disorder","306193","2026-06-04","03:43:40",""
"7135914","11.5316","0.0003","12.1045","0.0004","15.9135","0.0005","97.883","0.003","105.717","0.003","104.068","0.003","2024.49","0.12","150","","150","","","","","","","","","3","P -1","-P 1","2","","","","- C30 H20 N2 -","- C30 H20 N2 -","- C120 H80 N8 -","4","2","","Inoue, Ryo; Hashimoto, Yusuke; Aoki, Atsushi; Furuyama, Taniyuki; Kubo, Kazuya; Morisaki, Yasuhiro; Agou, Tomohiro","2,7-Diazatriptycene: acid-responsive ternary fluorescence switching <i>via</i> modulation of through-space conjugation.","Chemical communications (Cambridge, England)","2026","62","38","9725","9729","10.1039/d6cc01046f","","x-ray","0.71073","MoKα","","0.0498","0.0397","","","0.0965","0.1028","","","","","","1.013","","","","has coordinates","306194","2026-06-04","03:44:03",""
"7135915","13.297","0.0004","21.4099","0.0007","14.5936","0.0004","90","","92.73","0.003","90","","4149.9","0.2","150","","150","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C36 H26 F12 N4 O9 S4 -","- C36 H26 F12 N4 O9 S4 -","- C144 H104 F48 N16 O36 S16 -","4","2","","Inoue, Ryo; Hashimoto, Yusuke; Aoki, Atsushi; Furuyama, Taniyuki; Kubo, Kazuya; Morisaki, Yasuhiro; Agou, Tomohiro","2,7-Diazatriptycene: acid-responsive ternary fluorescence switching <i>via</i> modulation of through-space conjugation.","Chemical communications (Cambridge, England)","2026","62","38","9725","9729","10.1039/d6cc01046f","","x-ray","0.71073","MoKα","","0.0677","0.0537","","","0.1279","0.1364","","","","","","1.045","","","","has coordinates,has disorder","306194","2026-06-04","03:44:03",""
"7135916","8.1489","0.0003","18.9495","0.0007","17.1033","0.0006","90","","90.103","0.003","90","","2641.05","0.17","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 Br2 N2 O2 -","- C30 H24 Br2 N2 O2 -","- C120 H96 Br8 N8 O8 -","4","1","","Inoue, Ryo; Hashimoto, Yusuke; Aoki, Atsushi; Furuyama, Taniyuki; Kubo, Kazuya; Morisaki, Yasuhiro; Agou, Tomohiro","2,7-Diazatriptycene: acid-responsive ternary fluorescence switching <i>via</i> modulation of through-space conjugation.","Chemical communications (Cambridge, England)","2026","62","38","9725","9729","10.1039/d6cc01046f","","x-ray","0.71073","MoKα","","0.0477","0.038","","","0.1092","0.1152","","","","","","1.047","","","","has coordinates,has disorder","306194","2026-06-04","03:44:03",""
"7135917","11.6575","0.0003","13.2664","0.0004","14.5139","0.0005","86.097","0.002","81.085","0.002","74.851","0.002","2139.55","0.11","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C37 H28 F12 N4 O9 S4 -","- C37 H28 F12 N4 O9 S4 -","- C74 H56 F24 N8 O18 S8 -","2","1","","Inoue, Ryo; Hashimoto, Yusuke; Aoki, Atsushi; Furuyama, Taniyuki; Kubo, Kazuya; Morisaki, Yasuhiro; Agou, Tomohiro","2,7-Diazatriptycene: acid-responsive ternary fluorescence switching <i>via</i> modulation of through-space conjugation.","Chemical communications (Cambridge, England)","2026","62","38","9725","9729","10.1039/d6cc01046f","","x-ray","0.71073","MoKα","","0.0896","0.0841","","","0.2409","0.2472","","","","","","1.021","","","","has coordinates","306194","2026-06-04","03:44:03",""
"7135918","13.7158","0.0004","19.9625","0.0006","21.2858","0.0007","90","","90","","90","","5828.1","0.3","150","","150","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C33 H29 F3 N2 O5 S -","- C33 H29 F3 N2 O5 S -","- C264 H232 F24 N16 O40 S8 -","8","1","","Inoue, Ryo; Hashimoto, Yusuke; Aoki, Atsushi; Furuyama, Taniyuki; Kubo, Kazuya; Morisaki, Yasuhiro; Agou, Tomohiro","2,7-Diazatriptycene: acid-responsive ternary fluorescence switching <i>via</i> modulation of through-space conjugation.","Chemical communications (Cambridge, England)","2026","62","38","9725","9729","10.1039/d6cc01046f","","x-ray","0.71073","MoKα","","0.0519","0.0403","","","0.0971","0.103","","","","","","1.067","","","","has coordinates","306194","2026-06-04","03:44:03",""
"7135919","8.1938","0.0001","20.2876","0.0003","39.8477","0.0006","90","","95.044","0.001","90","","6598.33","0.16","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H26 F6 N2 O8.5 S2 -","- C32 H26 F6 N2 O8.5 S2 -","- C256 H208 F48 N16 O68 S16 -","8","2","","Inoue, Ryo; Hashimoto, Yusuke; Aoki, Atsushi; Furuyama, Taniyuki; Kubo, Kazuya; Morisaki, Yasuhiro; Agou, Tomohiro","2,7-Diazatriptycene: acid-responsive ternary fluorescence switching <i>via</i> modulation of through-space conjugation.","Chemical communications (Cambridge, England)","2026","62","38","9725","9729","10.1039/d6cc01046f","","x-ray","0.71073","MoKα","","0.0769","0.0711","","","0.1925","0.1969","","","","","","1.067","","","","has coordinates,has disorder","306194","2026-06-04","03:44:03",""
"7135920","15.5435","0.0004","9.0705","0.0002","16.4587","0.0005","90","","117.152","0.004","90","","2064.75","0.12","224","20","224","20","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H26 O3 S -","- C22 H26 O3 S -","- C88 H104 O12 S4 -","4","1","","Ma, Shengming; Fan, Shiwen; Chen, Zhaoqiang; Li, Wenya; Qian, Hui","Pd-Catalyzed Regioselective Synthesis of Allenyl Sulfones via Sulfinate-Enabled Isomerization","Chemical Communications","2026","","","","","10.1039/D6CC02404A","","x-ray","1.54184","CuKα","","0.0537","0.0471","","","0.1364","0.1417","","","","","","1.059","","","","has coordinates","306513","2026-06-05","22:09:14",""
"7135921","12.33351","0.00014","12.39365","0.00012","17.62656","0.00017","78.8638","0.0008","85.9666","0.0009","82.7178","0.0009","2619.38","0.05","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C49 H33 B Cl2 F24 N3 O3 Rh -","- C49 H33 B Cl2 F24 N3 O3 Rh -","- C98 H66 B2 Cl4 F48 N6 O6 Rh2 -","2","1","","Roig, Nil; Alonso, Mercedes; Chaplin, Adrian B.","Vibrational solvatochromism of rhodium pybox carbonyl complexes mediated by hydrogen bonding","Chemical Communications","2026","","","","","10.1039/D6CC02481E","","x-ray","1.54184","CuKα","","0.0381","0.037","","","0.1032","0.104","","","","","","1.062","","","","has coordinates,has disorder","306514","2026-06-05","22:09:33",""
"7135922","12.72394","0.00019","14.65464","0.00013","15.0519","0.0002","69.2231","0.0011","85.7951","0.0012","80.8919","0.0012","2590.59","0.06","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C48 H31 B Cl2 F24 N3 O3 Rh -","- C48 H31 B Cl2 F24 N3 O3 Rh -","- C96 H62 B2 Cl4 F48 N6 O6 Rh2 -","2","1","","Roig, Nil; Alonso, Mercedes; Chaplin, Adrian B.","Vibrational solvatochromism of rhodium pybox carbonyl complexes mediated by hydrogen bonding","Chemical Communications","2026","","","","","10.1039/D6CC02481E","","x-ray","1.54184","CuKα","","0.0245","0.0243","","","0.0631","0.0633","","","","","","1.049","","","","has coordinates,has disorder","306514","2026-06-05","22:09:33",""
"7135923","8.7305","0.0002","17.1804","0.0003","25.2425","0.0005","90","","99.034","0.002","90","","3739.24","0.13","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","SD_VB_01","","- C44 H30 N6 O6 -","- C44 H30 N6 O6 -","- C176 H120 N24 O24 -","4","1","","Barman, Arindam; Das, Krishna Kanta; Hajra, Alakananda","PIDA-Mediated Oxidative Ring-Opening of 2H-Indazoles with N-Hydroxyphthalimide","Chemical Communications","2026","","","","","10.1039/D6CC01588C","","x-ray","0.71073","MoKα","","0.0747","0.0461","","","0.1107","0.1231","","","","","","1.045","","","","has coordinates","306546","2026-06-10","22:00:45",""
"7135924","4.13263608","","4.13263608","","9.20857818","","90","","90","","90","","157.27","","","","","","","","","","","","","4","P 4/n m m :1","P 4ab 2ab -1ab","129","","","","- As2 Fe2 La2 O2 -","- As Fe La O -","- As2 Fe2 La2 O2 -","2","0.125","","Banerjee, Hrishit","Dynamic correlation suppresses antiferromagnetism in heavily doped Fe-pnictide superconductor LaFeAsO1-xFx","Chemical Communications","2026","","","","","10.1039/D6CC02568D","","","","","","","","","","","","","","","","","","","","","has coordinates","306548","2026-06-11","21:58:12",""
"7135925","8.9675","0.0002","9.7971","0.0002","22.7498","0.0005","90","","90","","90","","1998.69","0.07","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H21 F3 O2 -","- C25 H21 F3 O2 -","- C100 H84 F12 O8 -","4","1","","Nelson, Eryn; Bisoyi, Rajesh; Wolf, Christian","Palladium-catalyzed Asymmetric Carbofluorination of gem-Difluorostyrenes with Cesium Fluoride and Allylic Acetates","Chemical Communications","2026","","","","","10.1039/D6CC02743A","","","1.54178","CuKα","","0.0282","0.0278","","","0.0726","0.073","","","","","","1.026","","","","has coordinates","306549","2026-06-11","21:58:21",""
"7135926","16.954","0.0003","20.1285","0.0003","5.7093","0.0001","90","","90","","90","","1948.35","0.06","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C23 H17 Cl2 F3 -","- C23 H17 Cl2 F3 -","- C92 H68 Cl8 F12 -","4","1","","Nelson, Eryn; Bisoyi, Rajesh; Wolf, Christian","Palladium-catalyzed Asymmetric Carbofluorination of gem-Difluorostyrenes with Cesium Fluoride and Allylic Acetates","Chemical Communications","2026","","","","","10.1039/D6CC02743A","","","1.54178","CuKα","","0.0316","0.0313","","","0.0842","0.0844","","","","","","1.05","","","","has coordinates","306549","2026-06-11","21:58:21",""
"7135927","4.6702","0.0001","12.4822","0.0002","37.9133","0.0007","90","","90","","90","","2210.13","0.07","298","","298","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H10 Cl N -","- C14 H10 Cl N -","- C112 H80 Cl8 N8 -","8","2","","Zheng, Yuting; Liao, Minghong; Hao, Gefei; Jin, Linhong; Jayawardana, Barana C.; Marambe, B.; Xiong, Qiang; Wu, Xingxing","Catalytic Enantioselective Access to N(III)-Stereogenic Aziridines via Chiral Brønsted Acid-Catalyzed N–Cl Bond Formation","Chemical Communications","2026","","","","","10.1039/D6CC02512A","","","1.54178","CuKα","","0.0312","0.0303","","","0.0797","0.0803","","","","","","1.062","","","","has coordinates","306550","2026-06-11","21:58:52",""
"7135928","24.4413","0.0017","15.6786","0.0009","12.9303","0.0009","90","","104.027","0.005","90","","4807.2","0.6","193","","193","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H17 N23 O34 -","- C36 H17 N23 O34 -","- C144 H68 N92 O136 -","4","1","","Li, Chengchuang; Zhu, Teng; Zhang, Linan; Tang, Jie; Cheng, Yangfan; Wang, Quan; Cheng, Guangbin; Xiao, Chuan; Yang, Hongwei","Construction of Ultra-Heat-Resistant Explosives via a Strategy of Building Hydrogen-Bond Networks in Heterocyclic Bridges","Chemical Communications","2026","","","","","10.1039/D6CC03037H","","","1.54178","CuKα","","0.1143","0.067","","","0.1569","0.1914","","","","","","1.02","","","","has coordinates,has disorder","306551","2026-06-11","21:59:05",""
"7135929","53.01","0.015","7.1911","0.0017","37.089","0.009","90","","92.411","0.008","90","","14126","6","224","","224","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C186 H194 N112 O151 -","- C186 H193.999 N112 O151 -","- C372 H387.998 N224 O302 -","2","0.25","","Li, Chengchuang; Zhu, Teng; Zhang, Linan; Tang, Jie; Cheng, Yangfan; Wang, Quan; Cheng, Guangbin; Xiao, Chuan; Yang, Hongwei","Construction of Ultra-Heat-Resistant Explosives via a Strategy of Building Hydrogen-Bond Networks in Heterocyclic Bridges","Chemical Communications","2026","","","","","10.1039/D6CC03037H","","","1.54178","CuKα","","0.1886","0.0932","","","0.2218","0.2852","","","","","","1.086","","","","has coordinates,has disorder","306551","2026-06-11","21:59:05",""
"7135930","8.1246","0.0011","6.4322","0.0006","16.443","0.002","90","","95.607","0.012","90","","855.18","0.18","296","0.1","296","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H8 O S -","- C10 H8 O S -","- C40 H32 O4 S4 -","4","1","","Yuan, Yilong; Huang, Jialun; Huang, Haichao; Hu, Zhangli; Tao, Xinlei; Liu, Tianhua; Wu, Si-Hai; Wang, Lianhui","Organic base-promoted formal [4+1] cycloaddition of vinylethylene carbonates with elemental sulfur to facile access to thiophenones","Chemical Communications","2026","","","","","10.1039/D6CC03128E","","x-ray","0.71073","MoKα","","0.1073","0.0631","","","0.1064","0.1267","","","","","","1.065","","","","has coordinates","306552","2026-06-11","21:59:24",""
"7135931","5.6984","0.0004","15.3217","0.001","8.7311","0.0005","90","","93.902","0.002","90","","760.54","0.08","300","","300","","","","","","","","open air","5","P 1 21/c 1","-P 2ybc","14","","Int-I","","- C7 H7 N O S -","- C7 H7 N O S -","- C28 H28 N4 O4 S4 -","4","1","","Desai, Krishnarao Jeyaram; Pratheepkumar, Annamalai","Blue LED-Driven Synthesis of Benzoyl-Guanidine Hybrids via Radical-Radical Cross-Coupling","Chemical Communications","2026","","","","","10.1039/D6CC01721E","","","0.71073","MoKα","","0.0778","0.0544","","","0.1207","0.137","","","","","","1.063","","","","has coordinates","306558","2026-06-12","21:55:18",""
"7135932","9.7045","0.0005","16.1879","0.0008","20.9911","0.001","90","","90","","90","","3297.6","0.3","298","","298","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(Z)-N-((phenylamino)(piperidin-1-yl)methylene)benzamide","","- C19 H21 N3 O -","- C19 H21 N3 O -","- C152 H168 N24 O8 -","8","1","","Desai, Krishnarao Jeyaram; Pratheepkumar, Annamalai","Blue LED-Driven Synthesis of Benzoyl-Guanidine Hybrids via Radical-Radical Cross-Coupling","Chemical Communications","2026","","","","","10.1039/D6CC01721E","","x-ray","0.71073","MoKα","","0.1037","0.0642","","","0.1681","0.1932","","","","","","1.04","","","","has coordinates","306558","2026-06-12","21:55:18",""
"7135933","18.9255","0.0004","10.0582","0.0002","16.7712","0.0004","90","","108.759","0.001","90","","3022.92","0.11","193","","193","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C41 H24 F6 -","- C41 H24 F6 -","- C164 H96 F24 -","4","1","","Zhou, Laiyun; Bai, Yanru; Zhao, Yangyang; Liu, Guanghua; Rao, Bin; Zhang, Zhicheng; Wang, Qing","Synthesis and Characterizations of A π-Extended Nonbenzenoid Perylene","Chemical Communications","2026","","","","","10.1039/D6CC02382G","","x-ray","1.54178","CuKα","","0.1025","0.0794","","","0.2054","0.2177","","","","","","1.095","","","","has coordinates,has disorder","306565","2026-06-15","22:03:22",""
"7135934","29.26","0.03","9.061","0.007","29.39","0.03","90","","113.23","0.03","90","","7160","12","193","","193","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C42 H30 F6 O2 -","- C42 H30 F6 O2 -","- C336 H240 F48 O16 -","8","1","","Zhou, Laiyun; Bai, Yanru; Zhao, Yangyang; Liu, Guanghua; Rao, Bin; Zhang, Zhicheng; Wang, Qing","Synthesis and Characterizations of A π-Extended Nonbenzenoid Perylene","Chemical Communications","2026","","","","","10.1039/D6CC02382G","","x-ray","1.34139","GaKα","","0.2402","0.0993","","","0.2422","0.3208","","","","","","0.998","","","","has coordinates,has disorder","306565","2026-06-15","22:03:22",""
"7135935","5.2679","0.0002","10.7453","0.0005","22.8596","0.001","90","","93.002","0.002","90","","1292.2","0.1","273.15","","273.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Mono-selenylated arylamide","SM-761","","- C13 H10 Cl N O Se -","- C13 H10 Cl N O Se -","- C52 H40 Cl4 N4 O4 Se4 -","4","1","","Mishra, Saksham; Kumar, Amit","Additive Controlled Switchable Mono-vs. Di-Selenylation of Primary Arylamides via Ru(II) Catalyzed C-H activation","Chemical Communications","2026","","","","","10.1039/D6CC01620K","","","0.71073","MoKα","","0.0862","0.0436","","","0.1293","0.1759","","","","","","1.086","","","","has coordinates","306566","2026-06-15","22:03:33",""
"7135936","5.0631","0.0013","8.94","0.002","15.051","0.004","97.607","0.012","91.807","0.012","105.462","0.012","649.2","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","4-(phenylselanyl)benzo[d][1,3]dioxole-5-carboxamide","","- C14 H11 N O3 Se -","- C14 H11 N O3 Se -","- C28 H22 N2 O6 Se2 -","2","1","","Mishra, Saksham; Kumar, Amit","Additive Controlled Switchable Mono-vs. Di-Selenylation of Primary Arylamides via Ru(II) Catalyzed C-H activation","Chemical Communications","2026","","","","","10.1039/D6CC01620K","","","0.71076","MoKα","","0.104","0.0709","","","0.1827","0.2127","","","","","","1.261","","","","has coordinates","306566","2026-06-15","22:03:33",""
"7135937","6.0064","0.0002","10.9329","0.0004","23.1967","0.0009","90","","90","","90","","1523.27","0.1","223","","223","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H19 N -","- C20 H19 N -","- C80 H76 N4 -","4","1","","Peng, Hao-Yu; Ji, Shun-Jun; Cai, Zhong-Jian","Palladium-catalyzed regioselective hydrofunctionalization of methylenecyclopropanes (MCPs) with azaaryl alcohols as latent C(sp3 )-nucleophiles","Chemical Communications","2026","","","","","10.1039/D6CC02809H","","","0.71073","MoKα","","0.042","0.0357","","","0.118","0.1265","","","","","","0.978","","","","has coordinates","306575","2026-06-16","21:57:42",""
"7135938","9.7678","0.0002","12.11","0.0002","13.3203","0.0002","63.421","0.001","69.003","0.001","77.557","0.001","1312.68","0.04","297","","297","","","","","","","","","5","P -1","-P 1","2","","","","- C24.38 H16.38 Cl1.12 F6 N4 -","- C24 H16 F6 N4 -","- C48 H32 F12 N8 -","2","1","","Yu, Xiaowen; Kong, Weiguang; Fan, Feifei; Huang, Yanfan; Shi, Shukui; Xie, Huanping; Sheng, Heyun; Li, Ting","Cu-Catalyzed Interrupted [3 + 2] Cycloaddition of Trifluoroacetonitrile Imines with Terminal Alkynes: Facile Access to Diverse Tetrasubstituted 3-Trifluoromethyl Pyrazoles","Chemical Communications","2026","","","","","10.1039/D6CC02668K","","","1.54184","CuKα","","0.0834","0.0786","","","0.2444","0.2544","","","","","","1.049","","","","has coordinates","306576","2026-06-16","21:57:55",""
"7135939","10.7684","0.0005","11.3415","0.0006","13.0475","0.0006","86.366","0.002","66.341","0.002","89.546","0.002","1456.35","0.12","298","2","298","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H22 Br2 F6 N4 -","- C28 H22 Br2 F6 N4 -","- C56 H44 Br4 F12 N8 -","2","1","","Yu, Xiaowen; Kong, Weiguang; Fan, Feifei; Huang, Yanfan; Shi, Shukui; Xie, Huanping; Sheng, Heyun; Li, Ting","Cu-Catalyzed Interrupted [3 + 2] Cycloaddition of Trifluoroacetonitrile Imines with Terminal Alkynes: Facile Access to Diverse Tetrasubstituted 3-Trifluoromethyl Pyrazoles","Chemical Communications","2026","","","","","10.1039/D6CC02668K","","","0.71073","MoKα","","0.0789","0.0554","","","0.1506","0.1711","","","","","","1.042","","","","has coordinates","306576","2026-06-16","21:57:55",""
"7135940","12.8704","0.0005","6.3555","0.0002","29.2525","0.0013","90","","97.402","0.004","90","","2372.85","0.16","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 N2 O3 -","- C30 H24 N2 O3 -","- C120 H96 N8 O12 -","4","1","","Rajkumar, Karthikeyan; Dhiman, Shikha; Vijayan, Veena; Jagtap, Vinita; Singh, Ashutosh; Kamble, Akshay; Pandey, Amit Kumar; Sharma, Satyasheel","Ruthenium(II)-Catalyzed Regioselective C8-H Acyloxylation of Indolizines with Carboxylic Acids","Chemical Communications","2026","","","","","10.1039/D6CC03554J","","x-ray","0.71073","MoKα","","0.085","0.0518","","","0.1344","0.1538","","","","","","1.056","","","","has coordinates","306577","2026-06-16","21:58:03",""
"7135941","18.2171","0.0012","5.8641","0.0004","22.9814","0.0017","90","","109.053","0.002","90","","2320.5","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H10 O S -","- C16 H10 O S -","- C128 H80 O8 S8 -","8","2","","Rani, Himani; Hussain , Yaseen; Chauhan, Pankaj","Accessing thiophene-fused furans via visible light photoredoxcatalyzed [3+2]-annulation reaction","Chemical Communications","2026","","","","","10.1039/D6CC02260J","","","0.71073","MoKα","","0.0661","0.0637","","","0.173","0.1757","","","","","","1.064","","","","has coordinates","306578","2026-06-16","21:58:09",""
"7135942","10.4446","0.0003","8.625","0.0003","23.8746","0.0008","90","","100.612","0.001","90","","2113.95","0.12","132","2","132","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H29 B N2 O2 -","- C23 H29 B N2 O2 -","- C92 H116 B4 N8 O8 -","4","1","","Mondal, Reetu Rani; Mondal, Rahul; Geetharani, K.","Shedding Light on the N=N Bond: Unlocking Rapid, Catalyst-Free Direct Hydroboration of Azoarenes","Chemical Communications","2026","","","","","10.1039/D6CC03107B","","","0.71073","MoKα","","0.0884","0.0704","","","0.1907","0.2018","","","","","","1.341","","","","has coordinates","306583","2026-06-17","21:58:48",""
"7135943","13.998","0.0017","6.718","0.0009","17.197","0.002","90","","90","","90","","1617.2","0.3","296.15","","296.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C5 H3 N7 O5 -","- C5 H3 N7 O5 -","- C40 H24 N56 O40 -","8","1","","Li, Congcong; Yin, Hongquan; Ma, Qing; Chen, Fu-Xue","Fused Pyrazolo[3,4-d]pyridazine N-Oxides with Balanced Detonation Performance and Safety","Chemical Communications","2026","","","","","10.1039/D6CC02638A","","","1.34139","GaKα","","0.0398","0.0351","","","0.0879","0.0908","","","","","","1.065","","","","has coordinates,has disorder","306584","2026-06-17","21:58:54",""
"7135944","6.14","","6.14","","21.583","","90","","90","","120","","704.659","","293","2","293","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- H4 Mo2 O11 Zn3 -","- H3.9998 Mo2 O11 Zn3 -","- H11.9994 Mo6 O33 Zn9 -","3","0.0833333","","Smith, Paul F.; Kiesewetter, Logan; Odle, Cheyann Jean; Collaboration, The smSFX; Pham, Joyce","Zn3-xH2x(OH)2(MoO4)2•H2O: A crystallographically accurate Φy-type structure of “Zn5Mo2O11•5H2O”","Chemical Communications","2026","","","","","10.1039/D6CC02084D","","","0.83","XFEL","","0.0882","0.0856","","","0.2191","0.2251","","","","","","1.169","","","","has coordinates,has disorder","306591","2026-06-18","21:58:04",""
"7135945","6.14252","0.00024","6.14252","","21.5889","0.0007","90","","90","","120","","705.43","0.04","298","","298","","","","100","","","","","4","R -3 m :H","-R 3 2""","166","","","","- H5 Mo2 O11 Zn2.503 -","- H4.9998 Mo2 O11 Zn2.5026 -","- H14.9994 Mo6 O33 Zn7.5078 -","3","0.0833333","","Smith, Paul F.; Kiesewetter, Logan; Odle, Cheyann Jean; Collaboration, The smSFX; Pham, Joyce","Zn3-xH2x(OH)2(MoO4)2•H2O: A crystallographically accurate Φy-type structure of “Zn5Mo2O11•5H2O”","Chemical Communications","2026","","","","","10.1039/D6CC02084D","powder diffraction","neutron","","","","","","","","0.02374","","0.10665","","2.145","","","","","","","has coordinates","306591","2026-06-18","21:58:04",""
"7135946","9.4821","0.0005","9.8279","0.0006","15.9646","0.0006","97.558","0.004","101.377","0.004","110.287","0.005","1335.29","0.13","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H80 N8 O12 Si8 -","- C36 H80 N8 O12 Si8 -","- C36 H80 N8 O12 Si8 -","1","0.5","","Seino, Yuya; Tonai, Norimitsu; Kaneko, Yoshiro","Structure-encoded anion inclusion in siloxane-based hybrid cages derived from stereoregular cyclic tetrasiloxanes","Chemical Communications","2026","","","","","10.1039/D6CC02766K","","x-ray","1.54184","CuKα","","0.0691","0.0632","","","0.164","0.1763","","","","","","1.067","","","","has coordinates","306592","2026-06-18","21:58:11",""
"7135947","10.346","0.003","10.346","","44.58","0.015","90","","90","","90","","4772","2","200","","200","","","","","","","","","4","P 43","P 4cw","78","Boc-ACPC6-OEG2OMe","","","- C46 H74 N6 O11 -","- C46 H74 N6 O11 -","- C184 H296 N24 O44 -","4","1","","Park, Yi Sak; Lee, So-Mang; Koo, Sungmo; Gong, Jintaek; Hong, Jungwoo; Yoo, Sung Hyun; Lee, Hee-Seung","Chiral Supramolecular Alloys: Programmable 2D–3D Control via Co-assembly of Isomorphous β-Peptide Foldamers","Chemical Communications","2026","","","","","10.1039/D6CC02119K","","","0.71073","MoKα","","0.1375","0.1126","","","0.3118","0.3379","","","","","","1.302","","","","has coordinates,has disorder","306600","2026-06-19","22:07:07",""
"7135948","16.8789","0.0005","16.8789","0.0005","10.2992","0.0005","90","","90","","90","","2934.21","0.19","100.15","","100.15","","","","","","","","","5","I -4","I -4","82","","","","- C16 H15 Fe O Sb -","- C16 H15 Fe O Sb -","- C128 H120 Fe8 O8 Sb8 -","8","1","","Thakur, Arunabha; Bedajna, Shantabh; Karimi, Mohammadjavad; Gabbaï, François P.","Macrocyclic stibine-bridged [1.1.1] and [1.1.1.1] ferrocenophanes","Chemical Communications","2026","","","","","10.1039/D6CC02816K","","","1.54184","CuKα","","0.0556","0.0514","","","0.134","0.1368","","","","","","1.071","","","","has coordinates,has disorder","306601","2026-06-19","22:07:26",""
"7135949","13.2922","0.0011","14.1895","0.0012","15.1482","0.0013","63.134","0.002","66.276","0.002","83.294","0.002","2325.9","0.3","110","","110","","","","","","","","","5","P -1","-P 1","2","","","","- C50 H43 Cl4 Fe3 Sb3 -","- C50 H43 Cl4 Fe3 Sb3 -","- C100 H86 Cl8 Fe6 Sb6 -","2","1","","Thakur, Arunabha; Bedajna, Shantabh; Karimi, Mohammadjavad; Gabbaï, François P.","Macrocyclic stibine-bridged [1.1.1] and [1.1.1.1] ferrocenophanes","Chemical Communications","2026","","","","","10.1039/D6CC02816K","","","0.71073","MoKα","","0.0768","0.0531","","","0.133","0.1491","","","","","","1.022","","","","has coordinates","306601","2026-06-19","22:07:26",""
"7135950","10.6441","0.0005","14.2641","0.0006","20.2579","0.0009","80.665","0.001","86.606","0.001","69.274","0.001","2838.6","0.2","110","","110","","","","","","","","","7","P -1","-P 1","2","","Sb_triAu","","- C51.5 H42.5 Au Cl10.49 Fe3 I Sb3 -","- C51.5 H42.5 Au Cl10.497 Fe3 I Sb3 -","- C103 H85 Au2 Cl20.994 Fe6 I2 Sb6 -","2","1","","Thakur, Arunabha; Bedajna, Shantabh; Karimi, Mohammadjavad; Gabbaï, François P.","Macrocyclic stibine-bridged [1.1.1] and [1.1.1.1] ferrocenophanes","Chemical Communications","2026","","","","","10.1039/D6CC02816K","","","0.71073","MoKα","","0.0403","0.0306","","","0.0599","0.0626","","","","","","1.067","","","","has coordinates,has disorder","306601","2026-06-19","22:07:26",""
"7135951","9.105","0.0004","13.8482","0.0006","11.073","0.0005","90","","98.709","0.002","90","","1380.07","0.11","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C38 H18 N2 -","- C36 H40 N2 -","- C72 H80 N4 -","2","0.5","","Sivanarayanan, Jibin Jibin; Muralidharan, Abhijith; T., Amalnadh; Hariharan, Mahesh","Interchromophoric Excitonic Coupling Controls Phosphorescence in Thermomorphs of Carbazole Dimer","Chemical Communications","2026","","","","","10.1039/D6CC02352E","","","0.71073","MoKα","","0.0418","0.0396","","","0.1088","0.1114","","","","","","1.058","","","","has coordinates","306618","2026-06-23","22:15:42",""
"7135952","13.1028","0.0012","5.459","0.0005","13.4341","0.0013","90","","107.372","0.005","90","","917.09","0.15","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H20 F N O4 -","- C21 H20 F N O4 -","- C42 H40 F2 N2 O8 -","2","1","","Jagtap, Sayali G.; Vaghela, Kalindra M.; Gonnade, Rajesh G.; Mhaske, Santosh B.","Diversity Oriented Asymmetric Synthesis of 3,4-Disubstituted Succinimides via NHC-Catalyzed Enolate Intermediate","Chemical Communications","2026","","","","","10.1039/D6CC02831D","","","1.54178","CuKα","","0.1144","0.0658","","","0.1722","0.2157","","","","","","1.111","","","","has coordinates","306619","2026-06-23","22:15:48",""
"7135953","11.4805","0.0003","15.5624","0.0005","6.9833","0.0002","90","","104.812","0.003","90","","1206.21","0.06","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H8 N4 O2 -","- C14 H8 N4 O2 -","- C56 H32 N16 O8 -","4","1","","Zhang, Rui; Yang, Meng-Jie; Lin, Bin; Wu, Zhi; Song, An-Min; Yang, Qing; Zhang, Li; Liang, Ru-Ping; Qiu, Jian-Ding","Electrostatically polarized hydrogen-bonded organic frameworks for high-efficiency gold recovery from acidic electronic waste leachates","Chemical Communications","2026","","","","","10.1039/D6CC02074G","","","1.54184","CuKα","","0.0917","0.0752","","","0.1559","0.1613","","","","","","1.1","","","","has coordinates","306620","2026-06-23","22:15:56",""
"7135954","6.969","0.0012","9.0185","0.0018","9.4854","0.001","97.832","0.013","90.269","0.011","96.647","0.016","586.5","0.17","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C2.73 H1.64 N0.55 O0.36 -","- C2.72727 H1.63636 N0.545455 O0.363636 -","- C30 H18 N6 O4 -","11","5.5","","Zhang, Rui; Yang, Meng-Jie; Lin, Bin; Wu, Zhi; Song, An-Min; Yang, Qing; Zhang, Li; Liang, Ru-Ping; Qiu, Jian-Ding","Electrostatically polarized hydrogen-bonded organic frameworks for high-efficiency gold recovery from acidic electronic waste leachates","Chemical Communications","2026","","","","","10.1039/D6CC02074G","","","0.71073","MoKα","","0.1315","0.0771","","","0.221","0.2722","","","","","","0.969","","","","has coordinates","306620","2026-06-23","22:15:56",""
"7135955","19.449","0.006","19.449","0.006","55.49","0.02","90","","90","","90","","20990","12","150","","150","","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C40 H36.66 F4 N6 O1.33 Ru0.67 -","- C30.6667 H17.3333 F4 N4 Ru0.666667 -","- C736 H416 F96 N96 Ru16 -","24","1.5","","Mall, Utkarsh; Ortiz, Robert J.; Lozada, Issiah B.M.; Williams, Gareth; Herbert, David E.","Highly Covalent, Pseudo-Octahedral Ru(II) Bis(amides): Panchromatic Absorption and Low-Energy Photocatalysis","Chemical Communications","2026","","","","","10.1039/D6CC02913B","","","0.71073","MoKα","","0.1303","0.1054","","","0.2444","0.2625","","","","","","1.065","","","","has coordinates","306621","2026-06-23","22:16:11",""
"7135956","44.26","0.03","13.012","0.004","33.153","0.011","90","","118.05","0.03","90","","16850","15","150","","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C100.8 H91.2 B F30 N6 Ru -","- C78 H38 B F30 N6 Ru -","- C624 H304 B8 F240 N48 Ru8 -","8","1","","Mall, Utkarsh; Ortiz, Robert J.; Lozada, Issiah B.M.; Williams, Gareth; Herbert, David E.","Highly Covalent, Pseudo-Octahedral Ru(II) Bis(amides): Panchromatic Absorption and Low-Energy Photocatalysis","Chemical Communications","2026","","","","","10.1039/D6CC02913B","","","0.71073","MoKα","","0.1463","0.1331","","","0.2965","0.3046","","","","","","1.148","","","","has coordinates","306621","2026-06-23","22:16:11",""
"7135957","7.6051","0.0001","19.7577","0.0004","11.257","0.0002","90","","90","","90","","1691.47","0.05","297","","297","","","","","","","","","2","P n a 21","P 2c -2n","33","","","","- C24 H18 -","- C24 H18 -","- C96 H72 -","4","1","","Yang, Sha; Zheng, Zhiguo; Ning, Fei; Zhang, Shupeng; Ye, Xiaolan; Jin, Zhichao; Wu, Jian; Guo, Shengxin","N-Heterocyclic carbene catalysis enables the assembly of 1,3,5-tri(hetero)arylbenzenes from nitroolefins.","Chemical communications (Cambridge, England)","2026","","","","","10.1039/d6cc02959k","","","1.54178","CuKα","","0.0342","0.0338","","","0.0832","0.0834","","","","","","1.069","","","","has coordinates","306622","2026-06-23","22:16:33",""
"7135958","14.6446","0.0002","19.0612","0.0003","21.8909","0.0003","90","","90","","90","","6110.71","0.15","298","","298","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H15 Br3 -","- C24 H15 Br3 -","- C288 H180 Br36 -","12","3","","Yang, Sha; Zheng, Zhiguo; Ning, Fei; Zhang, Shupeng; Ye, Xiaolan; Jin, Zhichao; Wu, Jian; Guo, Shengxin","N-Heterocyclic carbene catalysis enables the assembly of 1,3,5-tri(hetero)arylbenzenes from nitroolefins.","Chemical communications (Cambridge, England)","2026","","","","","10.1039/d6cc02959k","","","1.54178","CuKα","","0.0396","0.0337","","","0.0798","0.0844","","","","","","1.074","","","","has coordinates","306622","2026-06-23","22:16:33",""
"7135959","15.8634","0.0005","17.3818","0.0007","20.3336","0.0007","90","","90","","90","","5606.7","0.3","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C49 H77 K N4 O6 Si4 Sn -","- C49 H77 K N4 O6 Si4 Sn -","- C196 H308 K4 N16 O24 Si16 Sn4 -","4","1","","Ekanayaka, Uthpala N.; Tisdale, George; Fronczek, Frank R.; Wagner, Clifton","Synthesis of a Crystalline Distannylene-stabilized Quinoxaline Radical Anion","Chemical Communications","2026","","","","","10.1039/D6CC02396G","","","1.54184","CuKα","","0.0857","0.0533","","","0.1142","0.1334","","","","","","0.984","","","","has coordinates","306623","2026-06-23","22:16:48",""
"7135960","9.2515","0.0002","49.5557","0.0013","15.9256","0.0004","90","","101.638","0.001","90","","7151.2","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C61 H96 K N7 O6 Si6 Sn2 -","- C61 H96 K N7 O6 Si6 Sn2 -","- C244 H384 K4 N28 O24 Si24 Sn8 -","4","1","","Ekanayaka, Uthpala N.; Tisdale, George; Fronczek, Frank R.; Wagner, Clifton","Synthesis of a Crystalline Distannylene-stabilized Quinoxaline Radical Anion","Chemical Communications","2026","","","","","10.1039/D6CC02396G","","","1.54184","CuKα","","0.0492","0.0341","","","0.078","0.0795","","","","","","1.109","","","","has coordinates","306623","2026-06-23","22:16:48",""
"7135961","14.4601","0.0004","28.3245","0.0007","21.5499","0.0006","90","","98.686","0.001","90","","8725.1","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C68 H128 K N8 O8 Si8 Sn2 -","- C68 H128 K N8 O8 Si8 Sn2 -","- C272 H512 K4 N32 O32 Si32 Sn8 -","4","1","","Ekanayaka, Uthpala N.; Tisdale, George; Fronczek, Frank R.; Wagner, Clifton","Synthesis of a Crystalline Distannylene-stabilized Quinoxaline Radical Anion","Chemical Communications","2026","","","","","10.1039/D6CC02396G","","","1.54178","CuKα","","0.0322","0.0263","","","0.0644","0.067","","","","","","1.029","","","","has coordinates,has disorder","306623","2026-06-23","22:16:48",""
"7135962","32.982","0.002","4.0502","0.0002","22.9391","0.0014","90","","116.081","0.003","90","","2752.3","0.3","273.15","","273.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H12 F N3 -","- C18 H12 F N3 -","- C144 H96 F8 N24 -","8","1","","Zhu, Lixiang; Zhang, Yixin; Tan, Jian-Ping; Li, Jinling; Jia, Zhenhua; Loh, Teck Peng","Metal-free synthesis of highly substituted 2-aminopyridines by formal [3+3] annulation of α,α-dicyanoalkenes with imines","Chemical Communications","2026","","","","","10.1039/D6CC02955H","","","0.71073","MoKα","","0.0604","0.0445","","","0.1087","0.1216","","","","","","1.035","","","","has coordinates","306624","2026-06-23","22:16:57",""
"7135963","11.4432","0.0006","13.8193","0.0007","19.8867","0.001","90","","90","","90","","3144.8","0.3","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H45 Cl N3 P -","- C30.9996 H44.9991 Cl0.9999 N3 P0.9999 -","- C123.998 H179.996 Cl3.9996 N12 P3.9996 -","4","1","","Torres, Lucas C.; Lenart, Casey A.; Bhattacharjee, Avik; Seidl, Michael; Löwe, Pawel; Dielmann, Fabian; Caputo, Christopher Blain","Synthesis, Characterization, and Reactivity of an Acyclic Alkyl-Imino-Phosphenium Cation","Chemical Communications","2026","","","","","10.1039/D6CC03015G","","","0.71073","MoKα","","0.0623","0.0455","","","0.091","0.0977","","","","","","1.03","","","","has coordinates,has disorder","306634","2026-06-24","22:45:15",""
"7135964","10.004","0.0015","17.769","0.003","20.306","0.003","90","","98.631","0.007","90","","3568.7","1","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H45 Al Cl4 N3 P -","- C31 H45 Al Cl4 N3 P -","- C124 H180 Al4 Cl16 N12 P4 -","4","1","","Torres, Lucas C.; Lenart, Casey A.; Bhattacharjee, Avik; Seidl, Michael; Löwe, Pawel; Dielmann, Fabian; Caputo, Christopher Blain","Synthesis, Characterization, and Reactivity of an Acyclic Alkyl-Imino-Phosphenium Cation","Chemical Communications","2026","","","","","10.1039/D6CC03015G","","","0.71073","MoKα","","0.1364","0.1252","","","0.2802","0.2855","","","","","","1.21","","","","has coordinates","306634","2026-06-24","22:45:15",""
"7135965","7.02132","0.0002","14.8471","0.0003","16.9881","0.0003","90","","90","","90","","1770.95","0.07","293","2","293","2","","","","","","","","4","C m c e","-C 2ac 2","64","","","","- C9 H7 F3 O2 -","- C9 H7 F3 O2 -","- C72 H56 F24 O16 -","8","0.5","","Chen, Chen; Hu, Xin-Yu; Li, Bing-Xiao; Zhao, Heng-Yi; Shi, Ai-Ting; Zhu, Bolin","Ligand-Controlled, Tunable Palladium-Catalyzed Carbonylation of Thianthrenium Salts and Formic Acids","Chemical Communications","2026","","","","","10.1039/D6CC02142E","","x-ray","1.54184","CuKα","","0.0755","0.0733","","","0.2138","0.2162","","","","","","1.164","","","","has coordinates,has disorder","306635","2026-06-24","22:45:26",""
"7135966","16.7776","0.0007","25.0472","0.0012","15.4369","0.0005","90","","95.112","0.004","90","","6461.3","0.5","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C64 H60 B4 Mo2 N18 -","- C64 H60 B4 Mo2 N18 -","- C256 H240 B16 Mo8 N72 -","4","1","","Dokken, Hannah; Rajeshkumar, Thayalan; Almquist, C. Christopher; Zhou, Wen; Maichle-Moessmer, Caecilia; Harrison, Alexander; Anwander, Reiner; Maron, Laurent; Piers, Warren","Coordination-induced bond weakening of multiple C-H bonds in a molybdenum methyl complex leading to a bridging ethylenediyl by C-C bond formation through bimolecular coupling of a terminal methylidyne","Chemical Communications","2026","","","","","10.1039/D6CC02936A","","x-ray","1.54184","CuKα","","0.1647","0.1125","","","0.2944","0.3272","","","","","","1.031","","","","has coordinates","306636","2026-06-24","22:45:42",""
"7135967","11.9782","0.0005","20.3399","0.0007","16.8895","0.0008","90","","110.234","0.003","90","","3860.9","0.3","173.15","","173.15","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C40 H46 B2 Mo N9 O2 -","- C40 H46 B2 Mo N9 O2 -","- C160 H184 B8 Mo4 N36 O8 -","4","1","","Dokken, Hannah; Rajeshkumar, Thayalan; Almquist, C. Christopher; Zhou, Wen; Maichle-Moessmer, Caecilia; Harrison, Alexander; Anwander, Reiner; Maron, Laurent; Piers, Warren","Coordination-induced bond weakening of multiple C-H bonds in a molybdenum methyl complex leading to a bridging ethylenediyl by C-C bond formation through bimolecular coupling of a terminal methylidyne","Chemical Communications","2026","","","","","10.1039/D6CC02936A","","","1.54178","CuKα","","0.2073","0.1314","","","0.3203","0.3655","","","","","","1.078","","","","has coordinates,has disorder","306636","2026-06-24","22:45:42",""
"7135968","20.5125","0.0006","17.2977","0.0005","8.6069","0.0002","90","","98.619","0.002","90","","3019.4","0.14","173.15","","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H32 B2 Mo N9 -","- C32 H32 B2 Mo N9 -","- C128 H128 B8 Mo4 N36 -","4","1","","Dokken, Hannah; Rajeshkumar, Thayalan; Almquist, C. Christopher; Zhou, Wen; Maichle-Moessmer, Caecilia; Harrison, Alexander; Anwander, Reiner; Maron, Laurent; Piers, Warren","Coordination-induced bond weakening of multiple C-H bonds in a molybdenum methyl complex leading to a bridging ethylenediyl by C-C bond formation through bimolecular coupling of a terminal methylidyne","Chemical Communications","2026","","","","","10.1039/D6CC02936A","","","1.54178","CuKα","","0.065","0.0605","","","0.1683","0.1737","","","","","","1.078","","","","has coordinates","306636","2026-06-24","22:45:42",""
"7135969","11.7383","0.0005","13.0096","0.0006","14.4825","0.0007","105.255","0.001","112.676","0.001","97.513","0.001","1900.62","0.15","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C76 H86 B4 Mo2 N22 O4 -","- C76 H86 B4 Mo2 N22 O4 -","- C76 H86 B4 Mo2 N22 O4 -","1","0.5","","Dokken, Hannah; Rajeshkumar, Thayalan; Almquist, C. Christopher; Zhou, Wen; Maichle-Moessmer, Caecilia; Harrison, Alexander; Anwander, Reiner; Maron, Laurent; Piers, Warren","Coordination-induced bond weakening of multiple C-H bonds in a molybdenum methyl complex leading to a bridging ethylenediyl by C-C bond formation through bimolecular coupling of a terminal methylidyne","Chemical Communications","2026","","","","","10.1039/D6CC02936A","","","0.71073","MoKα","","0.0615","0.041","","","0.0878","0.097","","","","","","1.022","","","","has coordinates,has disorder","306636","2026-06-24","22:45:42",""
"7135970","12.0032","0.0002","19.1284","0.0003","21.214","0.0004","79.061","0.001","88.177","0.001","87.993","0.002","4777.77","0.14","173","2","173","","","","","","","","","6","P -1","-P 1","2","","","","- C96 H124 B4 Mo2 N18 O8 -","- C96 H124 B4 Mo2 N18 O8 -","- C192 H248 B8 Mo4 N36 O16 -","2","1","","Dokken, Hannah; Rajeshkumar, Thayalan; Almquist, C. Christopher; Zhou, Wen; Maichle-Moessmer, Caecilia; Harrison, Alexander; Anwander, Reiner; Maron, Laurent; Piers, Warren","Coordination-induced bond weakening of multiple C-H bonds in a molybdenum methyl complex leading to a bridging ethylenediyl by C-C bond formation through bimolecular coupling of a terminal methylidyne","Chemical Communications","2026","","","","","10.1039/D6CC02936A","","","1.54178","CuKα","","0.1035","0.063","","","0.1517","0.1755","","","","","","1.01","","","","has coordinates,has disorder","306636","2026-06-24","22:45:42",""
"7135971","15.2696","0.0008","15.3153","0.0005","16.7734","0.0011","90","","116.967","0.008","90","","3496.1","0.4","150.01","0.1","150.01","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C9 H4 Cu N4 O4 -","- C9 H4 Cu N4 O4 -","- C72 H32 Cu8 N32 O32 -","8","1","","Chen, Jingjing; Li, Fugang; Zhao, Zihao; Wang, Xiaokang; Wang, Rongming; Sun, Daofeng","Tetrazole-functionalized Cu-MOF for efficient C2H2/CO2 separation","Chemical Communications","2026","","","","","10.1039/D6CC03522A","","x-ray","0.71","MoKα","","0.069","0.0653","","","0.1987","0.2023","","","","","","1.085","","","","has coordinates","306650","2026-06-25","22:21:28",""
"7135972","14.1555","0.0002","20.9681","0.0003","21.6564","0.0003","90","","90","","90","","6427.92","0.16","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C3.33 H4.56 Eu0.06 F0.67 N0.17 O0.44 -","- C3.33333 H4.55556 Eu0.0555556 F0.666667 N0.166667 O0.444444 -","- C240 H328 Eu4 F48 N12 O32 -","72","18","","Itaya, Kosuke; Koizumi, Kaoru; Inage, Kota; Wang, Mengfei; Ishii, Kazuyuki; Hasegawa, Yasuchika; Kimura, Shojiro; Kitagawa, Yuichi","Molecular design strategy for solution-phase magneto-chiral photochemistry","Chemical Communications","2026","","","","","10.1039/D6CC03254K","","x-ray","0.71073","MoKα","","0.0338","0.0278","","","0.0654","0.0709","","","","","","1.073","","","","has coordinates","306661","2026-06-26","22:30:39",""
"7135973","14.2406","0.0002","20.7703","0.0003","20.9692","0.0003","90","","90","","90","","6202.3","0.15","123","","123","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C58 H79 Eu F12 N2 O8 -","- C58 H79 Eu F12 N2 O8 -","- C232 H316 Eu4 F48 N8 O32 -","4","1","","Itaya, Kosuke; Koizumi, Kaoru; Inage, Kota; Wang, Mengfei; Ishii, Kazuyuki; Hasegawa, Yasuchika; Kimura, Shojiro; Kitagawa, Yuichi","Molecular design strategy for solution-phase magneto-chiral photochemistry","Chemical Communications","2026","","","","","10.1039/D6CC03254K","","x-ray","0.71073","MoKα","","0.0314","0.0249","","","0.0576","0.071","","","","","","1.08","","","","has coordinates","306661","2026-06-26","22:30:39",""
"7135974","7.87968","0.00009","5.68221","0.00007","14.07726","0.00019","90","","91.101","0.0011","90","","630.179","0.014","100","0.2","100","0.2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H16 O3 -","- C15 H16 O3 -","- C30 H32 O6 -","2","1","","van der Pol, Elske; Krammer, Lisa-Marie; Eder, Johannes; Gross, Dominik; Fischer, Roland C.; Miyamoto, Kenji; Kourist, Robert; Breinbauer, Rolf","Hydrophobic pocket engineering of arylmalonate decarboxylase expands its substrate scope towards the synthesis of the (R)-enantiomers of sterically hindered carboxylic acids","Chemical Communications","2026","","","","","10.1039/D6CC02837C","","x-ray","1.54184","CuKα","","0.0324","0.0319","","","0.0835","0.0839","","","","","","1.066","","","","has coordinates","306662","2026-06-26","22:30:47",""
"7135975","5.913","0.002","11.952","0.004","19.728","0.006","90","","94.761","0.01","90","","1389.4","0.8","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H22 N2 O -","- C16 H22 N2 O -","- C64 H88 N8 O4 -","4","1","","Garg, Anjali; Kumar, Raman; Kaur, Manpreet; Sharma, Anuj","Decarboxylative Alkylation of Unactivated Olefins via Photoinduced Fe-LMCT: Access to Alkylated Dihydropyrazoles/Tetrahydropyridazines","Chemical Communications","2026","","","","","10.1039/D6CC02693A","","","0.71073","MoKα","","0.0685","0.0549","","","0.1237","0.1306","","","","","","1.092","","","","has coordinates","306663","2026-06-26","22:30:53",""
"7160912","20.836","0.004","7.1335","0.0013","21.837","0.005","90","","146.592","0.005","90","","1787.1","0.7","300","2","300","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H17 N O4 -","- C24 H17 N O4 -","- C96 H68 N4 O16 -","4","1","","Ahmad, Farukh; Singh, Rajeev; Ahmed, Naseem","Solvent-assisted one-pot green and diastereoselective synthesis of 1,4-oxazines and 1,4-thioxazines under metal-free conditions","Organic & Biomolecular Chemistry","2026","","","","","10.1039/D5OB01466B","","","0.71073","MoKα","","0.0824","0.0618","","","0.1685","0.1864","","","","","","1.095","","","","has coordinates","304026","2025-12-04","01:59:38",""
"7160925","7.3559","0.0003","9.8324","0.0004","24.4571","0.0011","90","","90","","90","","1768.89","0.13","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","'3-(3-((1R,2R)-2-(dimethylamino)cyclohexyl)thioureido)-1-methylpyridin-1-ium iodide'","","- C15 H25 I N4 S -","- C15 H25 I N4 S -","- C60 H100 I4 N16 S4 -","4","1","","Nisly, Josiah K.; Kass, Steven R.","An electrostatically enhanced bifunctional enantioselective thiourea catalyst.","Organic & biomolecular chemistry","2026","24","6","1369","1378","10.1039/d5ob01845e","","","0.71073","MoKα","","0.0157","0.0151","","","0.0342","0.0344","","","","","","1.047","","","","has coordinates","304361","2026-02-13","01:47:15",""
"7160926","9.8003","0.0005","11.4521","0.0006","12.3115","0.0006","109.781","0.002","105.927","0.002","93.616","0.002","1231.62","0.11","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H29 Cl N2 O8 -","- C24 H29 Cl N2 O8 -","- C48 H58 Cl2 N4 O16 -","2","1","","Zeng, Zhiwei; Lin, Jingwei; Xie, Yongchao; Guo, Jiangbin; Ma, Nan; Lei, Jian; Lin, Jinguo; Xie, Xiaolan","TMEDA-catalyzed synthesis of pentasubstituted 2-aminopyrroles from ynehydrazides and dialkyl acetylenedicarboxylates.","Organic & biomolecular chemistry","2026","24","5","1011","1015","10.1039/d5ob01825k","","","0.71073","MoKα","","0.051","0.041","","","0.1155","0.1231","","","","","","1.061","","","","has coordinates","304362","2026-02-13","01:47:27",""
"7160927","7.6596","0.0004","10.8313","0.0005","16.1412","0.0007","90","","90","","90","","1339.13","0.11","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H10 Cl N S -","- C16 H10 Cl N S -","- C64 H40 Cl4 N4 S4 -","4","1","","Sable, Sakshi Haridas; Ambadipudi, S. S. S. S. Sudha; Andugulapati, Sai Balaji; Balasubramani, Alagesan","TfOH-triggered denitrogenative union of diazo carbonyl compounds and indolin-2-thiones toward functionalized indole derivatives and their preliminary anticancer assessment.","Organic & biomolecular chemistry","2026","24","8","1697","1702","10.1039/d5ob01227a","","x-ray","0.71073","MoKα","","0.0501","0.0375","","","0.0898","0.0942","","","","","","0.9986","","","","has coordinates","304952","2026-03-05","13:07:59",""
"7160928","7.4487","0.0003","13.7929","0.0006","7.9813","0.0003","90","","94.279","0.002","90","","817.71","0.06","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H7 N O3 -","- C9 H7 N O3 -","- C36 H28 N4 O12 -","4","1","","Lee, Anjun; Suresh, Sundaram; Du, Bo-Xun; Han, Xinlun; Yao, Ching-Fa","Chemoselective synthesis of multi-functionalized alkynes and alkenes <i>via</i> transition-metal-free iodination of terminal alkynes.","Organic & biomolecular chemistry","2026","24","5","1016","1020","10.1039/d5ob01753j","","","1.54178","CuKα","","0.0734","0.0674","","","0.1902","0.2004","","","","","","1.085","","","","has coordinates","304364","2026-02-13","01:48:19",""
"7160929","4.1996","0.0007","10.2622","0.0018","22.095","0.004","90","","90.362","0.006","90","","952.2","0.3","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6 Cl I O -","- C9 H6 Cl I O -","- C36 H24 Cl4 I4 O4 -","4","1","","Lee, Anjun; Suresh, Sundaram; Du, Bo-Xun; Han, Xinlun; Yao, Ching-Fa","Chemoselective synthesis of multi-functionalized alkynes and alkenes <i>via</i> transition-metal-free iodination of terminal alkynes.","Organic & biomolecular chemistry","2026","24","5","1016","1020","10.1039/d5ob01753j","","","0.71073","MoKα","","0.0334","0.0317","","","0.08","0.0808","","","","","","1.2","","","","has coordinates","304364","2026-02-13","01:48:19",""
"7160930","14.0037","0.0005","5.3169","0.0002","31.9856","0.0014","90","","90","","90","","2381.53","0.16","200","2","200","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H10 I2 O2 -","- C10 H10 I2 O2 -","- C80 H80 I16 O16 -","8","1","","Lee, Anjun; Suresh, Sundaram; Du, Bo-Xun; Han, Xinlun; Yao, Ching-Fa","Chemoselective synthesis of multi-functionalized alkynes and alkenes <i>via</i> transition-metal-free iodination of terminal alkynes.","Organic & biomolecular chemistry","2026","24","5","1016","1020","10.1039/d5ob01753j","","","0.71073","MoKα","","0.0359","0.0335","","","0.0768","0.0782","","","","","","1.182","","","","has coordinates","304364","2026-02-13","01:48:19",""
"7160931","9.631","0.0009","5.3074","0.0004","13.5696","0.0011","90","","94.695","0.003","90","","691.29","0.1","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H9 I3 O2 -","- C10 H9 I3 O2 -","- C20 H18 I6 O4 -","2","1","","Lee, Anjun; Suresh, Sundaram; Du, Bo-Xun; Han, Xinlun; Yao, Ching-Fa","Chemoselective synthesis of multi-functionalized alkynes and alkenes <i>via</i> transition-metal-free iodination of terminal alkynes.","Organic & biomolecular chemistry","2026","24","5","1016","1020","10.1039/d5ob01753j","","","0.71073","MoKα","","0.0193","0.0187","","","0.0519","0.0526","","","","","","0.914","","","","has coordinates","304364","2026-02-13","01:48:19",""
"7160932","7.1857","0.001","7.6402","0.0011","27.948","0.004","90","","90","","90","","1534.4","0.4","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 N O3 -","- C18 H19 N O3 -","- C72 H76 N4 O12 -","4","1","","Toda, Yasunori; Soma, Yukinao; Horiba, Nobuteru; Koyama, Masato; Iwakuma, Fumiya; Matsumoto, Suguru; Sukegawa, Kimiya; Kikuchi, Ayaka; Suga, Hiroyuki","Chiral amine-urea mediated asymmetric inverse-electron-demand cycloadditions of cyclic nitrones with <i>o</i>-hydroxystyrenes.","Organic & biomolecular chemistry","2026","24","5","1006","1010","10.1039/d5ob01989c","","","0.71073","MoKα","","0.1233","0.0539","","","0.0934","0.1166","","","","","","0.997","","","","has coordinates","304365","2026-02-13","01:48:35",""
"7160933","7.6947","0.0005","17.4535","0.0012","14.907","0.001","90","","90","","90","","2002","0.2","120","","120","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C24 H19 N O7 -","- C24 H19 N O7 -","- C96 H76 N4 O28 -","4","1","","Sergeeva, Ekaterina S.; Faizdrakhmanova, Anna A.; Vologzhanina, Anna V.; Ushakov, Igor A.; Anisimov, Aleksei A.; Dorovatovskii, Pavel V.; Tikhonov, Nikolay I.; Lvov, Andrey G.","Photochemical reactivity of diarylethenes: effects of carboxyl group derivatives.","Organic & biomolecular chemistry","2026","24","8","1683","1689","10.1039/d5ob01693b","","","0.71073","MoKα","","0.0822","0.046","","","0.087","0.0972","","","","","","0.997","","","","has coordinates","304946","2026-03-05","13:06:31",""
"7160934","23.642","0.008","12.087","0.004","11.817","0.004","90","","112.96","0.009","90","","3109.3","1.8","120","","120","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C19 H16 O5 -","- C19 H16 O5 -","- C152 H128 O40 -","8","1","","Sergeeva, Ekaterina S.; Faizdrakhmanova, Anna A.; Vologzhanina, Anna V.; Ushakov, Igor A.; Anisimov, Aleksei A.; Dorovatovskii, Pavel V.; Tikhonov, Nikolay I.; Lvov, Andrey G.","Photochemical reactivity of diarylethenes: effects of carboxyl group derivatives.","Organic & biomolecular chemistry","2026","24","8","1683","1689","10.1039/d5ob01693b","","","0.71073","MoKα","","0.2247","0.0882","","","0.1727","0.2201","","","","","","1.009","","","","has coordinates","304946","2026-03-05","13:06:32",""
"7160935","7.62","0.0015","7.86","0.0016","13.16","0.003","104.32","0.03","95.25","0.03","101.42","0.03","740.4","0.3","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C18 H14 O5 -","- C18 H14 O5 -","- C36 H28 O10 -","2","1","","Sergeeva, Ekaterina S.; Faizdrakhmanova, Anna A.; Vologzhanina, Anna V.; Ushakov, Igor A.; Anisimov, Aleksei A.; Dorovatovskii, Pavel V.; Tikhonov, Nikolay I.; Lvov, Andrey G.","Photochemical reactivity of diarylethenes: effects of carboxyl group derivatives.","Organic & biomolecular chemistry","2026","24","8","1683","1689","10.1039/d5ob01693b","","","0.7527","synchrotron","","0.05","0.042","","","0.1098","0.1168","","","","","","1.025","","","","has coordinates","304946","2026-03-05","13:06:32",""
"7160936","7.2227","0.0003","9.2625","0.0004","11.1958","0.0004","68.413","0.001","86.838","0.001","67.703","0.001","641.28","0.05","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H13 N O4 -","- C15 H13 N O4 -","- C30 H26 N2 O8 -","2","1","","Banyangala, Mohan; K S, Sandhya; Thushara, Ramakrishnan; C S, Athira; K, Liyo Vincent; Suresh, Cherumuttathu H.; Purushothaman, Jayamurthy; Somappa, Sasidhar B.","Regioselective House-Meinwald rearrangement in oxindoles: access to substituted quinolinones.","Organic & biomolecular chemistry","2026","24","10","2028","2033","10.1039/d6ob00128a","","","0.71073","MoKα","","0.0496","0.0422","","","0.1163","0.1289","","","","","","1.064","","","","has coordinates","305844","2026-05-05","09:30:42",""
"7160937","12.3346","0.001","13.8998","0.0012","25.5746","0.0019","103.68","0.003","97.729","0.003","93.013","0.003","4205.4","0.6","297","","297","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H22 N4 O3 -","- C24 H22 N4 O3 -","- C192 H176 N32 O24 -","8","4","","Xu, Jianming; Hu, Dan; Wang, Jian; Hu, Song; Yin, Heng; Li, Yulong; Li, Chenyi","A three-component 1,3-dipolar cycloaddition of pyrazolone-derived azomethine ylides with succinimides for the construction of novel spiro-pyrazolone-pyrrolizines containing succinimides.","Organic & biomolecular chemistry","2026","24","6","1363","1368","10.1039/d6ob00014b","","","0.71073","MoKα","","0.1031","0.0537","","","0.1221","0.1575","","","","","","1.022","","","","has coordinates","304368","2026-02-13","01:50:02",""
"7160938","11.2932","0.0015","14.2849","0.0018","14.4944","0.0016","90","","93.613","0.005","90","","2333.6","0.5","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H24 N2 O2 S -","- C26 H24 N2 O2 S -","- C104 H96 N8 O8 S4 -","4","1","","Cheng, Wen; Li, Mengfan; Tang, Hao; Wang, Yuxi; Yu, Qiurou; Bao, Xiaoli; Zhao, Yunhui; Yi, Weiyin","Synthesis of diverse substituted pyrimidines through Cu catalyst-controlled Ts group elimination and reinsertion pathway from 2<i>H</i>-azirines with TosMICs.","Organic & biomolecular chemistry","2026","24","10","2046","2060","10.1039/d5ob01962a","","","0.71073","MoKα","","0.0551","0.0452","","","0.1131","0.1218","","","","","","1.005","","","","has coordinates","305845","2026-05-05","09:30:55",""
"7160939","11.7603","0.0004","6.9704","0.0002","14.8503","0.0006","90","","91.506","0.003","90","","1216.92","0.07","293","","293","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H12 N2 -","- C16 H12 N2 -","- C64 H48 N8 -","4","1","","Cheng, Wen; Li, Mengfan; Tang, Hao; Wang, Yuxi; Yu, Qiurou; Bao, Xiaoli; Zhao, Yunhui; Yi, Weiyin","Synthesis of diverse substituted pyrimidines through Cu catalyst-controlled Ts group elimination and reinsertion pathway from 2<i>H</i>-azirines with TosMICs.","Organic & biomolecular chemistry","2026","24","10","2046","2060","10.1039/d5ob01962a","","x-ray","1.54184","CuKα","","0.0468","0.0435","","","0.1239","0.1283","","","","","","1.047","","","","has coordinates","305845","2026-05-05","09:30:55",""
"7160940","6.9407","0.0001","10.107","0.0001","10.6113","0.0001","79.691","0.001","77.53","0.001","71.155","0.001","683.037","0.014","293","","293","","","","","","","","","5","P -1","-P 1","2","","VK-428","","- C17 H10 Br N O2 -","- C17 H10 Br N O2 -","- C34 H20 Br2 N2 O4 -","2","1","","Kumar, Vikash; Dey, Ashutosh; Maurya, Rohit Kumar; Yadav, Abhay Kumar; Kumari, Megha; Singh, Angad Kumar; Khatravath, Mahender","Cu-catalyzed oxidative imino Diels-Alder cyclization: synthesis of dihydrofuroquinolines.","Organic & biomolecular chemistry","2026","24","8","1659","1665","10.1039/d5ob01758k","","x-ray","1.54184","CuKα","","0.0307","0.0294","","","0.0767","0.0779","","","","","","1.047","","","","has coordinates","304956","2026-03-05","13:09:03",""
"7160941","9.8224","0.0003","10.4896","0.0003","12.9397","0.0004","107.516","0.001","95.106","0.001","103.45","0.001","1218.22","0.06","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H27 Cl N2 O2 -","- C30 H27 Cl N2 O2 -","- C60 H54 Cl2 N4 O4 -","2","1","","Plakas, Alexandra Mary; Butsi, Kamogelo Rosinah; Lala, Sahil; van Zyl, Robyn Lynne; Fernandes, Manuel Antonio; Ntsimango, Songeziwe; Bode, Moira Leanne; Rousseau, Amanda Louise","Unusual C-2 selectivity of Grignard additions to <i>N</i>-Boc-protected isatin 3-imines.","Organic & biomolecular chemistry","2026","24","8","1672","1677","10.1039/d5ob01909e","","","0.71073","MoKα","","0.0463","0.0386","","","0.0961","0.1015","","","","","","1.04","","","","has coordinates","304949","2026-03-05","13:07:13",""
"7160942","14.1456","0.0018","17.8889","0.0019","10.4103","0.0013","90","","103.055","0.004","90","","2566.2","0.5","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H29 Br N2 O4 -","- C28 H29 Br N2 O4 -","- C112 H116 Br4 N8 O16 -","4","1","","Plakas, Alexandra Mary; Butsi, Kamogelo Rosinah; Lala, Sahil; van Zyl, Robyn Lynne; Fernandes, Manuel Antonio; Ntsimango, Songeziwe; Bode, Moira Leanne; Rousseau, Amanda Louise","Unusual C-2 selectivity of Grignard additions to <i>N</i>-Boc-protected isatin 3-imines.","Organic & biomolecular chemistry","2026","24","8","1672","1677","10.1039/d5ob01909e","","","0.71073","MoKα","","0.0702","0.041","","","0.0783","0.09","","","","","","1.034","","","","has coordinates","304949","2026-03-05","13:07:13",""
"7160943","9.5939","0.0006","18.5686","0.0011","17.3143","0.001","90","","90","","90","","3084.5","0.3","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C15.75 H11 Cl N4 Se -","- C17 H11 Cl N4 Se -","- C136 H88 Cl8 N32 Se8 -","8","1","","Liu, Dan-Dan; Zou, Chu; Hu, Shu-Ting; Xu, Wen-Jing; Xu, Wan; Keram, Merziya; Xu, Xin; Xu, Zhou; Yuan, Yu-Chao","Ruthenium-catalyzed direct C2-H selenylation of (benz)imidazoles.","Organic & biomolecular chemistry","2026","24","6","1247","1251","10.1039/d5ob01926e","","","0.71073","MoKα","","0.0306","0.0254","","","0.0623","0.0661","","","","","","1.063","","","","has coordinates","304372","2026-02-13","01:51:14",""
"7160944","11.061","0.0007","12.0662","0.0008","15.1287","0.0009","74.955","0.005","69.286","0.006","63.657","0.006","1679.8","0.2","298","","298","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H34 F8 N2 O2 S2 -","- C30 H34 F8 N2 O2 S2 -","- C60 H68 F16 N4 O4 S4 -","2","1","","Chen, Shouxiong; Yang, Peiqi; Hong, Biqiong; Yang, Fafu; Weng, Zhiqiang","Synthesis of α-trifluoromethyl-β-lactams <i>via</i> a copper-catalyzed Kinugasa reaction of nitrones with 3,3,3-trifluoropropyne and their defluorination.","Organic & biomolecular chemistry","2026","24","9","1908","1914","10.1039/d5ob01913c","","x-ray","0.71073","MoKα","","0.1022","0.0804","","","0.2508","0.2726","","","","","","1.054","","","","has coordinates","304957","2026-03-05","13:10:05",""
"7160945","11.2997","0.001","11.4114","0.0009","19.4488","0.0014","90","","106.81","0.008","90","","2400.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 F N5 O -","- C28 H24 F N5 O -","- C112 H96 F4 N20 O4 -","4","1","","Chen, Shouxiong; Yang, Peiqi; Hong, Biqiong; Yang, Fafu; Weng, Zhiqiang","Synthesis of α-trifluoromethyl-β-lactams <i>via</i> a copper-catalyzed Kinugasa reaction of nitrones with 3,3,3-trifluoropropyne and their defluorination.","Organic & biomolecular chemistry","2026","24","9","1908","1914","10.1039/d5ob01913c","","x-ray","0.71073","MoKα","","0.1198","0.1017","","","0.3018","0.3163","","","","","","1.069","","","","has coordinates","304957","2026-03-05","13:10:06",""
"7160946","7.8464","0.0007","21.4478","0.0017","11.1795","0.001","90","","105.5","0.009","90","","1813","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H23 N O3 -","- C20 H23 N O3 -","- C80 H92 N4 O12 -","4","1","","Chen, Shouxiong; Yang, Peiqi; Hong, Biqiong; Yang, Fafu; Weng, Zhiqiang","Synthesis of α-trifluoromethyl-β-lactams <i>via</i> a copper-catalyzed Kinugasa reaction of nitrones with 3,3,3-trifluoropropyne and their defluorination.","Organic & biomolecular chemistry","2026","24","9","1908","1914","10.1039/d5ob01913c","","x-ray","0.71073","MoKα","","0.1509","0.095","","","0.316","0.3549","","","","","","1.213","","","","has coordinates","304957","2026-03-05","13:10:06",""
"7160947","10.9931","0.0006","11.7901","0.0008","15.1378","0.0007","75.592","0.005","69.758","0.005","64.633","0.006","1651.59","0.19","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H18 F3 N O S -","- C15 H18 F3 N O S -","- C60 H72 F12 N4 O4 S4 -","4","2","","Chen, Shouxiong; Yang, Peiqi; Hong, Biqiong; Yang, Fafu; Weng, Zhiqiang","Synthesis of α-trifluoromethyl-β-lactams <i>via</i> a copper-catalyzed Kinugasa reaction of nitrones with 3,3,3-trifluoropropyne and their defluorination.","Organic & biomolecular chemistry","2026","24","9","1908","1914","10.1039/d5ob01913c","","x-ray","0.71073","MoKα","","0.1396","0.0751","","","0.2284","0.283","","","","","","1.014","","","","has coordinates","304957","2026-03-05","13:10:06",""
"7160948","18.4664","0.0018","8.2112","0.001","23.118","0.003","90","","111.933","0.003","90","","3251.7","0.7","179","2","179","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 F3 N2 O S -","- C18 H13 F3 N2 O S -","- C144 H104 F24 N16 O8 S8 -","8","2","","Vara, Vijay; Thete, Kishor R.; Khan, Akram A.; Muthukrishnan, M.","Radical-promoted cyclization of 3-allyl-2-arylquinazolinones mediated by silver(I) salts to access SCF<sub>3</sub>/SCN-enriched dihydroisoquinolino[1,2-<i>b</i>]quinazolinones.","Organic & biomolecular chemistry","2026","24","6","1263","1267","10.1039/d5ob01755f","","","0.71073","MoKα","","0.0793","0.0576","","","0.1428","0.1611","","","","","","1.043","","","","has coordinates","304374","2026-02-13","01:52:11",""
"7160949","7.2002","0.0003","14.5736","0.0008","21.7237","0.001","90","","97.027","0.004","90","","2262.41","0.19","99.9","0.4","99.9","0.4","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H33 B N2 O4 -","- C23 H33 B N2 O4 -","- C92 H132 B4 N8 O16 -","4","1","","Gyasi, Yusif I.; Nyalata, Satyanarayana; Pa, Sophea; Gunasekera, Disni; Vulupala, Veerabhadra R.; Mallampudi, Nagarjun R.; Ramidi, Gopal R.; Xu, Shiqing","Regioselective multicomponent synthesis of α-boryl ureas: discovery of a potent main protease inhibitor.","Organic & biomolecular chemistry","2026","24","5","1033","1041","10.1039/d5ob01846c","","x-ray","1.54184","CuKα","","0.0521","0.0456","","","0.1144","0.1221","","","","","","1.065","","","","has coordinates","304375","2026-02-13","01:52:38",""
"7160950","11.3295","0.0002","22.0996","0.0003","10.3207","0.0002","90","","114.717","0.002","90","","2347.33","0.08","99.9","0.7","99.9","0.7","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H34 B Br F N2 O3 -","- C21 H34 B Br F N2 O3 -","- C84 H136 B4 Br4 F4 N8 O12 -","4","1","","Gyasi, Yusif I.; Nyalata, Satyanarayana; Pa, Sophea; Gunasekera, Disni; Vulupala, Veerabhadra R.; Mallampudi, Nagarjun R.; Ramidi, Gopal R.; Xu, Shiqing","Regioselective multicomponent synthesis of α-boryl ureas: discovery of a potent main protease inhibitor.","Organic & biomolecular chemistry","2026","24","5","1033","1041","10.1039/d5ob01846c","","x-ray","1.54184","CuKα","","0.0513","0.0467","","","0.1276","0.1307","","","","","","1.089","","","","has coordinates","304375","2026-02-13","01:52:38",""
"7160951","8.2466","0.0003","21.5948","0.0006","9.1672","0.0002","90","","104.167","0.003","90","","1582.88","0.08","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 N O2 -","- C19 H19 N O2 -","- C76 H76 N4 O8 -","4","1","","Feng, Yadong; Wang, Pu; Wang, Chaoyu; Wang, Tian; Cui, Xiuling","Synthesis of 2-furanyl quinolines <i>via</i> zinc-catalyzed cascade cyclization of enynones with anthranils.","Organic & biomolecular chemistry","2026","24","8","1666","1671","10.1039/d5ob01994j","","x-ray","1.54184","CuKα","","0.0903","0.0615","","","0.1752","0.2086","","","","","","1.043","","","","has coordinates,has disorder","304950","2026-03-05","13:07:27",""
"7160952","5.1939","0.0003","12.7888","0.0009","18.676","0.0013","90","","93.318","0.002","90","","1238.45","0.14","273","2","273.15","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C12 H11 N2 O4 S -","- C12 H10 N2 O4 S -","- C48 H40 N8 O16 S4 -","4","1","","Zhu, Lin; Wang, Yang; Guo, Han; Liu, Rui; Wang, Yu; Dang, Meng-Yun; Hu, Feng-Lan; Han, Wen-Jun; Zhan, Jun-Long; Lv, Yunhe","Cu-catalyzed N-S bond coupling between hydroxylamines and sulfinic acids: rapid access to <i>N</i>-arylsulfonamides.","Organic & biomolecular chemistry","2026","24","5","1021","1026","10.1039/d5ob01851j","","","0.71073","MoKα","","0.0384","0.0331","","","0.0777","0.0825","","","","","","1.108","","","","has coordinates","304377","2026-02-13","01:53:10",""
"7160953","10.5477","0.0004","13.6992","0.0006","13.9449","0.0006","102.714","0.002","96.341","0.001","90.428","0.001","1952.49","0.14","296","","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H18 O3 S -","- C25 H18 O3 S -","- C100 H72 O12 S4 -","4","2","","Husni P, Farooqe; Andrews P, Alex; Menon, Rajeev S.","Arylsulfone-driven divergence in base-mediated [3 + 3] benzannulation reactions of aurones: facile synthesis of substituted dibenzofurans.","Organic & biomolecular chemistry","2026","24","6","1352","1357","10.1039/d5ob01723h","","","0.71073","MoKα","","0.0451","0.0385","","","0.1086","0.1167","","","","","","1.032","","","","has coordinates","304378","2026-02-13","01:54:16",""
"7160954","22.6137","0.0009","7.8287","0.0003","18.7543","0.0008","90","","121.243","0.001","90","","2838.7","0.2","100.15","","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C20 H14 O3 -","- C20 H14 O3 -","- C160 H112 O24 -","8","1","","Husni P, Farooqe; Andrews P, Alex; Menon, Rajeev S.","Arylsulfone-driven divergence in base-mediated [3 + 3] benzannulation reactions of aurones: facile synthesis of substituted dibenzofurans.","Organic & biomolecular chemistry","2026","24","6","1352","1357","10.1039/d5ob01723h","","","0.71073","MoKα","","0.0382","0.0346","","","0.0938","0.0966","","","","","","1.042","","","","has coordinates","304378","2026-02-13","01:54:17",""
"7160955","6.7603","0.0001","13.7808","0.0003","13.7988","0.0004","104.964","0.002","95.599","0.002","90.149","0.002","1235.49","0.05","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C13 H10 Cl F2 N O2 -","- C13 H10 Cl F2 N O2 -","- C52 H40 Cl4 F8 N4 O8 -","4","2","","Chen, Li; Li, Yang; Hu, Yun-Long; Chen, Xin; Chen, Mei-Ru; Zhang, Jin; Shi, Lan-Ting; Li, Hong","Palladium-catalyzed esterification reaction of arenes/heterocyclic carboxylic acids with difluoroallyl bromide for the efficient preparation of difluoroallyl esters.","Organic & biomolecular chemistry","2026","24","5","1114","1119","10.1039/d5ob01961c","","x-ray","1.54184","CuKα","","0.0531","0.0514","","","0.1503","0.1514","","","","","","1.056","","","","has coordinates","304379","2026-02-13","01:54:31",""
"7160956","9.348","0.0008","10.0431","0.0008","15.9468","0.0013","80.587","0.003","76.524","0.003","87.501","0.003","1436.3","0.2","298","","298","","","","","","","","","6","P -1","-P 1","2","","","","- C29 H22 Br Cl3 N4 O -","- C29 H22 Br Cl3 N4 O -","- C58 H44 Br2 Cl6 N8 O2 -","2","1","","Qiu, Huanyi; Fang, Jingxi; Guan, Mingyan; Xie, Surong; Chen, Xi; Zhang, Qiuqi; Pan, Zhentao; Ma, Yongmin","B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub>/I<sub>2</sub> co-mediated cascade [4 + 2]/[3 + 2] cyclization to access spiroimidazolines.","Organic & biomolecular chemistry","2026","24","9","1920","1925","10.1039/d5ob01941a","","","0.71073","MoKα","","0.1068","0.0487","","","0.1138","0.136","","","","","","1.013","","","","has coordinates,has disorder","304959","2026-03-05","13:10:24",""
"7160957","11.1261","0.0004","12.1877","0.0004","24.0151","0.0008","84.653","0.001","78.813","0.001","78.216","0.001","3122.41","0.18","297","","297","","","","","","","","","6","P -1","-P 1","2","","","","- C32 H26 Br N4 O3 S -","- C32 H26 Br N4 O3 S -","- C128 H104 Br4 N16 O12 S4 -","4","2","","Hu, Dan; Yin, Heng; Li, Fuyu; He, Jiao; Deng, Chenlong; Liu, Lixia; Xia, Wen; Li, Yulong; Li, Chenyi","Diastereoselective construction of spiro-cyclopropyl-pyrazoles <i>via</i> a [2 + 1] annulation reaction of iminoindoline-derived alkenes and 4-bromo-pyrazolones.","Organic & biomolecular chemistry","2026","24","5","1063","1068","10.1039/d5ob01841b","","","0.71073","MoKα","","0.1189","0.0704","","","0.2164","0.2521","","","","","","1.054","","","","has coordinates","304381","2026-02-13","01:55:26",""
"7160958","9.803","0.001","10.3295","0.0012","12.6647","0.0015","90","","90","","90","","1282.4","0.2","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 O3 -","- C15 H18 O3 -","- C60 H72 O12 -","4","1","","Suresh, Anisha; Shingole, Mahendra; Kaliappan, Krishna P.","Total synthesis of (<i>ent</i>)-linderolide E and (<i>ent</i>)-15-hydroxy- and 15-acetoxyisogermafurenolides, and structural revision of (<i>ent</i>)-linderolide E.","Organic & biomolecular chemistry","2026","24","8","1678","1682","10.1039/d6ob00001k","","","0.71073","MoKα","","0.0485","0.0379","","","0.085","0.0909","","","","","","1.05","","","","has coordinates","304953","2026-03-05","13:08:17",""
"7160959","7.2933","0.0003","14.1291","0.0005","19.7449","0.0006","90","","95.884","0.003","90","","2023.95","0.13","150","0.1","150","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C44 H46 Br2 O8 -","- C44 H46 Br2 O8 -","- C88 H92 Br4 O16 -","2","1","","Suresh, Anisha; Shingole, Mahendra; Kaliappan, Krishna P.","Total synthesis of (<i>ent</i>)-linderolide E and (<i>ent</i>)-15-hydroxy- and 15-acetoxyisogermafurenolides, and structural revision of (<i>ent</i>)-linderolide E.","Organic & biomolecular chemistry","2026","24","8","1678","1682","10.1039/d6ob00001k","","x-ray","0.71073","MoKα","","0.1083","0.0591","","","0.1237","0.1516","","","","","","1.031","","","","has coordinates","304953","2026-03-05","13:08:18",""
"7160960","9.3798","0.0015","10.7769","0.0019","19.553","0.003","90","","90","","90","","1976.5","0.6","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H23 Br O4 -","- C22 H23 Br O4 -","- C88 H92 Br4 O16 -","4","1","","Suresh, Anisha; Shingole, Mahendra; Kaliappan, Krishna P.","Total synthesis of (<i>ent</i>)-linderolide E and (<i>ent</i>)-15-hydroxy- and 15-acetoxyisogermafurenolides, and structural revision of (<i>ent</i>)-linderolide E.","Organic & biomolecular chemistry","2026","24","8","1678","1682","10.1039/d6ob00001k","","","0.71073","MoKα","","0.0621","0.0434","","","0.0975","0.1068","","","","","","1.031","","","","has coordinates","304953","2026-03-05","13:08:18",""
"7160961","8.8535","0.0002","8.0124","0.0002","9.0131","0.0002","90","","104.91","0.003","90","","617.84","0.03","150","0.1","150","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H20 O3 -","- C14 H20 O3 -","- C28 H40 O6 -","2","1","","Suresh, Anisha; Shingole, Mahendra; Kaliappan, Krishna P.","Total synthesis of (<i>ent</i>)-linderolide E and (<i>ent</i>)-15-hydroxy- and 15-acetoxyisogermafurenolides, and structural revision of (<i>ent</i>)-linderolide E.","Organic & biomolecular chemistry","2026","24","8","1678","1682","10.1039/d6ob00001k","","x-ray","0.71073","MoKα","","0.0603","0.0391","","","0.0834","0.0964","","","","","","1.083","","","","has coordinates","304953","2026-03-05","13:08:18",""
"7160962","5.8919","0.0004","8.2884","0.0004","23.4295","0.0014","90","","97.035","0.006","90","","1135.55","0.12","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 Cl O3 -","- C12 H13 Cl O3 -","- C48 H52 Cl4 O12 -","4","1","","Shi, Yihao; Yoshikawa, Isao; Sakama, Akihiro; Kudo, Kazuaki","Synthesis of α-chloro-β-ketoesters <i>via</i> ytterbium(III) triflate-mediated decarboxylative Claisen-type condensation.","Organic & biomolecular chemistry","2026","24","11","2283","2289","10.1039/d5ob01966d","","","1.54184","CuKα","","0.0847","0.0765","","","0.2148","0.2192","","","","","","1.145","","","","has coordinates","305438","2026-04-05","12:26:06",""
"7160963","8.8119","0.0002","10.9981","0.0003","11.1334","0.0002","90.531","0.002","102.523","0.002","105.46","0.002","1012.62","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H24 N2 O4 S -","- C21 H24 N2 O4 S -","- C42 H48 N4 O8 S2 -","2","1","","Dwivedi, Astha M.; Butcher, Raymond J.; Bedekar, Ashutosh V.","Amino acid derived chiral thioureas: design, synthesis and applications as NMR resolving agents for enantioselective recognition.","Organic & biomolecular chemistry","2026","24","12","2447","2468","10.1039/d5ob02013a","","","1.54184","CuKα","","0.039","0.0355","","","0.096","0.0992","","","","","","1.058","","","","has coordinates","305442","2026-04-05","12:26:18",""
"7160964","22.7467","0.0003","7.33436","0.00011","13.43652","0.00016","90","","98.3898","0.0013","90","","2217.66","0.05","100.01","0.11","100.01","0.11","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","2-(1,5,5-trimethylbicyclo[2.2.1]heptan-2-ylidene)acetic acid","","- C12 H18 O2 -","- C12 H18 O2 -","- C96 H144 O16 -","8","1","","Tkachenko, Ilya M.; Nezamutdinova, Kamila R.; Gladarenko, Vladislav A.; Aksenov, Nicolai A.; Klimochkin, Yuri N.","Acid-induced rearrangements of polycyclic β-hydroxy acids and their esters.","Organic & biomolecular chemistry","2026","24","8","1620","1633","10.1039/d5ob02012c","","x-ray","1.54184","CuKα","","0.0498","0.0484","","","0.1333","0.135","","","","","","1.071","","","","has coordinates,has disorder","304947","2026-03-05","13:06:47",""
"7160965","8.532","0.006","12.602","0.007","13.827","0.007","66.33","0.04","89.21","0.03","71.32","0.03","1278.5","1.4","299","2","299","","","","","","","","","6","P -1","-P 1","2","","","","- C27 H26 F N O6 S -","- C27 H26 F N O6 S -","- C54 H52 F2 N2 O12 S2 -","2","1","","Torres-Oya, Sergio; Fernández-Rodríguez, Manuel A; Zurro, Mercedes","Enantioselective copper(II) catalysed (4 + 1) cycloaddition of aza-<i>o</i>-quinone methides and bromomalonates. Facile access to enantioenriched indolines.","Organic & biomolecular chemistry","2026","24","8","1690","1696","10.1039/d6ob00091f","","","1.54184","CuKα","","0.1097","0.0847","","","0.2431","0.2805","","","","","","1.065","","","","has coordinates","304948","2026-03-05","13:06:58",""
"7160966","8.743","0.0015","9.576","0.004","14.697","0.003","93.6","0.02","93.791","0.015","90.125","0.01","1225.3","0.6","220","2","220","","","","","","","","","5","P 1","P 1","1","","","","- C25 H31 N O6 S -","- C25 H31 N O6 S -","- C50 H62 N2 O12 S2 -","2","2","","Torres-Oya, Sergio; Fernández-Rodríguez, Manuel A; Zurro, Mercedes","Enantioselective copper(II) catalysed (4 + 1) cycloaddition of aza-<i>o</i>-quinone methides and bromomalonates. Facile access to enantioenriched indolines.","Organic & biomolecular chemistry","2026","24","8","1690","1696","10.1039/d6ob00091f","","","1.54184","CuKα","","0.0528","0.0509","","","0.138","0.1412","","","","","","1.017","","","","has coordinates","304948","2026-03-05","13:06:58",""
"7160967","8.8718","0.001","13.5374","0.0015","19.143","0.002","84.934","0.004","82.326","0.004","88.275","0.004","2269.2","0.4","101","","101","","","","","","","","","5","P -1","-P 1","2","","SB_JA_61","","- C19 H42 Br2 N Pd0.5 -","- C19 H42 Br2 N Pd0.5 -","- C76 H168 Br8 N4 Pd2 -","4","2","","Alam, Safiul; Khan, Aminur; Mallick, Asifur Rahaman; Islam, Md Samiul; Sarkar, Abhimanyu; Show, Bibhutibhushan; Ahmed, Jakir; Kumar, Amit; Maruani, Antoine; Dhimane, Hamid","Synthesis of carbazoles <i>via</i> aryl C-H activation triggered by surfactant-associated palladium nanoparticles under microwave-assisted heating.","Organic & biomolecular chemistry","2026","24","6","1279","1294","10.1039/d5ob01749a","","x-ray","0.71073","MoKα","","0.0689","0.0484","","","0.1196","0.1357","","","","","","1.023","","","","has coordinates","304387","2026-02-13","01:57:44",""
"7160968","9.339","0.005","18.62","0.009","10.873","0.005","90","","93.783","0.012","90","","1886.6","1.6","253","2","253","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C37 H56 N6 O6 -","- C37 H56 N6 O6 -","- C74 H112 N12 O12 -","2","1","","Han, Ingyu; Lee, Ha-Jin; Choi, Soo Hyuk","Controlled packing of metal-peptide superhelices with β-peptide foldamers.","Organic & biomolecular chemistry","2026","24","8","1600","1604","10.1039/d6ob00111d","","","0.71073","MoKα","","0.2273","0.0988","","","0.2449","0.3155","","","","","","0.968","","","","has coordinates","304954","2026-03-05","13:08:44",""
"7160969","13.461","0.003","9.63","0.0019","15.925","0.003","90","","109.83","0.03","90","","1941.9","0.8","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C35.5 H50.5 Ag B F4 N6.5 O5 -","- C35.5 H49.5 Ag B F4 N6.5 O5 -","- C71 H99 Ag2 B2 F8 N13 O10 -","2","1","","Han, Ingyu; Lee, Ha-Jin; Choi, Soo Hyuk","Controlled packing of metal-peptide superhelices with β-peptide foldamers.","Organic & biomolecular chemistry","2026","24","8","1600","1604","10.1039/d6ob00111d","","","0.7","synchrotron","","0.1407","0.0855","","","0.231","0.2601","","","","","","0.964","","","","has coordinates,has disorder","304954","2026-03-05","13:08:44",""
"7160970","11.114","0.009","18.316","0.016","23.2","0.02","68.48","0.03","89.72","0.03","82.79","0.03","4354","6","243","2","243","2","","","","","","","","5","P 1","P 1","1","","","","- C70 H96 Ag2 N12 O9 -","- C70 H96 Ag2 N12 O9 -","- C140 H192 Ag4 N24 O18 -","2","2","","Han, Ingyu; Lee, Ha-Jin; Choi, Soo Hyuk","Controlled packing of metal-peptide superhelices with β-peptide foldamers.","Organic & biomolecular chemistry","2026","24","8","1600","1604","10.1039/d6ob00111d","","","0.71073","MoKα","","0.1105","0.0674","","","0.1638","0.1889","","","","","","0.978","","","","has coordinates,has disorder","304954","2026-03-05","13:08:44",""
"7160971","9.5779","0.0018","16.535","0.003","25.143","0.005","90","","90","","90","","3981.9","1.3","243","2","243","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C35 H48 Ag B F4 N6 O4 -","- C35 H48 Ag B F4 N6 O4 -","- C140 H192 Ag4 B4 F16 N24 O16 -","4","1","","Han, Ingyu; Lee, Ha-Jin; Choi, Soo Hyuk","Controlled packing of metal-peptide superhelices with β-peptide foldamers.","Organic & biomolecular chemistry","2026","24","8","1600","1604","10.1039/d6ob00111d","","","0.71073","MoKα","","0.0974","0.0555","","","0.142","0.1698","","","","","","1.02","","","","has coordinates","304954","2026-03-05","13:08:44",""
"7160972","13.1319","0.0009","7.4931","0.0006","41.107","0.003","90","","90","","90","","4044.9","0.5","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H19 F N2 O -","- C26 H19 F N2 O -","- C208 H152 F8 N16 O8 -","8","1","","Banda, Bhanu Prasad; Gurla, Nikhitha; Nanubolu, Jagadeesh Babu; Atmakur, Krishnaiah","Base-catalyzed stereoselective synthesis of (<i>Z</i>)-6-arylidenedihydropyrano[2,3-<i>c</i>]pyrazoles <i>via</i> 6-<i>exo-dig</i> oxy-cyclization with pyrazolones and 4-tosyl-1,3-enynes.","Organic & biomolecular chemistry","2026","24","8","1716","1721","10.1039/d5ob01881a","","","0.71073","MoKα","","0.1353","0.0508","","","0.1096","0.1468","","","","","","0.986","","","","has coordinates","304951","2026-03-05","13:07:42",""
"7160973","10.8071","0.0012","11.494","0.0012","11.7684","0.0012","81.247","0.004","67.573","0.003","79.206","0.004","1322.1","0.2","193","2","193","","","","","","","","","6","P -1","-P 1","2","","","","- C29 H22 Br N3 O6 S -","- C29 H22 Br N3 O6 S -","- C58 H44 Br2 N6 O12 S2 -","2","1","","Wu, Zhengping; Fan, Renhua; He, Qiuqin","Synthesis of 4-amino-7-oxyindoles <i>via</i> dearomatization of 4-alkyl-2-alkynylanilines and dual fragment incorporation with <i>O</i>-benzoylhydroxylamines.","Organic & biomolecular chemistry","2026","24","5","989","994","10.1039/d5ob01832c","","","0.71073","MoKα","","0.0394","0.0324","","","0.0816","0.0854","","","","","","1.029","","","","has coordinates","304390","2026-02-13","01:59:07",""
"7160974","16.2681","0.0006","15.8022","0.0006","34.5237","0.0012","90","","90","","90","","8875.1","0.6","173","2","173","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C48 H43 Cl2 N3 O6 S2 -","- C48 H43 Cl2 N3 O6 S2 -","- C384 H344 Cl16 N24 O48 S16 -","8","1","","Wu, Zhengping; Fan, Renhua; He, Qiuqin","Synthesis of 4-amino-7-oxyindoles <i>via</i> dearomatization of 4-alkyl-2-alkynylanilines and dual fragment incorporation with <i>O</i>-benzoylhydroxylamines.","Organic & biomolecular chemistry","2026","24","5","989","994","10.1039/d5ob01832c","","","1.34139","GaKα","","0.0653","0.0472","","","0.1233","0.1347","","","","","","1.024","","","","has coordinates,has disorder","304390","2026-02-13","01:59:08",""
"7160975","7.6525","0.0006","5.5652","0.0005","15.5161","0.0011","90","","90.246","0.006","90","","660.79","0.09","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H15 N O3 -","- C15 H15 N O3 -","- C30 H30 N2 O6 -","2","1","","He, Ai-Jie; Jiang, Wen-Jie; Zhang, Yan-Ping; Yang, Lei; Zhao, Jian-Qiang; Wang, Zhen-Hua; Yuan, Wei-Cheng; You, Yong","Photoredox-catalyzed Giese reaction for the synthesis of γ-nitro alcohols.","Organic & biomolecular chemistry","2026","24","5","1042","1047","10.1039/d5ob01840d","","x-ray","1.54184","CuKα","","0.0686","0.0578","","","0.1659","0.1814","","","","","","1.059","","","","has coordinates,has disorder","304391","2026-02-13","01:59:21",""
"7160976","6.8584","0.0005","13.9916","0.0009","14.623","0.0012","116.987","0.004","92.24","0.005","101.866","0.004","1209.52","0.16","170","","170","","","","","","","","","4","P -1","-P 1","2","","(Z)-2-(4-bromophenyl)-3-phenylacrylonitrile","","- C15 H10 Br N -","- C15 H10 Br N -","- C60 H40 Br4 N4 -","4","2","","Li, Kai; Yang, Hao; Zhang, Yupu; Sun, Qi; Wang, Zhiyong","Synthesis of α-alkenylated nitriles <i>via</i> electrochemical generation of ketyl radicals.","Organic & biomolecular chemistry","2026","24","6","1346","1351","10.1039/d5ob01801c","","","1.54178","CuKα","","0.0931","0.0691","","","0.1914","0.2052","","","","","","1.065","","","","has coordinates","304392","2026-02-13","01:59:37",""
"7160977","17.2778","0.0015","7.6362","0.0007","17.0623","0.0015","90","","94.242","0.002","90","","2245","0.3","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H28 Cl F Ir N3 O -","- C24 H28 Cl F Ir N3 O -","- C96 H112 Cl4 F4 Ir4 N12 O4 -","4","1","","Bakibillah, Md; Hasan, Nazma; Singh, Rahul Kumar; Das, Rajesh Kumar","Hydrogen borrowing enabled Cp*Ir(III)-catalyzed C3 alkylation of indoles and oxindoles.","Organic & biomolecular chemistry","2026","24","6","1295","1317","10.1039/d5ob01852h","","","0.71073","MoKα","","0.0223","0.0193","","","0.0452","0.0476","","","","","","1.083","","","","has coordinates","304393","2026-02-13","02:00:00",""
"7160978","15.3316","0.0004","7.9185","0.0002","26.4152","0.0007","90","","90","","90","","3206.89","0.14","100","0.1","100","0.1","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C15 H19 N O4 Se -","- C15 H19 N O4 Se -","- C120 H152 N8 O32 Se8 -","8","1","","Sumida, Sao; Mori, Taiki; Shirakawa, Seiji","Direct synthesis of dehydroselenocysteine-containing peptides from cysteine derivatives.","Organic & biomolecular chemistry","2026","24","8","1609","1613","10.1039/d5ob01967b","","x-ray","1.54184","CuKα","","0.0356","0.0308","","","0.0803","0.0835","","","","","","1.052","","","","has coordinates","304955","2026-03-05","13:08:53",""
"7160979","15.532","0.007","11.97","0.005","17.168","0.006","90","","104.089","0.009","90","","3096","2","296","2","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H39 N O4 -","- C36 H39 N O4 -","- C144 H156 N4 O16 -","4","1","","Liang, Qiaofeng; Zhong, Zhiwen; Sheng, Zhihan; Sun, Bingfeng; Zhu, Chenlong","Aryne-mediated synthesis of sterically hindered arylamines using TEMPO as the amine source.","Organic & biomolecular chemistry","2026","24","9","1792","1797","10.1039/d5ob01872b","","","0.71073","MoKα","","0.2001","0.0779","","","0.1473","0.206","","","","","","0.982","","","","has coordinates","304958","2026-03-05","13:10:16",""
"7160980","10.7387","0.0005","11.1188","0.0006","14.816","0.0007","77.588","0.002","72.777","0.001","69.889","0.002","1574.03","0.14","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H35 F2 N O5 -","- C36 H35 F2 N O5 -","- C72 H70 F4 N2 O10 -","2","1","","Liang, Qiaofeng; Zhong, Zhiwen; Sheng, Zhihan; Sun, Bingfeng; Zhu, Chenlong","Aryne-mediated synthesis of sterically hindered arylamines using TEMPO as the amine source.","Organic & biomolecular chemistry","2026","24","9","1792","1797","10.1039/d5ob01872b","","","0.71073","MoKα","","0.1048","0.0554","","","0.1279","0.1523","","","","","","1.03","","","","has coordinates","304958","2026-03-05","13:10:16",""
"7160981","12.6226","0.0003","23.6168","0.0005","16.7526","0.0004","90","","107.956","0.001","90","","4750.8","0.19","100","2","100.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C99 H154 N4 O20 -","- C99 H154 N4 O20 -","- C198 H308 N8 O40 -","2","1","","Wang, Li; Liu, Rui; Yu, Zhiyin; Hou, Chun-Jun; Huang, Sheng-Xiong; Nian, Yin; Yang, Jing","Bisaspochalasin F: a tetrahydrofuran ring-fused cytochalasan homodimer from an endophytic <i>Aspergillus flavipes</i> as a Ca<sub>v</sub>3.2 inhibitor.","Organic & biomolecular chemistry","2026","24","10","2096","2101","10.1039/d6ob00028b","","","1.54178","CuKα","","0.0476","0.0473","","","0.128","0.1283","","","","","","1.077","","","","has coordinates","305428","2026-04-05","12:24:21",""
"7160982","9.2783","0.0003","13.2651","0.0004","17.3247","0.0005","90","","101.723","0.003","90","","2087.81","0.11","127","30","127","30","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H21 N3 O3 -","- C24 H21 N3 O3 -","- C96 H84 N12 O12 -","4","1","","Chen, Lin; Xu, Shuang; Chen, Zhiming","Aryne-involved α-C(sp<sup>3</sup>)-H arylation of 4-aminopyrazolones <i>via</i> two distinct systems: dual phase-transfer catalysis and ultraviolet photochemistry.","Organic & biomolecular chemistry","2026","24","11","2261","2269","10.1039/d5ob01838b","","x-ray","1.54184","CuKα","","0.0512","0.0458","","","0.1498","0.1599","","","","","","1.081","","","","has coordinates","305439","2026-04-05","12:26:08",""
"7160983","9.7589","0.0004","10.2067","0.0004","13.8927","0.0005","83.211","0.002","89.263","0.001","74.333","0.002","1322.78","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H35 N O2 -","- C34 H35 N O2 -","- C68 H70 N2 O4 -","2","1","","Cai, Xing; Zhu, Huixuan; Feng, Xueli; Deng, Hui; Li, Furong; Gao, Fan; Li, Jiaxin; Zhang, Jingli","A palladium-catalyzed cascade double annulation reaction to access unsymmetrical di(heteroaryl)methanes.","Organic & biomolecular chemistry","2026","24","10","2111","2117","10.1039/d6ob00211k","","","1.34139","GaKα","","0.0948","0.085","","","0.1685","0.1725","","","","","","1.153","","","","has coordinates","305427","2026-04-05","12:24:11",""
"7160984","9.497","0.0007","9.5185","0.0007","11.6945","0.0008","104.852","0.006","96.426","0.006","106.54","0.007","959.85","0.13","293","","293","","","","","","","","","5","P -1","-P 1","2","","1","","- C22 H23 N O2 S -","- C22 H23 N O2 S -","- C44 H46 N2 O4 S2 -","2","1","","Dong, Fucong; Liu, He; Xiong, Xiaodong","Modular synthesis of sulfilimines <i>via</i> NFSI-mediated S-arylation of sulfenamides with naphthols, phenols and indoles.","Organic & biomolecular chemistry","2026","24","7","1515","1521","10.1039/d5ob01861g","","x-ray","0.71073","MoKα","","0.0752","0.0603","","","0.1445","0.1584","","","","","","1.077","","","","has coordinates","304532","2026-02-19","02:07:46",""
"7160985","27.8169","0.001","12.6863","0.0006","3.9186","0.0002","90","","90","","90","","1382.85","0.11","123","0.1","123","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C16 H11 N S3 -","- C16 H11 N S3 -","- C64 H44 N4 S12 -","4","1","","Chu, Ngoc Lan; Tran, Quang Huy; Tran, Quynh Trang; Bui, Thai Thanh Thu; Mac, Dinh Hung; Ngo, Quoc Anh; Pham, Quoc Nghi; Nguyen, Le Anh; Retailleau, Pascal; Nguyen, Thanh Binh","Base-promoted decarboxylative condensation of cinnamonitriles and phenylacetic acids with sulfur: direct access to azatrithiapentalenes.","Organic & biomolecular chemistry","2026","24","7","1424","1427","10.1039/d5ob01790d","","x-ray","0.71073","MoKα","","0.0247","0.0213","","","0.0329","0.0337","","","","","","1.0449","","","","has coordinates,has disorder","304533","2026-02-19","02:08:29",""
"7160986","14.069","0.0005","18.3904","0.0007","8.9706","0.0004","90","","91.92","0.004","90","","2319.7","0.16","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,2-bis(5-(4-isopropylphenyl)isothiazol-3-yl)disulfane","","- C24 H24 N2 S4 -","- C24 H24 N2 S4 -","- C96 H96 N8 S16 -","4","1","","Chu, Ngoc Lan; Tran, Quang Huy; Tran, Quynh Trang; Bui, Thai Thanh Thu; Mac, Dinh Hung; Ngo, Quoc Anh; Pham, Quoc Nghi; Nguyen, Le Anh; Retailleau, Pascal; Nguyen, Thanh Binh","Base-promoted decarboxylative condensation of cinnamonitriles and phenylacetic acids with sulfur: direct access to azatrithiapentalenes.","Organic & biomolecular chemistry","2026","24","7","1424","1427","10.1039/d5ob01790d","","x-ray","0.71073","MoKα","","0.0521","0.0417","","","0.0857","0.091","","","","","","1.0841","","","","has coordinates","304533","2026-02-19","02:08:29",""
"7160987","7.8115","0.0003","10.1175","0.0005","13.4986","0.0005","90","","90","","90","","1066.83","0.08","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C5 H6 Cl N9 O5 -","- C5 H6 Cl N9 O5 -","- C20 H24 Cl4 N36 O20 -","4","1","","Miao, Xiangyan; Yu, Jiyuan; Li, Yuchuan; Pang, Siping","One-step amino-to-nitro transformation of carbonyl-containing fused-ring energetic compounds in nitric acid.","Organic & biomolecular chemistry","2026","24","7","1481","1487","10.1039/d5ob01855b","","","0.71073","MoKα","","0.0558","0.0429","","","0.0886","0.0956","","","","","","1.055","","","","has coordinates,has disorder","304534","2026-02-19","02:08:53",""
"7160988","11.1923","0.001","5.1853","0.0004","13.3376","0.0012","90","","94.83","0.004","90","","771.3","0.11","170","","170","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H4 N6 O5 -","- C4 H4 N6 O5 -","- C16 H16 N24 O20 -","4","1","","Miao, Xiangyan; Yu, Jiyuan; Li, Yuchuan; Pang, Siping","One-step amino-to-nitro transformation of carbonyl-containing fused-ring energetic compounds in nitric acid.","Organic & biomolecular chemistry","2026","24","7","1481","1487","10.1039/d5ob01855b","","","0.71073","MoKα","","0.1215","0.0766","","","0.2203","0.261","","","","","","1.094","","","","has coordinates","304534","2026-02-19","02:08:54",""
"7160989","6.5845","0.0006","8.3838","0.0007","10.3193","0.0008","67.746","0.003","88.999","0.003","87.729","0.003","526.81","0.08","170","","170","","","","","","","","","4","P -1","-P 1","2","","","","- C4 H11 N7 O7 -","- C4 H11 N7 O7 -","- C8 H22 N14 O14 -","2","1","","Miao, Xiangyan; Yu, Jiyuan; Li, Yuchuan; Pang, Siping","One-step amino-to-nitro transformation of carbonyl-containing fused-ring energetic compounds in nitric acid.","Organic & biomolecular chemistry","2026","24","7","1481","1487","10.1039/d5ob01855b","","","0.71073","MoKα","","0.1332","0.0656","","","0.1632","0.2157","","","","","","1.063","","","","has coordinates","304534","2026-02-19","02:08:54",""
"7160990","8.4871","0.0019","12.362","0.003","17.148","0.004","90.504","0.009","97.493","0.01","103.217","0.009","1735.1","0.7","178","2","178","","","","","","","","","6","P -1","-P 1","2","","","","- C77 H66 Br2 N8 O6 S2 -","- C77.444 H66.11 Br2 N8 O6.444 S2 -","- C77.444 H66.11 Br2 N8 O6.444 S2 -","1","0.5","","Tian, Yuan-Hang; Yang, Qi-Chun; Liu, Yu-Xuan; Qin, Peng; Li, Jun-Long; Wu, Yi-Qi; Zeng, Rong; Zhang, Dong-Ming; Zhang, Xiang; Leng, Hai-Jun","Chemo- and diastereoselective synthesis of spiro-iminoindoline-pyrazolines as potential antioxidant reagents.","Organic & biomolecular chemistry","2026","24","7","1488","1495","10.1039/d5ob01910a","","","0.71073","MoKα","","0.0943","0.0595","","","0.1601","0.1831","","","","","","1.033","","","","has coordinates,has disorder","304535","2026-02-19","02:09:09",""
"7160991","6.8267","0.0001","11.0677","0.0002","13.3937","0.0002","106.294","0.001","90.195","0.001","97.336","0.001","962.56","0.03","273.15","","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C8 H8 B N O5 -","- C8 H8 B N O5 -","- C32 H32 B4 N4 O20 -","4","2","","Song, Daan; Zhao, Xue; Lu, Fei; Sun, Xinhao; Wang, Guanghui; Xu, Liang; Zhao, Ximei","Copper-catalyzed synthesis of <i>gem</i>-diborylalkanes by B-H bond insertion of α-furyl boryl carbenes.","Organic & biomolecular chemistry","2026","24","7","1440","1446","10.1039/d5ob01996f","","","1.54178","CuKα","","0.057","0.0548","","","0.1461","0.148","","","","","","1.035","","","","has coordinates","304536","2026-02-19","02:09:38",""
"7160992","10.958","","13.2","","26.66","","90","","90","","90","","3856.25","","299","","299","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C16 H26 B2 N2 O6 -","- C16 H26 B2 N2 O6 -","- C128 H208 B16 N16 O48 -","8","2","","Song, Daan; Zhao, Xue; Lu, Fei; Sun, Xinhao; Wang, Guanghui; Xu, Liang; Zhao, Ximei","Copper-catalyzed synthesis of <i>gem</i>-diborylalkanes by B-H bond insertion of α-furyl boryl carbenes.","Organic & biomolecular chemistry","2026","24","7","1440","1446","10.1039/d5ob01996f","","","1.54184","CuKα","","0.0351","0.0332","","","0.0904","0.0922","","","","","","1.036","","","","has coordinates","304536","2026-02-19","02:09:38",""
"7160993","15.0392","0.0003","5.6482","0.0001","20.2067","0.0004","90","","93.41","0.001","90","","1713.41","0.06","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 N O3 -","- C22 H19 N O3 -","- C88 H76 N4 O12 -","4","1","","Lad, Bapurao Sudam; Kundu, Chayan Kumar; Tripathi, Sanchita; Katukojvala, Sreenivas","[4 + 3] Annulation of diazoenals and 3-substituted 2-oxindoles: rapid access to indolo-oxazepines and a 5-HT<sub>4</sub> receptor antagonist core.","Organic & biomolecular chemistry","2026","24","7","1447","1451","10.1039/d5ob01964h","","","0.71073","MoKα","","0.0847","0.0544","","","0.1106","0.1214","","","","","","1.103","","","","has coordinates","304537","2026-02-19","02:10:22",""
"7160994","9.2002","0.0004","8.2262","0.0003","37.1993","0.0015","90","","90","","90","","2815.3","0.2","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H19 N O3 -","- C16 H19 N O3 -","- C128 H152 N8 O24 -","8","1","","Lad, Bapurao Sudam; Kundu, Chayan Kumar; Tripathi, Sanchita; Katukojvala, Sreenivas","[4 + 3] Annulation of diazoenals and 3-substituted 2-oxindoles: rapid access to indolo-oxazepines and a 5-HT<sub>4</sub> receptor antagonist core.","Organic & biomolecular chemistry","2026","24","7","1447","1451","10.1039/d5ob01964h","","","0.71073","MoKα","","0.0441","0.0408","","","0.1075","0.1108","","","","","","0.9387","","","","has coordinates","304537","2026-02-19","02:10:23",""
"7160995","19.09","0.0017","9.6073","0.0008","20.2257","0.0018","90","","95.037","0.003","90","","3695.1","0.6","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H11 I N2 O2 -","- C11 H11 I N2 O2 -","- C132 H132 I12 N24 O24 -","12","3","","Shete, Sanket S.; Sathya Sai Saranya, N.; Sairam, Kamutam; Kandadi, Mounika; Reddy, D. Srinivasa","Multigram-scale synthesis of an experimental antibiotic, Lolamicin and its intermediate.","Organic & biomolecular chemistry","2026","24","7","1413","1417","10.1039/d5ob01914a","","","0.71073","MoKα","","0.0343","0.0267","","","0.071","0.0766","","","","","","1.017","","","","has coordinates,has disorder","304538","2026-02-19","02:10:39",""
"7160996","13.3789","0.0009","12.2013","0.0008","8.2874","0.0005","90","","105.751","0.003","90","","1302.04","0.15","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H11 N O2 -","- C18 H11 N O2 -","- C72 H44 N4 O8 -","4","1","","Chauhan, Shivani Singh; Kakadiya, Harikrushn Ghanashyambhai; Singh, Anupam Kumar; Ghosh, Eliza; Paine, Tapan Kanti; Bhadra, Sukalyan","Nickel catalysed SET-induced oxygenation of (aryl)(N-heteroaryl)methanes with molecular oxygen.","Organic & biomolecular chemistry","2026","24","7","1474","1480","10.1039/d5ob01658d","","","0.71073","MoKα","","0.1051","0.0466","","","0.1217","0.1797","","","","","","1.137","","","","has coordinates","304539","2026-02-19","02:10:51",""
"7160997","7.1709","0.0005","8.8883","0.0007","19.2532","0.0015","97.35","0.006","96.784","0.006","91.666","0.006","1207.32","0.16","300","","300","","","","","","","","","6","P -1","-P 1","2","","(Z)-(4-chlorophenyl)(2-methyl-2-(2,2,2-trifluoroethyl)-1,2-dihydro-3H-benzo[d]pyrrolo[1 ,2-a]imidazol-3-ylidene)methyl diethylcarbamate","","- C25 H25 Cl F3 N3 O2 -","- C25 H25 Cl F3 N3 O2 -","- C50 H50 Cl2 F6 N6 O4 -","2","1","","Liu, Lixin; Liu, Min; Wang, Qian; Liu, Bifu; Feng, Kejun","Copper-catalyzed four-component radical cascade cyclization of enynes to assemble trifluoromethyl- and carbamoyloxyl-substituted pyrrolo[1,2-<i>a</i>]benzimidazoles.","Organic & biomolecular chemistry","2026","24","7","1418","1423","10.1039/d5ob01924a","","x-ray","0.71073","MoKα","","0.2525","0.0704","","","0.115","0.1654","","","","","","0.96","","","","has coordinates","304540","2026-02-19","02:11:03",""
"7160998","8.1853","0.0002","17.5919","0.0005","9.6213","0.0003","90","","109.872","0.001","90","","1302.92","0.06","80","2","80","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H15 N O3 -","- C17 H15 N O3 -","- C68 H60 N4 O12 -","4","1","","Cala Gomez, L. Javier; Calvo, Natalia L.; Salazar, Mario O.; Simonetti, Sebastian O.; Furlan, Ricardo L. E.; Bracca, Andrea B. J.; Kaufman, Teodoro S.","Synthesis and evaluation of analogs of tetracyclic <i>Ganoderma</i> alkaloids as inhibitors of the enzyme α-glucosidase.","Organic & biomolecular chemistry","2026","24","7","1452","1467","10.1039/d5ob01787d","","","0.71073","MoKα","","0.0367","0.035","","","0.0991","0.1007","","","","","","1.048","","","","has coordinates","304541","2026-02-19","02:11:19",""
"7160999","8.0988","0.0004","18.4631","0.0007","9.7483","0.0003","90","","110.421","0.001","90","","1366.05","0.1","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H15 N O3 -","- C17 H15 N O3 -","- C68 H60 N4 O12 -","4","1","","Cala Gomez, L. Javier; Calvo, Natalia L.; Salazar, Mario O.; Simonetti, Sebastian O.; Furlan, Ricardo L. E.; Bracca, Andrea B. J.; Kaufman, Teodoro S.","Synthesis and evaluation of analogs of tetracyclic <i>Ganoderma</i> alkaloids as inhibitors of the enzyme α-glucosidase.","Organic & biomolecular chemistry","2026","24","7","1452","1467","10.1039/d5ob01787d","","","0.71073","MoKα","","0.1327","0.0804","","","0.224","0.3157","","","","","","1.113","","","","has coordinates,has disorder","304541","2026-02-19","02:11:20",""
"7161000","8.0802","0.0005","9.339","0.0004","9.4648","0.0006","90","","111.201","0.007","90","","665.88","0.07","99.9","0.5","99.9","0.5","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H21 N O -","- C14 H21 N O -","- C28 H42 N2 O2 -","2","1","","Szymańska, Julia; Palusiak, Marcin; Rybarczyk-Pirek, Agnieszka J; Wiosna-Sałyga, Gabriela; Rachwalski, Michał; Pieczonka, Adam M.","Regio- and stereoselective ring-opening of aziridines: a click chemistry approach to chiral amino alcohols and triazole-modified compounds.","Organic & biomolecular chemistry","2026","24","11","2254","2260","10.1039/d6ob00147e","","","1.54184","CuKα","","0.046","0.0438","","","0.1171","0.1236","","","","","","1.108","","","","has coordinates","305437","2026-04-05","12:26:02",""
"7161001","8.5013","0.0001","10.511","0.0001","13.5927","0.0002","90","","90","","90","","1214.61","0.03","100","0.4","100","0.4","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H19 N O -","- C13 H19 N O -","- C52 H76 N4 O4 -","4","1","","Szymańska, Julia; Palusiak, Marcin; Rybarczyk-Pirek, Agnieszka J; Wiosna-Sałyga, Gabriela; Rachwalski, Michał; Pieczonka, Adam M.","Regio- and stereoselective ring-opening of aziridines: a click chemistry approach to chiral amino alcohols and triazole-modified compounds.","Organic & biomolecular chemistry","2026","24","11","2254","2260","10.1039/d6ob00147e","","x-ray","1.54184","CuKα","","0.0301","0.0299","","","0.0737","0.0738","","","","","","1.064","","","","has coordinates","305437","2026-04-05","12:26:02",""
"7161002","10.815","0.0002","6.5557","0.0001","11.7844","0.0002","90","","110.377","0.002","90","","783.23","0.03","110","0.1","110","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H18 N4 O -","- C16 H18 N4 O -","- C32 H36 N8 O2 -","2","1","","Szymańska, Julia; Palusiak, Marcin; Rybarczyk-Pirek, Agnieszka J; Wiosna-Sałyga, Gabriela; Rachwalski, Michał; Pieczonka, Adam M.","Regio- and stereoselective ring-opening of aziridines: a click chemistry approach to chiral amino alcohols and triazole-modified compounds.","Organic & biomolecular chemistry","2026","24","11","2254","2260","10.1039/d6ob00147e","","","1.54184","CuKα","","0.0485","0.0482","","","0.1351","0.1355","","","","","","1.073","","","","has coordinates","305437","2026-04-05","12:26:02",""
"7161003","5.6073","0.0001","14.122","0.0002","24.5457","0.0003","90","","90","","90","","1943.68","0.05","294.58","0.1","294.58","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H26 N4 O -","- C21 H26 N4 O -","- C84 H104 N16 O4 -","4","1","","Szymańska, Julia; Palusiak, Marcin; Rybarczyk-Pirek, Agnieszka J; Wiosna-Sałyga, Gabriela; Rachwalski, Michał; Pieczonka, Adam M.","Regio- and stereoselective ring-opening of aziridines: a click chemistry approach to chiral amino alcohols and triazole-modified compounds.","Organic & biomolecular chemistry","2026","24","11","2254","2260","10.1039/d6ob00147e","","","1.54184","CuKα","","0.0464","0.0441","","","0.1335","0.1371","","","","","","1.058","","","","has coordinates,has disorder","305437","2026-04-05","12:26:02",""
"7161004","5.993","0.0001","15.3371","0.0004","16.5036","0.0004","90","","90","","90","","1516.93","0.06","294.8","0.2","294.8","0.2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H22 N4 O -","- C14 H22 N4 O -","- C56 H88 N16 O4 -","4","1","","Szymańska, Julia; Palusiak, Marcin; Rybarczyk-Pirek, Agnieszka J; Wiosna-Sałyga, Gabriela; Rachwalski, Michał; Pieczonka, Adam M.","Regio- and stereoselective ring-opening of aziridines: a click chemistry approach to chiral amino alcohols and triazole-modified compounds.","Organic & biomolecular chemistry","2026","24","11","2254","2260","10.1039/d6ob00147e","","","1.54184","CuKα","","0.044","0.0376","","","0.0972","0.1021","","","","","","1.061","","","","has coordinates","305437","2026-04-05","12:26:02",""
"7161005","6.7627","0.0001","12.3209","0.0002","17.7941","0.0002","90","","90","","90","","1482.65","0.04","294.23","0.1","294.23","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H20 N4 O -","- C13 H20 N4 O -","- C52 H80 N16 O4 -","4","1","","Szymańska, Julia; Palusiak, Marcin; Rybarczyk-Pirek, Agnieszka J; Wiosna-Sałyga, Gabriela; Rachwalski, Michał; Pieczonka, Adam M.","Regio- and stereoselective ring-opening of aziridines: a click chemistry approach to chiral amino alcohols and triazole-modified compounds.","Organic & biomolecular chemistry","2026","24","11","2254","2260","10.1039/d6ob00147e","","","1.54184","CuKα","","0.0377","0.0355","","","0.0985","0.1003","","","","","","1.074","","","","has coordinates","305437","2026-04-05","12:26:02",""
"7161006","8.499","0.0001","10.5035","0.0001","13.595","0.0001","90","","90","","90","","1213.62","0.02","100","0.4","100","0.4","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H19 N O -","- C13 H19 N O -","- C52 H76 N4 O4 -","4","1","","Szymańska, Julia; Palusiak, Marcin; Rybarczyk-Pirek, Agnieszka J; Wiosna-Sałyga, Gabriela; Rachwalski, Michał; Pieczonka, Adam M.","Regio- and stereoselective ring-opening of aziridines: a click chemistry approach to chiral amino alcohols and triazole-modified compounds.","Organic & biomolecular chemistry","2026","24","11","2254","2260","10.1039/d6ob00147e","","x-ray","1.54184","CuKα","","0.0279","0.0275","","","0.0689","0.0693","","","","","","1.038","","","","has coordinates","305437","2026-04-05","12:26:02",""
"7161007","5.6071","0.0001","14.1175","0.0003","24.5345","0.0004","90","","90","","90","","1942.11","0.06","294.56","0.1","294.56","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H26 N4 O -","- C21 H26 N4 O -","- C84 H104 N16 O4 -","4","1","","Szymańska, Julia; Palusiak, Marcin; Rybarczyk-Pirek, Agnieszka J; Wiosna-Sałyga, Gabriela; Rachwalski, Michał; Pieczonka, Adam M.","Regio- and stereoselective ring-opening of aziridines: a click chemistry approach to chiral amino alcohols and triazole-modified compounds.","Organic & biomolecular chemistry","2026","24","11","2254","2260","10.1039/d6ob00147e","","","1.54184","CuKα","","0.0617","0.0583","","","0.1754","0.1812","","","","","","1.051","","","","has coordinates","305437","2026-04-05","12:26:02",""
"7161008","12.7923","0.0002","5.6956","0.0001","15.1879","0.0002","90","","109.498","0.002","90","","1043.13","0.03","293.79","0.1","293.79","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H24 N4 O -","- C24 H26 N4 O -","- C48 H52 N8 O2 -","2","1","","Szymańska, Julia; Palusiak, Marcin; Rybarczyk-Pirek, Agnieszka J; Wiosna-Sałyga, Gabriela; Rachwalski, Michał; Pieczonka, Adam M.","Regio- and stereoselective ring-opening of aziridines: a click chemistry approach to chiral amino alcohols and triazole-modified compounds.","Organic & biomolecular chemistry","2026","24","11","2254","2260","10.1039/d6ob00147e","","","1.54184","CuKα","","0.0583","0.0568","","","0.1691","0.1716","","","","","","1.055","","","","has coordinates,has disorder","305437","2026-04-05","12:26:02",""
"7161009","5.76272","0.00005","12.83","0.0001","17.7996","0.0001","90","","90","","90","","1316.03","0.017","100","0.5","100","0.5","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 N O -","- C16 H17 N O -","- C64 H68 N4 O4 -","4","1","","Szymańska, Julia; Palusiak, Marcin; Rybarczyk-Pirek, Agnieszka J; Wiosna-Sałyga, Gabriela; Rachwalski, Michał; Pieczonka, Adam M.","Regio- and stereoselective ring-opening of aziridines: a click chemistry approach to chiral amino alcohols and triazole-modified compounds.","Organic & biomolecular chemistry","2026","24","11","2254","2260","10.1039/d6ob00147e","","","1.54184","CuKα","","0.026","0.0256","","","0.0618","0.0621","","","","","","1.051","","","","has coordinates","305437","2026-04-05","12:26:02",""
"7161010","15.3455","0.0004","5.6711","0.0002","25.6255","0.0009","90","","99.668","0.003","90","","2198.41","0.13","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H25 F3 N4 O -","- C22 H25 F3 N4 O -","- C88 H100 F12 N16 O4 -","4","2","","Szymańska, Julia; Palusiak, Marcin; Rybarczyk-Pirek, Agnieszka J; Wiosna-Sałyga, Gabriela; Rachwalski, Michał; Pieczonka, Adam M.","Regio- and stereoselective ring-opening of aziridines: a click chemistry approach to chiral amino alcohols and triazole-modified compounds.","Organic & biomolecular chemistry","2026","24","11","2254","2260","10.1039/d6ob00147e","","","1.54184","CuKα","","0.127","0.0965","","","0.2317","0.2415","","","","","","1.252","","","","has coordinates,has disorder","305437","2026-04-05","12:26:02",""
"7161011","5.45","0.0001","8.0974","0.0001","34.145","0.0008","90","","90","","90","","1506.85","0.05","110","0.1","110","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 N4 O -","- C16 H18 N4 O -","- C64 H72 N16 O4 -","4","1","","Szymańska, Julia; Palusiak, Marcin; Rybarczyk-Pirek, Agnieszka J; Wiosna-Sałyga, Gabriela; Rachwalski, Michał; Pieczonka, Adam M.","Regio- and stereoselective ring-opening of aziridines: a click chemistry approach to chiral amino alcohols and triazole-modified compounds.","Organic & biomolecular chemistry","2026","24","11","2254","2260","10.1039/d6ob00147e","","","1.54184","CuKα","","0.0283","0.0275","","","0.0709","0.0715","","","","","","1.028","","","","has coordinates","305437","2026-04-05","12:26:02",""
"7161012","6.1263","0.0005","10.18","0.0008","12.5965","0.001","92.875","0.0018","98.3576","0.0017","90.9987","0.0019","776.03","0.11","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H17 N O3 -","- C19 H17 N O3 -","- C38 H34 N2 O6 -","2","1","","Azimi, Reyhaneh; Amiri, Kamran; Hosseini, S. Sina; Stranger, Robert; Ariafard, Alireza; Rominger, Frank; Bijanzadeh, Hamid Reza; Balalaie, Saeed","Synthesis of oxaprozin analogs from 2<i>H</i>-azirines and cyclic anhydrides.","Organic & biomolecular chemistry","2026","24","13","2761","2767","10.1039/d6ob00168h","","","0.71073","MoKα","","0.0732","0.047","","","0.0964","0.1072","","","","","","1.042","","","","has coordinates,has disorder","305431","2026-04-05","12:25:13",""
"7161013","21.1835","0.0003","4.85638","0.00004","13.24574","0.00016","90","","103.071","0.0012","90","","1327.35","0.03","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H19 N O2 -","- C15 H19 N O2 -","- C60 H76 N4 O8 -","4","1","","Silver, Raju; Kelley, Steven P.; Sathyamoorthi, Shyam","Adapting Bower's intramolecular aziridination reaction allows for a metal-free synthesis of N-H aziridines.","Organic & biomolecular chemistry","2026","24","12","2504","2509","10.1039/d6ob00025h","","","1.54178","CuKα","","0.0635","0.0609","","","0.1658","0.1686","","","","","","1.019","","","","has coordinates,has disorder","305446","2026-04-05","12:26:44",""
"7161014","9.9386","0.0005","11.3326","0.0005","18.1315","0.0009","74.496","0.004","87.854","0.004","65.355","0.004","1782.19","0.17","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C23 H17 F4 N -","- C23 H17 F4 N -","- C92 H68 F16 N4 -","4","2","","Yang, Shizhou; Wang, Mingliang; Jiang, Hong; Wang, Rui; Xing, Yurou; Luo, Shuang; Ding, Qinlin","Substrate-controlled divergent synthesis of substituted carbazoles through a cascade reaction of 2-alkenylindoles with α,β-unsaturated ketones.","Organic & biomolecular chemistry","2026","24","12","2415","2422","10.1039/d6ob00081a","","x-ray","1.54184","CuKα","","0.0416","0.0407","","","0.1018","0.1024","","","","","","1.083","","","","has coordinates","305440","2026-04-05","12:26:11",""
"7161015","9.0837","0.0002","10.11921","0.00018","12.4621","0.0003","72.752","0.002","75.888","0.002","86.8218","0.0017","1060.81","0.04","170","0.1","170","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C26 H25 F3 N -","- C26 H25 F3 N -","- C52 H50 F6 N2 -","2","1","","Yang, Shizhou; Wang, Mingliang; Jiang, Hong; Wang, Rui; Xing, Yurou; Luo, Shuang; Ding, Qinlin","Substrate-controlled divergent synthesis of substituted carbazoles through a cascade reaction of 2-alkenylindoles with α,β-unsaturated ketones.","Organic & biomolecular chemistry","2026","24","12","2415","2422","10.1039/d6ob00081a","","x-ray","1.54184","CuKα","","0.0574","0.0546","","","0.161","0.164","","","","","","1.036","","","","has coordinates,has disorder","305440","2026-04-05","12:26:11",""
"7161016","8.4931","0.0003","11.6134","0.0005","13.1704","0.0005","70.512","0.001","83.813","0.001","69.334","0.001","1145.75","0.08","300","2","300","","","","","","","","","4","P -1","-P 1","2","","","","- C27 H21 F3 O4 -","- C27 H21 F3 O4 -","- C54 H42 F6 O8 -","2","1","","Mishra, Gitanjali; Indu, Potnuru; Muduli, Gitanjali; Thirupathi, Barla","Ynones as versatile electrophiles for the divergent synthesis of 4<i>H</i>-chromenes and 1,4-dihydroquinolines.","Organic & biomolecular chemistry","2026","24","12","2481","2486","10.1039/d6ob00097e","","","0.71073","MoKα","","0.2837","0.0908","","","0.2126","0.3045","","","","","","0.957","","","","has coordinates","305441","2026-04-05","12:26:16",""
"7161017","11.361","0.002","11.211","0.002","22.472","0.004","90","","92.37","0.006","90","","2859.8","0.9","298.15","","298.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H29 N O5 S -","- C33 H29 N O5 S -","- C132 H116 N4 O20 S4 -","4","1","","Mishra, Gitanjali; Indu, Potnuru; Muduli, Gitanjali; Thirupathi, Barla","Ynones as versatile electrophiles for the divergent synthesis of 4<i>H</i>-chromenes and 1,4-dihydroquinolines.","Organic & biomolecular chemistry","2026","24","12","2481","2486","10.1039/d6ob00097e","","","0.71073","MoKα","","0.0754","0.0513","","","0.1216","0.1379","","","","","","1.022","","","","has coordinates,has disorder","305441","2026-04-05","12:26:16",""
"7161018","5.5758","0.0003","20.3604","0.001","22.2066","0.0012","90","","94.007","0.002","90","","2514.9","0.2","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(Z)-N-(2-([1,1'-biphenyl]-4-yl)-2-chlorovinyl)-N-hexyl-4-methylbenzenesulfonamide","","- C27 H30 Cl N O2 S -","- C27 H30 Cl N O2 S -","- C108 H120 Cl4 N4 O8 S4 -","4","1","","Lv, Qing-Long; Fan, Yue; Qi, Yuanbing; Lu, Yuzhe; Xue, Yinjiang; Shi, Ao-Tong; Xia, Hongqiang; Li, Dianjun","Base-promoted cascade haloamination/β-elimination of alkenyl thianthrenium salts: access to (<i>Z</i>)-β-chloroenamines.","Organic & biomolecular chemistry","2026","24","11","2225","2229","10.1039/d6ob00027d","","x-ray","0.71073","MoKα","","0.2045","0.094","","","0.2332","0.3325","","","","","","1.041","","","","has coordinates,has disorder","305436","2026-04-05","12:25:46",""
"7161019","9.3321","0.0003","13.1747","0.0004","17.9409","0.0004","90","","92.91","0.002","90","","2202.95","0.11","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H25 N O2 S -","- C27 H25 N O2 S -","- C108 H100 N4 O8 S4 -","4","1","","Wang, Yijie; Li, Yu; Zhang, Lisha; Chang, Junbiao; Wang, Xiao-Na","Metal-free quinoline synthesis <i>via</i> Brønsted acid-promoted cyclization of ene-ynamides.","Organic & biomolecular chemistry","2026","24","4","899","904","10.1039/d5ob01680k","","x-ray","1.54184","CuKα","","0.0748","0.0579","","","0.1589","0.1826","","","","","","1.039","","","","has coordinates,has disorder","304794","2026-03-05","00:21:04",""
"7161020","11.5859","0.0002","16.1437","0.0004","17.9952","0.0004","90","","90","","90","","3365.81","0.13","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H26 Cl6 N4 O2 -","- C32 H26 Cl6 N4 O2 -","- C128 H104 Cl24 N16 O8 -","4","1","","Zhao, Shi-Na; Song, Hui-Qiao; Hu, Yi; Gao, Fen; He, Yonghui; Zhao, Xiao-Jing","Catalytic asymmetric 1,6-type Friedel-Crafts (hetero)arylations of δ-cyano substituted <i>para</i>-quinone methides with 5-aminopyrazoles.","Organic & biomolecular chemistry","2026","24","4","805","810","10.1039/d5ob01738f","","","1.54178","CuKα","","0.0668","0.0646","","","0.1801","0.1825","","","","","","1.044","","","","has coordinates","304795","2026-03-05","00:21:23",""
"7161021","9.3689","0.0004","20.2488","0.0011","19.9947","0.0009","90","","90.219","0.002","90","","3793.1","0.3","304","2","304","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","ram_n_25_r3_a","","","- C21 H21 N3 O5 -","- C21 H21 N3 O5 -","- C168 H168 N24 O40 -","8","1","","Kumar, Saurabh; Pathak, Amit Kumar; Newar, Uma Devi; Nayak, Abhimanyu; Bora, Monjuri; Sarmah, Hrishikesh; Ghosh, Subrata; Maurya, Ram Awatar","C(3)-H alkenylation of quinoxalin-2(1<i>H</i>)-ones with Hantzsch esters and <i>in silico</i> studies.","Organic & biomolecular chemistry","2026","24","4","921","933","10.1039/d5ob01795e","","","0.71073","MoKα","","0.0765","0.0497","","","0.1289","0.1514","","","","","","1.051","","","","has coordinates,has disorder","304797","2026-03-05","00:22:00",""
"7161022","15.382","0.00014","20.5919","0.0002","17.87192","0.00016","90","","98.5017","0.0009","90","","5598.63","0.09","150","0.1","150","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C15 H15 N3 O3 -","- C15 H15 N3 O3 -","- C240 H240 N48 O48 -","16","2","","Aizezi, Bumairemu; Yusan, Bulunuer; Sun, Pinchang; Wusiman, Abudureheman","Iron-catalyzed oxidative cleavage of C-N bonds of tertiary amines: syntheses of unsymmetrical ureas from isocyanates.","Organic & biomolecular chemistry","2026","24","4","905","910","10.1039/d5ob01697e","","x-ray","1.54184","CuKα","","0.0395","0.0364","","","0.0965","0.099","","","","","","1.058","","","","has coordinates","304799","2026-03-05","00:22:49",""
"7161023","11.4985","0.0004","12.1145","0.0004","13.9074","0.0005","71.901","0.002","73.62","0.002","87.248","0.002","1765.02","0.11","273","2","273.15","","","","","","","","","4","P -1","-P 1","2","","","","- C46 H36 N2 O4 -","- C46 H36 N2 O4 -","- C92 H72 N4 O8 -","2","1","","Zhang, Yajuan; Chai, Fuxiang; Hu, Qiong; Chang, Meng; Qiang, Ruihua; Hu, Yimin","Three-component tandem benzyl-C(sp<sup>3</sup>)-H functionalization <i>via</i> thermally generated arynes with phenazine.","Organic & biomolecular chemistry","2026","24","6","1231","1236","10.1039/d5ob01818h","","x-ray","1.54178","CuKα","","0.0704","0.0606","","","0.1753","0.1861","","","","","","1.1","","","","has coordinates","304801","2026-03-05","00:24:59",""
"7161024","12.7014","0.0009","12.8424","0.0008","14.1011","0.001","106.295","0.002","108.766","0.002","92.511","0.002","2067.5","0.2","273","2","273.15","","","","","","","","","4","P -1","-P 1","2","","","","- C50 H44 N2 O4 -","- C50 H44 N2 O4 -","- C100 H88 N4 O8 -","2","1","","Zhang, Yajuan; Chai, Fuxiang; Hu, Qiong; Chang, Meng; Qiang, Ruihua; Hu, Yimin","Three-component tandem benzyl-C(sp<sup>3</sup>)-H functionalization <i>via</i> thermally generated arynes with phenazine.","Organic & biomolecular chemistry","2026","24","6","1231","1236","10.1039/d5ob01818h","","x-ray","0.71073","MoKα","","0.1195","0.0696","","","0.1884","0.2374","","","","","","1.012","","","","has coordinates","304801","2026-03-05","00:25:05",""
"7161025","15.3348","0.0009","15.7859","0.0009","16.1062","0.0009","61.643","0.002","82.789","0.003","74.741","0.004","3310.1","0.3","273","2","273.15","","","","","","","","","4","P -1","-P 1","2","","","","- C75 H66 N2 O9 -","- C75 H66 N2 O9 -","- C150 H132 N4 O18 -","2","1","","Zhang, Yajuan; Chai, Fuxiang; Hu, Qiong; Chang, Meng; Qiang, Ruihua; Hu, Yimin","Three-component tandem benzyl-C(sp<sup>3</sup>)-H functionalization <i>via</i> thermally generated arynes with phenazine.","Organic & biomolecular chemistry","2026","24","6","1231","1236","10.1039/d5ob01818h","","x-ray","1.54178","CuKα","","0.1429","0.1002","","","0.294","0.3417","","","","","","1.102","","","","has coordinates,has disorder","304801","2026-03-05","00:25:08",""
"7161026","11.8312","0.0003","13.2147","0.0003","15.2145","0.0004","76.822","0.002","73.368","0.002","73.606","0.002","2158.32","0.1","273.15","","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C55 H43 F2 N2 O4 -","- C46 H34 F2 N2 O4 -","- C92 H68 F4 N4 O8 -","2","1","","Zhang, Yajuan; Chai, Fuxiang; Hu, Qiong; Chang, Meng; Qiang, Ruihua; Hu, Yimin","Three-component tandem benzyl-C(sp<sup>3</sup>)-H functionalization <i>via</i> thermally generated arynes with phenazine.","Organic & biomolecular chemistry","2026","24","6","1231","1236","10.1039/d5ob01818h","","","1.54178","CuKα","","0.0897","0.0592","","","0.1736","0.2001","","","","","","1.006","","","","has coordinates","304801","2026-03-05","00:25:14",""
"7161027","10.348","0.0002","13.4185","0.0003","15.4355","0.0003","112.66","0.001","105.061","0.001","98.329","0.001","1836.32","0.07","273","2","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C46 H35 Cl N2 O4 -","- C46 H35 Cl N2 O4 -","- C92 H70 Cl2 N4 O8 -","2","1","","Zhang, Yajuan; Chai, Fuxiang; Hu, Qiong; Chang, Meng; Qiang, Ruihua; Hu, Yimin","Three-component tandem benzyl-C(sp<sup>3</sup>)-H functionalization <i>via</i> thermally generated arynes with phenazine.","Organic & biomolecular chemistry","2026","24","6","1231","1236","10.1039/d5ob01818h","","x-ray","1.54178","CuKα","","0.0745","0.0628","","","0.1789","0.1908","","","","","","1.114","","","","has coordinates","304801","2026-03-05","00:25:14",""
"7161028","12.2666","0.0003","12.896","0.0003","27.5494","0.0006","83.939","0.001","88.414","0.001","74.448","0.001","4175.01","0.17","273","2","273.15","","","","","","","","","4","P -1","-P 1","2","","","","- C102 H92 N4 O8 -","- C102 H92 N4 O8 -","- C204 H184 N8 O16 -","2","1","","Zhang, Yajuan; Chai, Fuxiang; Hu, Qiong; Chang, Meng; Qiang, Ruihua; Hu, Yimin","Three-component tandem benzyl-C(sp<sup>3</sup>)-H functionalization <i>via</i> thermally generated arynes with phenazine.","Organic & biomolecular chemistry","2026","24","6","1231","1236","10.1039/d5ob01818h","","x-ray","1.54178","CuKα","","0.074","0.0521","","","0.1439","0.1592","","","","","","1.05","","","","has coordinates,has disorder","304801","2026-03-05","00:25:14",""
"7161029","8.6001","0.0007","10.2098","0.001","21.2354","0.0016","97.638","0.006","98.178","0.006","92.959","0.006","1824.5","0.3","273.15","","273.15","","","","","","","","","4","P -1","-P 1","2","","","","- C44 H38 N2 O5 -","- C44 H38 N2 O5 -","- C88 H76 N4 O10 -","2","1","","Zhang, Yajuan; Chai, Fuxiang; Hu, Qiong; Chang, Meng; Qiang, Ruihua; Hu, Yimin","Three-component tandem benzyl-C(sp<sup>3</sup>)-H functionalization <i>via</i> thermally generated arynes with phenazine.","Organic & biomolecular chemistry","2026","24","6","1231","1236","10.1039/d5ob01818h","","x-ray","1.54178","CuKα","","0.2303","0.1427","","","0.3905","0.47","","","","","","1.19","","","","has coordinates,has disorder","304801","2026-03-05","00:25:14",""
"7161030","12.451","0.0003","13.08","0.0003","27.5697","0.0006","84.772","0.001","88.01","0.001","73.962","0.001","4297.05","0.17","273","2","273.15","","","","","","","","","4","P -1","-P 1","2","","","","- C104 H96 N4 O8 -","- C104 H96 N4 O8 -","- C208 H192 N8 O16 -","2","1","","Zhang, Yajuan; Chai, Fuxiang; Hu, Qiong; Chang, Meng; Qiang, Ruihua; Hu, Yimin","Three-component tandem benzyl-C(sp<sup>3</sup>)-H functionalization <i>via</i> thermally generated arynes with phenazine.","Organic & biomolecular chemistry","2026","24","6","1231","1236","10.1039/d5ob01818h","","x-ray","1.54178","CuKα","","0.0798","0.0555","","","0.1529","0.1683","","","","","","1.065","","","","has coordinates,has disorder","304801","2026-03-05","00:25:14",""
"7161031","12.6572","0.0016","20.628","0.002","29.589","0.004","90","","90","","90","","7725.5","1.6","273.15","","273.15","","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C49 H41 N2 O4 -","- C49 H42 N2 O4 -","- C392 H336 N16 O32 -","8","1","","Zhang, Yajuan; Chai, Fuxiang; Hu, Qiong; Chang, Meng; Qiang, Ruihua; Hu, Yimin","Three-component tandem benzyl-C(sp<sup>3</sup>)-H functionalization <i>via</i> thermally generated arynes with phenazine.","Organic & biomolecular chemistry","2026","24","6","1231","1236","10.1039/d5ob01818h","","","1.54178","CuKα","","0.1064","0.0956","","","0.2651","0.2765","","","","","","1.1","","","","has coordinates,has disorder","304801","2026-03-05","00:25:14",""
"7161032","12.13","0.011","13.625","0.012","16.09","0.015","69.226","0.013","86.778","0.014","82.048","0.012","2462","4","150","2","150","","","","","","","","","6","P -1","-P 1","2","","","","- C92 H64 Cl4 F10 N6 O2 -","- C90 H60 F10 N6 O2 -","- C90 H60 F10 N6 O2 -","1","0.5","","Tripathi, Neha; Ravikanth, Mangalampalli","Impact of phenothiazine-to-phenoxazine replacement in hexaphyrin frameworks on structural, spectroscopic, and redox properties.","Organic & biomolecular chemistry","2026","24","3","697","707","10.1039/d5ob01774b","","","0.71073","MoKα","","0.2243","0.1075","","","0.2523","0.3451","","","","","","0.955","","","","has coordinates","304802","2026-03-05","00:27:03",""
"7161033","22.405","0.0014","6.2059","0.0003","20.163","0.001","90","","107.087","0.006","90","","2679.8","0.3","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C28 H42 N6 O2 -","- C28 H42 N6 O2 -","- C112 H168 N24 O8 -","4","1","","Mishra, Soumya; Giri, Monalisa; Mishra, Vipin Kumar; Guchhait, Tapas","New core-expanded calix[4]pyrroles and N-donor-extended dipyrromethanes: syntheses, anion binding and conformational studies.","Organic & biomolecular chemistry","2026","24","3","708","719","10.1039/d5ob01716e","","x-ray","0.71073","MoKα","","0.0438","0.04","","","0.0977","0.1003","","","","","","1.037","","","","has coordinates","304803","2026-03-05","00:28:21",""
"7161034","13.2618","0.0005","14.0663","0.0004","10.55","0.0004","90","","109.023","0.004","90","","1860.56","0.12","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Benzoate complex","","- C42 H50 N6 O4 -","- C42 H50 N6 O4 -","- C84 H100 N12 O8 -","2","0.5","","Mishra, Soumya; Giri, Monalisa; Mishra, Vipin Kumar; Guchhait, Tapas","New core-expanded calix[4]pyrroles and N-donor-extended dipyrromethanes: syntheses, anion binding and conformational studies.","Organic & biomolecular chemistry","2026","24","3","708","719","10.1039/d5ob01716e","","x-ray","0.71073","MoKα","","0.0911","0.0573","","","0.1304","0.144","","","","","","1.031","","","","has coordinates","304803","2026-03-05","00:28:22",""
"7161035","30.3406","0.0009","10.6824","0.0003","21.556","0.0006","90","","90","","90","","6986.5","0.3","100","","100","","","","","","","","","4","P c c a","-P 2a 2ac","54","","Azacalix dipyrromethane","","- C38 H42 N8 O5 -","- C38 H42 N8 O5 -","- C304 H336 N64 O40 -","8","1","","Mishra, Soumya; Giri, Monalisa; Mishra, Vipin Kumar; Guchhait, Tapas","New core-expanded calix[4]pyrroles and N-donor-extended dipyrromethanes: syntheses, anion binding and conformational studies.","Organic & biomolecular chemistry","2026","24","3","708","719","10.1039/d5ob01716e","","","0.71073","MoKα","","0.0584","0.0426","","","0.1031","0.1115","","","","","","1.033","","","","has coordinates","304803","2026-03-05","00:28:22",""
"7161036","27.435","0.006","11.819","0.002","23.602","0.004","90","","92.612","0.006","90","","7645","2","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Hexafluorosilicate complex","","- C38 H44 F6 N6 Si -","- C38 H44 F6 N6 Si -","- C304 H352 F48 N48 Si8 -","8","1","","Mishra, Soumya; Giri, Monalisa; Mishra, Vipin Kumar; Guchhait, Tapas","New core-expanded calix[4]pyrroles and N-donor-extended dipyrromethanes: syntheses, anion binding and conformational studies.","Organic & biomolecular chemistry","2026","24","3","708","719","10.1039/d5ob01716e","","x-ray","0.71073","MoKα","","0.0963","0.0471","","","0.1073","0.1346","","","","","","1.026","","","","has coordinates,has disorder","304803","2026-03-05","00:28:22",""
"7161037","9.7029","0.0004","9.0406","0.0004","16.0497","0.0007","90","","102.413","0.007","90","","1374.97","0.11","263","","263","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(Z)-5-Benzylidene-2,3-dihydrobenzo[b]thiepin-4(5H)-one","","- C17 H14 O S -","- C17 H14 O S -","- C68 H56 O4 S4 -","4","1","","Iwanami, Yuto; Tsubouchi, Akira; Noguchi, Keiichi; Saito, Akio","TfOH-catalyzed cyclization/rearrangement of alkynyl aryl sulfoxides for metal-free synthesis of six- to nine-membered sulfur-containing heterocycles.","Organic & biomolecular chemistry","2026","24","3","630","635","10.1039/d5ob01829c","","","1.5418","CuKα","","0.0494","0.0482","","","0.122","0.1231","","","","","","1.163","","","","has coordinates","304804","2026-03-05","00:28:58",""
"7161038","18.4398","0.0002","8.1065","0.0001","12.0981","0.0001","90","","92.595","0.001","90","","1806.6","0.03","100","0.14","100","0.14","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 N O2 S2 -","- C22 H19 N O2 S2 -","- C88 H76 N4 O8 S8 -","4","1","","Khmelevskaya, Ekaterina A.; Danilkina, Natalia A.; Silonov, Sergey A.; Tretyakov, Evgeny V.; Khlebnikov, Alexander F.; Melnikov, Vladimir E.; Nikitina, Anastasiia V.; Rumyantsev, Andrey M.; Kryukova, Mariya A.; Balova, Irina A.","Synthesis and biological study of benzothiophene-fused azaenediyne hybrids as potential anticancer agents.","Organic & biomolecular chemistry","2026","24","3","617","629","10.1039/d5ob01600b","","x-ray","1.54184","CuKα","","0.0378","0.0353","","","0.095","0.0973","","","","","","1.059","","","","has coordinates","304805","2026-03-05","00:29:19",""
"7161039","15.9606","0.0011","10.2207","0.001","18.468","0.0013","90","","93.322","0.007","90","","3007.6","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H29 N3 O5 S2 -","- C31 H29 N3 O5 S2 -","- C124 H116 N12 O20 S8 -","4","1","","Pan, Xinyu; Abdulla, Yusuf; Bao, Ming; Xu, Xinfang","Gold-catalyzed amination of <i>in situ</i> formed alkyl gold species with <i>p</i>-quinonediimines as a N source.","Organic & biomolecular chemistry","2026","24","3","670","674","10.1039/d5ob01823d","","x-ray","1.54184","CuKα","","0.1689","0.089","","","0.247","0.3396","","","","","","0.984","","","","has coordinates","304806","2026-03-05","00:29:46",""
"7161040","7.0284","0.0014","11.127","0.002","16.994","0.004","88.08","0.006","84.49","0.006","90.002","0.007","1322.1","0.5","153","","153","","","","","","","","","4","P -1","-P 1","2","","","","- C28 H36 N4 O6 -","- C28 H36 N4 O6 -","- C56 H72 N8 O12 -","2","1","","Yamaguchi, Ayumi; Katayama, Nobuki; Tabaru, Kazuki; Fujihara, Tetsuaki; Obora, Yasushi","Synthesis of morpholine derivatives from 1,3-dienes and <i>N</i>-arylaminoalcohols by palladium-catalyzed sequential C-N and C-O bond formation.","Organic & biomolecular chemistry","2026","24","3","592","596","10.1039/d5ob01744k","","","0.71075","MoKα","","0.058","0.0357","","","0.078","0.0841","","","","","","0.895","","","","has coordinates","304807","2026-03-05","00:30:17",""
"7161041","16.744","0.002","5.1551","0.0007","25.863","0.004","90","","95.926","0.004","90","","2220.5","0.5","223","2","223","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C20 H33 N O5 -","- C20 H33 N O5 -","- C80 H132 N4 O20 -","4","1","","Kim, Jiyool; Kang, Jueun; Han, Yongseong; Sim, Jinchan; Park, Young-Tae; Kim, Young-Joo; Kwon, Jaeyoung; Cho, Ja Young; Kim, Taejung","Synthesis-enabled conformational assignment of natural <i>N</i>-acyl L-phenylalanine derivatives from freshwater sponge-associated <i>Micromonospora</i> sp. MS-62.","Organic & biomolecular chemistry","2026","24","3","597","600","10.1039/d5ob01886b","","","0.71073","MoKα","","0.1796","0.086","","","0.234","0.3008","","","","","","1.027","","","","has coordinates","304808","2026-03-05","00:30:41",""
"7161042","11.3234","0.0018","15.735","0.003","7.5713","0.0013","90","","98.695","0.005","90","","1333.5","0.4","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H10 Cl N O4 -","- C16 H10 Cl N O4 -","- C64 H40 Cl4 N4 O16 -","4","1","","Rudik, Daniil I.; Smirnov, Alexander Yu; Bogdanova, Yulia A.; Mikhaylov, Andrey A.; Romanenko, Alexander R.; Korlyukov, Alexander A.; Nikolaev, Maxim; Baranov, Mikhail S.; Ivanov, Dmitrii S.","A photochemical HAT approach to synthesize <i>N</i>-substituted benzoxazin-4-ones and their activity as AMPA receptor modulators.","Organic & biomolecular chemistry","2026","24","3","651","658","10.1039/d5ob01699a","","","0.71073","MoKα","","0.0862","0.0562","","","0.1387","0.1548","","","","","","1.027","","","","has coordinates","304809","2026-03-05","00:31:19",""
"7161043","8.1934","0.0009","7.7898","0.0008","23.076","0.002","90","","96.82","0.003","90","","1462.4","0.3","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H10 F3 N O4 -","- C17 H10 F3 N O4 -","- C68 H40 F12 N4 O16 -","4","1","","Rudik, Daniil I.; Smirnov, Alexander Yu; Bogdanova, Yulia A.; Mikhaylov, Andrey A.; Romanenko, Alexander R.; Korlyukov, Alexander A.; Nikolaev, Maxim; Baranov, Mikhail S.; Ivanov, Dmitrii S.","A photochemical HAT approach to synthesize <i>N</i>-substituted benzoxazin-4-ones and their activity as AMPA receptor modulators.","Organic & biomolecular chemistry","2026","24","3","651","658","10.1039/d5ob01699a","","","0.71073","MoKα","","0.0465","0.0346","","","0.0929","0.096","","","","","","1.097","","","","has coordinates","304809","2026-03-05","00:31:19",""
"7161044","8.7343","0.0005","9.8964","0.0006","13.1346","0.001","111.079","0.007","94.791","0.006","102.413","0.005","1018.36","0.13","150.05","0.1","150.05","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C23 H20 B Cl N2 O2 -","- C23 H20 B Cl N2 O2 -","- C46 H40 B2 Cl2 N4 O4 -","2","1","","Schepper, Jonas D. W.; Orthaber, Andreas; Pammer, Frank","Dynamic N→B coordination and anion-selective turn-on fluorescence in oxadiazole-functionalized organoboranes.","Organic & biomolecular chemistry","2026","24","13","2683","2695","10.1039/d5ob01979f","","x-ray","1.54184","CuKα","","0.0676","0.0527","","","0.1448","0.1572","","","","","","1.036","","","","has coordinates","305432","2026-04-05","12:25:23",""
"7161045","13.5714","0.0002","10.65747","0.00017","21.9263","0.0004","90","","104.856","0.0017","90","","3065.34","0.09","300","3","300","3","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H35 B N2 O -","- C38 H35 B N2 O -","- C152 H140 B4 N8 O4 -","4","1","","Schepper, Jonas D. W.; Orthaber, Andreas; Pammer, Frank","Dynamic N→B coordination and anion-selective turn-on fluorescence in oxadiazole-functionalized organoboranes.","Organic & biomolecular chemistry","2026","24","13","2683","2695","10.1039/d5ob01979f","","x-ray","1.54184","CuKα","","0.0556","0.0473","","","0.1303","0.142","","","","","","1.039","","","","has coordinates","305432","2026-04-05","12:25:23",""
"7161046","9.9216","0.0005","11.06","0.0006","13.9944","0.0005","102.348","0.004","104.003","0.004","110.321","0.005","1320.28","0.13","150","0.14","150","0.14","","","","","","","","6","P -1","-P 1","2","","","","- C32 H30 B Cl N2 O -","- C32 H30 B Cl N2 O -","- C64 H60 B2 Cl2 N4 O2 -","2","1","","Schepper, Jonas D. W.; Orthaber, Andreas; Pammer, Frank","Dynamic N→B coordination and anion-selective turn-on fluorescence in oxadiazole-functionalized organoboranes.","Organic & biomolecular chemistry","2026","24","13","2683","2695","10.1039/d5ob01979f","","x-ray","1.54184","CuKα","","0.0516","0.0443","","","0.1169","0.125","","","","","","1.05","","","","has coordinates","305432","2026-04-05","12:25:23",""
"7161047","9.7571","0.0005","11.17","0.0007","14.0701","0.0009","99.257","0.005","101.748","0.005","108.129","0.005","1384.76","0.16","301.9","0.6","301.9","0.6","","","","","","","","5","P -1","-P 1","2","","","","- C33 H33 B N2 O -","- C33 H33 B N2 O -","- C66 H66 B2 N4 O2 -","2","1","","Schepper, Jonas D. W.; Orthaber, Andreas; Pammer, Frank","Dynamic N→B coordination and anion-selective turn-on fluorescence in oxadiazole-functionalized organoboranes.","Organic & biomolecular chemistry","2026","24","13","2683","2695","10.1039/d5ob01979f","","x-ray","1.54184","CuKα","","0.0656","0.0514","","","0.131","0.1453","","","","","","1.048","","","","has coordinates","305432","2026-04-05","12:25:23",""
"7161048","8.7084","0.0003","32.0567","0.0013","10.0958","0.0003","90","","90","","90","","2818.37","0.17","302.9","0.9","302.9","0.9","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C33 H33 B N2 O2 -","- C33 H33 B N2 O2 -","- C132 H132 B4 N8 O8 -","4","1","","Schepper, Jonas D. W.; Orthaber, Andreas; Pammer, Frank","Dynamic N→B coordination and anion-selective turn-on fluorescence in oxadiazole-functionalized organoboranes.","Organic & biomolecular chemistry","2026","24","13","2683","2695","10.1039/d5ob01979f","","x-ray","1.54184","CuKα","","0.0645","0.0519","","","0.1226","0.1345","","","","","","1.076","","","","has coordinates","305432","2026-04-05","12:25:23",""
"7161049","7.6307","0.0001","15.0624","0.0002","18.5993","0.0003","90","","90","","90","","2137.74","0.05","122","20","122","20","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H22 N2 O5 S -","- C24 H22 N2 O5 S -","- C96 H88 N8 O20 S4 -","4","1","","Martin, Aoife; Kennedy, Lisa; Solanki, Ishita; Fleming, Patricia; Bruno, Julia; Evans, Paul; Haarr, Marianne Bore; O'Reilly, Elaine","Transaminase-triggered synthesis of 2,5-disubstituted pyrrolidines.","Organic & biomolecular chemistry","2026","24","12","2435","2438","10.1039/d6ob00264a","","x-ray","1.54184","CuKα","","0.0414","0.0352","","","0.0867","0.091","","","","","","1.047","","","","has coordinates","305444","2026-04-05","12:26:26",""
"7161050","8.8557","0.0004","13.0872","0.0005","13.2877","0.0006","80.525","0.002","71.175","0.002","76.443","0.002","1410.36","0.11","170","","170","","","","","","","","","4","P -1","-P 1","2","","","","- C17 H14 O3 S -","- C17 H14 O3 S -","- C68 H56 O12 S4 -","4","2","","Hu, Wanqi; Chen, Xingyu; Wu, Xiaowei","Access to S,C-sulfonium ylides from iodonium ylides <i>via</i> iron catalysis.","Organic & biomolecular chemistry","2026","24","12","2423","2427","10.1039/d6ob00230g","","","0.71073","MoKα","","0.1057","0.0687","","","0.1675","0.1955","","","","","","1.043","","","","has coordinates,has disorder","305443","2026-04-05","12:26:23",""
"7161051","9.6461","0.0003","11.628","0.0004","16.8233","0.0006","103.762","0.001","94.447","0.001","111.66","0.001","1674.58","0.1","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H12 O3 S2 -","- C21 H12 O3 S2 -","- C84 H48 O12 S8 -","4","2","","Hu, Wanqi; Chen, Xingyu; Wu, Xiaowei","Access to S,C-sulfonium ylides from iodonium ylides <i>via</i> iron catalysis.","Organic & biomolecular chemistry","2026","24","12","2423","2427","10.1039/d6ob00230g","","","1.54178","CuKα","","0.0685","0.0672","","","0.1676","0.1683","","","","","","1.112","","","","has coordinates,has disorder","305443","2026-04-05","12:26:23",""
"7161052","9.5836","0.0006","11.8565","0.0008","24.7268","0.0018","90","","90","","90","","2809.7","0.3","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-((R)-2-(tert-butylamino)-1-((S)-2,2-dimethyl-1,3-dioxolan-4-yl)-2-oxoethyl)-N-((1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl)-1H-imidazole-4-carboxamide","","- C28 H40 N4 O6 -","- C28 H40 N4 O6 -","- C112 H160 N16 O24 -","4","1","","Ghosh, Arun K.; Bhattacharjee, Amlan; Jayashankar, Uttara; Bogan, Sydney N.; Mesecar, Andrew D.","Ugi multicomponent reactions of optically active aldehydes and chiral aminoindanols: diastereoselective synthesis of bisamides relevant to SARS-CoV-2 Mpro inhibitors.","Organic & biomolecular chemistry","2026","24","12","2542","2558","10.1039/d5ob01897h","","","1.54178","CuKα","","0.033","0.0314","","","0.0818","0.0827","","","","","","1.052","","","","has coordinates,has disorder","305445","2026-04-05","12:26:35",""
"7161053","9.6747","0.0005","10.7211","0.0004","15.9751","0.0006","90","","92.949","0.003","90","","1654.8","0.12","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H41 N5 O6 -","- C32 H41 N5 O6 -","- C64 H82 N10 O12 -","2","1","","Ghosh, Arun K.; Bhattacharjee, Amlan; Jayashankar, Uttara; Bogan, Sydney N.; Mesecar, Andrew D.","Ugi multicomponent reactions of optically active aldehydes and chiral aminoindanols: diastereoselective synthesis of bisamides relevant to SARS-CoV-2 Mpro inhibitors.","Organic & biomolecular chemistry","2026","24","12","2542","2558","10.1039/d5ob01897h","","","1.54178","CuKα","","0.0722","0.0463","","","0.101","0.1176","","","","","","1.059","","","","has coordinates,has disorder","305445","2026-04-05","12:26:35",""
"7161054","9.683","0.0006","16.9749","0.0011","18.0741","0.0011","90","","90","","90","","2970.8","0.3","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","N-((2R,3R)-1-(tert-butylamino)-3-((tert-butyldimethylsilyl)oxy)-1-oxobutan-2- yl)-N-((1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl)-1H-imidazole-4-carboxamide","","- C27 H42 N4 O4 Si -","- C27 H42 N4 O4 Si -","- C108 H168 N16 O16 Si4 -","4","1","","Ghosh, Arun K.; Bhattacharjee, Amlan; Jayashankar, Uttara; Bogan, Sydney N.; Mesecar, Andrew D.","Ugi multicomponent reactions of optically active aldehydes and chiral aminoindanols: diastereoselective synthesis of bisamides relevant to SARS-CoV-2 Mpro inhibitors.","Organic & biomolecular chemistry","2026","24","12","2542","2558","10.1039/d5ob01897h","","","1.54178","CuKα","","0.0872","0.0541","","","0.1167","0.1335","","","","","","1.022","","","","has coordinates","305445","2026-04-05","12:26:35",""
"7161055","12.2321","0.0005","42.5089","0.0016","10.0604","0.0004","90","","90","","90","","5231.1","0.4","150","2","150","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","(1S,2R)-1-(((S)-2-(tert-butylamino)-1-((S)-2,2-dimethyl-1,3-dioxolan-4-yl)- 2-oxoethyl)amino)-2,3-dihydro-1H-inden-2-yl 1H-imidazole-4-carboxylate","","- C101 H140 N16 O20 -","- C101 H140 N16 O20 -","- C202 H280 N32 O40 -","2","0.5","","Ghosh, Arun K.; Bhattacharjee, Amlan; Jayashankar, Uttara; Bogan, Sydney N.; Mesecar, Andrew D.","Ugi multicomponent reactions of optically active aldehydes and chiral aminoindanols: diastereoselective synthesis of bisamides relevant to SARS-CoV-2 Mpro inhibitors.","Organic & biomolecular chemistry","2026","24","12","2542","2558","10.1039/d5ob01897h","","","1.54178","CuKα","","0.0316","0.03","","","0.079","0.0804","","","","","","1.035","","","","has coordinates,has disorder","305445","2026-04-05","12:26:35",""
"7161056","13.844","0.0006","11.6532","0.0005","12.5453","0.0006","90","","99.307","0.003","90","","1997.25","0.16","173","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","11-Benzyl-3-(4-chlorophenyl)-5,6-dihydroindolizino[8,7-b]indole","","- C27 H21 Cl N2 -","- C27 H21 Cl N2 -","- C108 H84 Cl4 N8 -","4","1","","Chen, Kairong; Yang, Miao; Chen, Shuang; Gong, Yanchuan; Xu, Junnan; Ye, Meixiang; Zhang, Jie; Guo, Liang","Base-promoted intermolecular cyclization of substituted 3-aryl-3-chloropropenals with tetrahydro-β-carboline: a method for the synthesis of indolizino[8,7-<i>b</i>]indole compounds.","Organic & biomolecular chemistry","2026","24","13","2655","2659","10.1039/d6ob00015k","","","1.54178","CuKα","","0.0634","0.0505","","","0.1299","0.1381","","","","","","1.081","","","","has coordinates","305435","2026-04-05","12:25:39",""
"7161057","14.6398","0.0013","9.834","0.0009","27.715","0.003","90","","90","","90","","3990.1","0.7","173","","298","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","11-(4-Fluorobenzyl)-3-(4-fluorophenyl)-5,6-dihydroindolizino[8,7-b]indole","","- C27 H20 F2 N2 -","- C27 H20 F2 N2 -","- C216 H160 F16 N16 -","8","1","","Chen, Kairong; Yang, Miao; Chen, Shuang; Gong, Yanchuan; Xu, Junnan; Ye, Meixiang; Zhang, Jie; Guo, Liang","Base-promoted intermolecular cyclization of substituted 3-aryl-3-chloropropenals with tetrahydro-β-carboline: a method for the synthesis of indolizino[8,7-<i>b</i>]indole compounds.","Organic & biomolecular chemistry","2026","24","13","2655","2659","10.1039/d6ob00015k","","","1.54178","CuKα","","0.1182","0.075","","","0.1697","0.194","","","","","","1.057","","","","has coordinates","305435","2026-04-05","12:25:39",""
"7161058","10.027","0.014","11.291","0.016","11.805","0.016","90","","109.228","0.017","90","","1262","3","298.15","","298.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H11 Br N2 O -","- C14 H11 Br N2 O -","- C56 H44 Br4 N8 O4 -","4","1","","Liu, Zhen-Ang; Guan, Xiao; Su, Xiao-Wen; Dong, Yu-Tong; Wang, Huai-Wei","Rh<sup>III</sup>-catalyzed C-H heteroarylation and C-N cleavage: direct access to C2-heteroarylated (NH)-indoles.","Organic & biomolecular chemistry","2026","24","14","2951","2962","10.1039/d6ob00059b","","","0.71073","MoKα","","0.0929","0.0523","","","0.1301","0.1482","","","","","","0.821","","","","has coordinates","305848","2026-05-05","09:31:46",""
"7161059","12.7597","0.0005","6.7156","0.0002","17.4401","0.0006","90","","95.498","0.001","90","","1487.55","0.09","104","2","104","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H13 N O5 -","- C19 H13 N O5 -","- C76 H52 N4 O20 -","4","1","","Budhwan, Rajnish; Dahiya, Pooja; Singh, Nikunj; Chauhan, Shivom; Peddinti, Rama Krishna","Koser's reagent-promoted synthesis of substituted isoxazoles and their photophysical properties.","Organic & biomolecular chemistry","2026","24","13","2742","2751","10.1039/d5ob02000j","","","0.71073","MoKα","","0.0359","0.0333","","","0.0911","0.0934","","","","","","1.048","","","","has coordinates","305430","2026-04-05","12:25:11",""
"7161060","6.684","0.003","13.176","0.006","19.701","0.009","90","","90","","90","","1735","1.4","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H15 N O4 -","- C24 H15 N O4 -","- C96 H60 N4 O16 -","4","1","","Budhwan, Rajnish; Dahiya, Pooja; Singh, Nikunj; Chauhan, Shivom; Peddinti, Rama Krishna","Koser's reagent-promoted synthesis of substituted isoxazoles and their photophysical properties.","Organic & biomolecular chemistry","2026","24","13","2742","2751","10.1039/d5ob02000j","","","0.71073","MoKα","","0.0534","0.0454","","","0.1026","0.1101","","","","","","1.081","","","","has coordinates","305430","2026-04-05","12:25:11",""
"7161061","12.0197","0.0005","17.7856","0.0008","12.4927","0.0006","90","","152.949","0.001","90","","1214.57","0.1","108","","108","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 N O -","- C16 H13 N O -","- C64 H52 N4 O4 -","4","1","","Budhwan, Rajnish; Dahiya, Pooja; Singh, Nikunj; Chauhan, Shivom; Peddinti, Rama Krishna","Koser's reagent-promoted synthesis of substituted isoxazoles and their photophysical properties.","Organic & biomolecular chemistry","2026","24","13","2742","2751","10.1039/d5ob02000j","","","0.71073","MoKα","","0.0429","0.0405","","","0.0978","0.1","","","","","","1.048","","","","has coordinates","305430","2026-04-05","12:25:11",""
"7161062","9.3276","0.0012","12.7751","0.0017","29.524","0.004","90","","90","","90","","3518.1","0.8","120","","120","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C39 H36 Br N3 O5 -","- C39 H36 Br N3 O5 -","- C156 H144 Br4 N12 O20 -","4","1","","Zhou, Zhenghua; Xu, Yongqiang; Li, Wenkai; Qu, Jingping; Zhou, Yuhan; Wang, Baomin","Organocatalytic regio- and stereoselective synthesis of chiral tetrasubstituted α-amino allenoates by γ-addition of β,γ-alkynyl-α-imino esters with pyrazolones.","Organic & biomolecular chemistry","2026","24","14","2888","2892","10.1039/d6ob00191b","","","0.71073","MoKα","","0.0554","0.0383","","","0.0677","0.0753","","","","","","1.069","","","","has coordinates","305851","2026-05-05","09:32:09",""
"7161063","7.547","0.0004","11.1144","0.0007","16.8902","0.001","71.305","0.003","87.165","0.002","73.744","0.002","1287.09","0.13","303.1","","303.1","","","","","","","","","4","P -1","-P 1","2","","","","- C25 H26 N2 O11 -","- C25 H26 N2 O11 -","- C50 H52 N4 O22 -","2","1","","Wang, Shengxin; Zhang, Yanhua; Wang, Chao; Zong, Lili","Diastereoselective oxidative cyclization of 1,4-dienes for the synthesis of oxetanes.","Organic & biomolecular chemistry","2026","24","13","2660","2664","10.1039/d6ob00220j","","","1.54178","CuKα","","0.1201","0.0958","","","0.2923","0.3188","","","","","","1.171","","","","has coordinates","305429","2026-04-05","12:25:07",""
"7161064","5.7599","0.0003","9.4957","0.0005","25.7505","0.0013","90","","90","","90","","1408.41","0.13","299","","299","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 F10 Se2 -","- C12 F10 Se2 -","- C48 F40 Se8 -","4","1","","Shi, Haoliang; Qu, Huorong; Wang, Xinyan; Wei, Jinlian; Wu, Shanchao; Zhang, Yongqiang","PyfSeTs as a novel and photosensitive reagent for green light-induced arene C-H selenenylation: a versatile strategy for the synthesis of aryl selenides.","Organic & biomolecular chemistry","2026","24","14","2923","2931","10.1039/d6ob00102e","","x-ray","1.54178","CuKα","","0.0292","0.0288","","","0.0692","0.0695","","","","","","1.116","","","","has coordinates","305849","2026-05-05","09:32:03",""
"7161065","9.8337","0.0004","11.1932","0.0005","24.2439","0.0012","90","","96.043","0.003","90","","2653.7","0.2","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 F8 N2 Se2 -","- C10 F8 N2 Se2 -","- C80 F64 N16 Se16 -","8","2","","Shi, Haoliang; Qu, Huorong; Wang, Xinyan; Wei, Jinlian; Wu, Shanchao; Zhang, Yongqiang","PyfSeTs as a novel and photosensitive reagent for green light-induced arene C-H selenenylation: a versatile strategy for the synthesis of aryl selenides.","Organic & biomolecular chemistry","2026","24","14","2923","2931","10.1039/d6ob00102e","","","1.54178","CuKα","","0.0607","0.0445","","","0.1065","0.1107","","","","","","1.036","","","","has coordinates","305849","2026-05-05","09:32:03",""
"7161066","6.5644","0.0013","8.2458","0.0016","13.659","0.003","102.402","0.005","98.371","0.006","103.685","0.005","686.4","0.2","299","","299","","","","","","","","","7","P -1","-P 1","2","","","","- C12 H7 F4 N O2 S Se -","- C12 H7 F4 N O2 S Se -","- C24 H14 F8 N2 O4 S2 Se2 -","2","1","","Shi, Haoliang; Qu, Huorong; Wang, Xinyan; Wei, Jinlian; Wu, Shanchao; Zhang, Yongqiang","PyfSeTs as a novel and photosensitive reagent for green light-induced arene C-H selenenylation: a versatile strategy for the synthesis of aryl selenides.","Organic & biomolecular chemistry","2026","24","14","2923","2931","10.1039/d6ob00102e","","x-ray","1.54178","CuKα","","0.0612","0.0607","","","0.1551","0.1558","","","","","","1.073","","","","has coordinates","305849","2026-05-05","09:32:03",""
"7161067","12.5521","0.0003","11.6842","0.0003","31.6373","0.0007","90","","90","","90","","4639.97","0.19","300","2","300","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C29 H22 Br N3 -","- C29 H22 Br N3 -","- C232 H176 Br8 N24 -","8","1","","Ajay Krishna, M. S.; Ashitha, K. T.; Bhat, Meghashyama Prabhakara; Rudrappa, Muthuraj; Athira, C. S.; Lalshikanther Basha, A. L.; Varughese, Sunil; Vankadari, Naveen; Nayaka, Sreenivasa; Somappa, Sasidhar B.","Iodine-mediated cascade amination enables one-pot access to antimicrobial indole-embedded dihydropyrazoles.","Organic & biomolecular chemistry","2026","24","13","2676","2682","10.1039/d6ob00043f","","","1.54178","CuKα","","0.0727","0.0528","","","0.1324","0.1569","","","","","","1.068","","","","has coordinates","305434","2026-04-05","12:25:31",""
"7161068","13.19","0.0006","17.5158","0.0007","9.1469","0.0004","90","","91.132","0.001","90","","2112.83","0.16","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 Br N3 O2 -","- C24 H20 Br N3 O2 -","- C96 H80 Br4 N12 O8 -","4","1","","Ferrer-Pérez, Francesc; Escolano, Marcos; Gaviña, Daniel; Díaz-Oltra, Santiago; Sanz-Marco, Amparo; Sánchez-Roselló, María; Del Pozo, Carlos","An asymmetric tandem reaction of dicyanoalkenes with conjugated sulfinyl imino esters.","Organic & biomolecular chemistry","2026","24","14","3020","3025","10.1039/d6ob00277c","","","0.71073","MoKα","","0.146","0.0857","","","0.145","0.1645","","","","","","1.089","","","","has coordinates","305852","2026-05-05","09:32:21",""
"7161069","6.5687","0.0002","13.3383","0.0004","13.7786","0.0004","61.374","0.001","86.879","0.002","86.332","0.001","1057.09","0.06","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H19 D6 N O6 S -","- C24 H19 D6 N O6 S -","- C48 H38 D12 N2 O12 S2 -","2","1","","Yakovleva, Elizaveta D.; Shelukho, Evgeniya R.; Erokhin, Pavel P.; Ilyushenkova, Valentina V.; Guryeva, Aleksandra S.; Logvinenko, Nikita A.; Khrustalev, Victor N.; Grigoriev, Mikhail S.; Zubkov, Fedor I.; Zaytsev, Vladimir P.","Application of the intramolecular Diels-Alder vinylarene (IMDAV) reaction for the synthesis of benzo- and carbocyclofuroisoindole carboxylic acids and its limitations.","Organic & biomolecular chemistry","2026","24","15","3274","3286","10.1039/d5ob01918d","","","0.71073","MoKα","","0.0439","0.0365","","","0.0968","0.1021","","","","","","1.037","","","","has coordinates","305855","2026-05-05","09:32:37",""
"7161070","9.14531","0.00017","11.43369","0.00019","21.591","0.0004","100.086","0.0015","90.707","0.0014","90.2151","0.0013","2222.55","0.07","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C23 H29 N O6 S -","- C23 H29 N O6 S -","- C92 H116 N4 O24 S4 -","4","4","","Yakovleva, Elizaveta D.; Shelukho, Evgeniya R.; Erokhin, Pavel P.; Ilyushenkova, Valentina V.; Guryeva, Aleksandra S.; Logvinenko, Nikita A.; Khrustalev, Victor N.; Grigoriev, Mikhail S.; Zubkov, Fedor I.; Zaytsev, Vladimir P.","Application of the intramolecular Diels-Alder vinylarene (IMDAV) reaction for the synthesis of benzo- and carbocyclofuroisoindole carboxylic acids and its limitations.","Organic & biomolecular chemistry","2026","24","15","3274","3286","10.1039/d5ob01918d","","","1.54184","CuKα","","0.0941","0.0914","","","0.205","0.2067","","","","","","1.011","","","","has coordinates,has disorder","305855","2026-05-05","09:32:37",""
"7161071","8.1549","0.0007","16.3136","0.0013","16.7975","0.0014","90","","92.219","0.005","90","","2233","0.3","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C24 H16 D6 F3 N O5 S -","- C24 H16 D6 F3 N O5 S -","- C96 H64 D24 F12 N4 O20 S4 -","4","2","","Yakovleva, Elizaveta D.; Shelukho, Evgeniya R.; Erokhin, Pavel P.; Ilyushenkova, Valentina V.; Guryeva, Aleksandra S.; Logvinenko, Nikita A.; Khrustalev, Victor N.; Grigoriev, Mikhail S.; Zubkov, Fedor I.; Zaytsev, Vladimir P.","Application of the intramolecular Diels-Alder vinylarene (IMDAV) reaction for the synthesis of benzo- and carbocyclofuroisoindole carboxylic acids and its limitations.","Organic & biomolecular chemistry","2026","24","15","3274","3286","10.1039/d5ob01918d","","","0.71073","MoKα","","0.0742","0.0548","","","0.1191","0.1277","","","","","","1.029","","","","has coordinates,has disorder","305855","2026-05-05","09:32:37",""
"7161072","12.3473","0.0008","8.031","0.0005","16.296","0.0011","90","","96.882","0.002","90","","1604.29","0.18","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H17 N O4 -","- C21 H17 N O4 -","- C84 H68 N4 O16 -","4","1","","Yakovleva, Elizaveta D.; Shelukho, Evgeniya R.; Erokhin, Pavel P.; Ilyushenkova, Valentina V.; Guryeva, Aleksandra S.; Logvinenko, Nikita A.; Khrustalev, Victor N.; Grigoriev, Mikhail S.; Zubkov, Fedor I.; Zaytsev, Vladimir P.","Application of the intramolecular Diels-Alder vinylarene (IMDAV) reaction for the synthesis of benzo- and carbocyclofuroisoindole carboxylic acids and its limitations.","Organic & biomolecular chemistry","2026","24","15","3274","3286","10.1039/d5ob01918d","","","0.71073","MoKα","","0.0681","0.0441","","","0.1015","0.1124","","","","","","1.028","","","","has coordinates","305855","2026-05-05","09:32:37",""
"7161073","25.1111","0.0006","8.92502","0.00012","18.265","0.0005","90","","127.4","0.004","90","","3251.9","0.2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H19 N O4 -","- C20 H19 N O4 -","- C160 H152 N8 O32 -","8","1","","Yakovleva, Elizaveta D.; Shelukho, Evgeniya R.; Erokhin, Pavel P.; Ilyushenkova, Valentina V.; Guryeva, Aleksandra S.; Logvinenko, Nikita A.; Khrustalev, Victor N.; Grigoriev, Mikhail S.; Zubkov, Fedor I.; Zaytsev, Vladimir P.","Application of the intramolecular Diels-Alder vinylarene (IMDAV) reaction for the synthesis of benzo- and carbocyclofuroisoindole carboxylic acids and its limitations.","Organic & biomolecular chemistry","2026","24","15","3274","3286","10.1039/d5ob01918d","","","1.54184","CuKα","","0.0593","0.0525","","","0.1268","0.13","","","","","","1.041","","","","has coordinates","305855","2026-05-05","09:32:37",""
"7161074","6.69436","0.00016","7.4987","0.0002","23.193","0.0006","80.904","0.002","85.135","0.002","72.729","0.002","1096.9","0.05","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H22 F3 N O5 S -","- C24 H22 F3 N O5 S -","- C48 H44 F6 N2 O10 S2 -","2","1","","Yakovleva, Elizaveta D.; Shelukho, Evgeniya R.; Erokhin, Pavel P.; Ilyushenkova, Valentina V.; Guryeva, Aleksandra S.; Logvinenko, Nikita A.; Khrustalev, Victor N.; Grigoriev, Mikhail S.; Zubkov, Fedor I.; Zaytsev, Vladimir P.","Application of the intramolecular Diels-Alder vinylarene (IMDAV) reaction for the synthesis of benzo- and carbocyclofuroisoindole carboxylic acids and its limitations.","Organic & biomolecular chemistry","2026","24","15","3274","3286","10.1039/d5ob01918d","","","1.54184","CuKα","","0.0659","0.0618","","","0.1477","0.1504","","","","","","1.037","","","","has coordinates","305855","2026-05-05","09:32:37",""
"7161075","8.9019","0.0006","13.4092","0.0009","21.1363","0.0014","90","","90","","90","","2523","0.3","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C13 H8.5 D3 F3 N0.5 O3 S0.5 -","- C13 H8.5 D3 F3 N0.5 O3 S0.5 -","- C104 H68 D24 F24 N4 O24 S4 -","8","2","","Yakovleva, Elizaveta D.; Shelukho, Evgeniya R.; Erokhin, Pavel P.; Ilyushenkova, Valentina V.; Guryeva, Aleksandra S.; Logvinenko, Nikita A.; Khrustalev, Victor N.; Grigoriev, Mikhail S.; Zubkov, Fedor I.; Zaytsev, Vladimir P.","Application of the intramolecular Diels-Alder vinylarene (IMDAV) reaction for the synthesis of benzo- and carbocyclofuroisoindole carboxylic acids and its limitations.","Organic & biomolecular chemistry","2026","24","15","3274","3286","10.1039/d5ob01918d","","","0.71073","MoKα","","0.0386","0.0315","","","0.073","0.0767","","","","","","1.022","","","","has coordinates","305855","2026-05-05","09:32:37",""
"7161076","20.9907","0.0007","42.5286","0.0015","6.939","0.0002","90","","90","","90","","6194.5","0.3","150","2","150","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","22124Z","","","- C18 H18 N4 O4 -","- C18 H18 N4 O4 -","- C288 H288 N64 O64 -","16","4","","Amundson, Journey M.; Brush, Ryan B.; Jensen, Kara M.; Funk, Baela R.; Jung, Healeam; Mamicha, Sam K.; Young, Jr, Victor G; Garcia L, Eryck; Klivansky, Liana M.; Cao, Dennis D.","Pyromellitic dihydrazides as hydrolytically stable analogs of pyromellitic diimide.","Organic & biomolecular chemistry","2026","24","13","2650","2654","10.1039/d6ob00281a","","","0.71073","MoKα","","0.088","0.0552","","","0.1319","0.1477","","","","","","1.018","","","","has coordinates","305433","2026-04-05","12:25:28",""
"7161077","16.2995","0.0009","11.1901","0.0005","17.9213","0.0009","90","","111.166","0.002","90","","3048.2","0.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","25107zz","","","- C26 H38 N4 O4 -","- C26 H38 N4 O4 -","- C104 H152 N16 O16 -","4","0.5","","Amundson, Journey M.; Brush, Ryan B.; Jensen, Kara M.; Funk, Baela R.; Jung, Healeam; Mamicha, Sam K.; Young, Jr, Victor G; Garcia L, Eryck; Klivansky, Liana M.; Cao, Dennis D.","Pyromellitic dihydrazides as hydrolytically stable analogs of pyromellitic diimide.","Organic & biomolecular chemistry","2026","24","13","2650","2654","10.1039/d6ob00281a","","","0.71073","MoKα","","0.0529","0.0451","","","0.1235","0.1303","","","","","","1.037","","","","has coordinates","305433","2026-04-05","12:25:28",""
"7161078","7.6117","0.0009","28.606","0.004","15.887","0.002","90","","95.126","0.003","90","","3445.4","0.8","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H36 N6 O6 -","- C40 H36 N6 O6 -","- C160 H144 N24 O24 -","4","1","","Amundson, Journey M.; Brush, Ryan B.; Jensen, Kara M.; Funk, Baela R.; Jung, Healeam; Mamicha, Sam K.; Young, Jr, Victor G; Garcia L, Eryck; Klivansky, Liana M.; Cao, Dennis D.","Pyromellitic dihydrazides as hydrolytically stable analogs of pyromellitic diimide.","Organic & biomolecular chemistry","2026","24","13","2650","2654","10.1039/d6ob00281a","","x-ray","0.71073","MoKα","","0.0576","0.0419","","","0.1017","0.1122","","","","","","1.035","","","","has coordinates","305433","2026-04-05","12:25:28",""
"7161079","8.725","0.002","9.713","0.002","13.679","0.003","98.871","0.009","93.284","0.009","110.537","0.008","1064.8","0.4","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H22 N6 O3 S2 -","- C21 H22 N6 O3 S2 -","- C42 H44 N12 O6 S4 -","2","1","","Singh, Nikunj; Budhwan, Rajnish; Rawat, Megha; Peddinti, Rama Krishna","Catalyst-free facile synthesis of 2-(dihydropyridyl)benzothiazoles from (benzothiazol-2-yl)acrylonitriles: green route.","Organic & biomolecular chemistry","2026","24","15","3210","3217","10.1039/d6ob00288a","","","0.71073","MoKα","","0.0344","0.0307","","","0.0841","0.0868","","","","","","1.058","","","","has coordinates","305853","2026-05-05","09:32:29",""
"7161080","8.499","0.003","15.707","0.006","18.184","0.007","90","","90","","90","","2427.5","1.6","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","RKP_NS_31_2000","","- C3.61 H3.23 N0.65 O0.26 S0.13 -","- C3.6129 H3.22581 N0.645161 O0.258065 S0.129032 -","- C112 H100 N20 O8 S4 -","31","15.5","","Singh, Nikunj; Budhwan, Rajnish; Rawat, Megha; Peddinti, Rama Krishna","Catalyst-free facile synthesis of 2-(dihydropyridyl)benzothiazoles from (benzothiazol-2-yl)acrylonitriles: green route.","Organic & biomolecular chemistry","2026","24","15","3210","3217","10.1039/d6ob00288a","","","0.71073","MoKα","","0.1372","0.0957","","","0.2258","0.2626","","","","","","0.989","","","","has coordinates","305853","2026-05-05","09:32:29",""
"7161081","9.845","0.004","11.454","0.004","12.044","0.004","94.609","0.009","110.349","0.009","108.894","0.009","1175.9","0.8","100","2","100","","","","","","","","","6","P -1","-P 1","2","","","","- C23 H22 F3 N5 O3 S2 -","- C23 H22 F3 N5 O3 S2 -","- C46 H44 F6 N10 O6 S4 -","2","1","","Singh, Nikunj; Budhwan, Rajnish; Rawat, Megha; Peddinti, Rama Krishna","Catalyst-free facile synthesis of 2-(dihydropyridyl)benzothiazoles from (benzothiazol-2-yl)acrylonitriles: green route.","Organic & biomolecular chemistry","2026","24","15","3210","3217","10.1039/d6ob00288a","","","0.71073","MoKα","","0.0517","0.0482","","","0.1331","0.1367","","","","","","1.049","","","","has coordinates","305853","2026-05-05","09:32:29",""
"7161082","5.5177","0.0002","8.2099","0.0003","17.2362","0.0008","85.431","0.002","84.675","0.002","80.469","0.001","765.05","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H18 N2 O2 S -","- C17 H18 N2 O2 S -","- C34 H36 N4 O4 S2 -","2","1","","Thete, Kishor R.; Vara, Vijay; Patel, Raj Y.; Muthukrishnan, M.","Copper-catalyzed radical 1,2-oxysulfoximination of β,γ-unsaturated oximes for the synthesis of sulfoximine-substituted isoxazolines.","Organic & biomolecular chemistry","2026","24","14","2910","2915","10.1039/d6ob00244g","","","0.71073","MoKα","","0.0442","0.0397","","","0.1013","0.1047","","","","","","1.061","","","","has coordinates","305850","2026-05-05","09:32:06",""
"7161083","10.5638","0.001","12.218","0.0011","13.9601","0.0014","79.36","0.003","79.696","0.003","89.653","0.003","1741.6","0.3","173","","173","","","","","","","","","3","P -1","-P 1","2","","4,4'-(1,2-diphenylethane-1,2-diyl)bis(2,6-di-tert-butylphenol)","","- C42 H54 O2 -","- C42 H54 O2 -","- C84 H108 O4 -","2","1","","Cui, Yan-Zhao; Li, He; Liu, Huiyi; Yuan, Hao-Qi; Zhou, Hao-Tian; Wang, Xiao-Sai; Wang, Yan-Bo","Pyridine-boryl radical-mediated reductive homocoupling of <i>para</i>-quinone methides.","Organic & biomolecular chemistry","2026","24","15","3295","3300","10.1039/d6ob00078a","","x-ray","0.71073","MoKα","","0.162","0.0811","","","0.1775","0.2187","","","","","","1.03","","","","has coordinates,has disorder","305860","2026-05-05","09:32:57",""
"7161084","22.434","0.005","15.147","0.003","18.526","0.005","90","","132.633","0.006","90","","4631.5","1.9","294","","294","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","CYZ-285","","- C21 H25 Cl2 O -","- C21 H25 Cl2 O -","- C168 H200 Cl16 O8 -","8","1","","Cui, Yan-Zhao; Li, He; Liu, Huiyi; Yuan, Hao-Qi; Zhou, Hao-Tian; Wang, Xiao-Sai; Wang, Yan-Bo","Pyridine-boryl radical-mediated reductive homocoupling of <i>para</i>-quinone methides.","Organic & biomolecular chemistry","2026","24","15","3295","3300","10.1039/d6ob00078a","","","0.71073","MoKα","","0.127","0.0877","","","0.2406","0.2672","","","","","","1.097","","","","has coordinates","305860","2026-05-05","09:32:57",""
"7161085","11.5516","0.0011","11.6796","0.0012","15.6122","0.0015","70.076","0.003","89.93","0.003","75.343","0.003","1907.5","0.3","305","","305","","","","","","","","","3","P -1","-P 1","2","","cyz-464","","- C44 H56 O2 -","- C44 H56 O2 -","- C88 H112 O4 -","2","1","","Cui, Yan-Zhao; Li, He; Liu, Huiyi; Yuan, Hao-Qi; Zhou, Hao-Tian; Wang, Xiao-Sai; Wang, Yan-Bo","Pyridine-boryl radical-mediated reductive homocoupling of <i>para</i>-quinone methides.","Organic & biomolecular chemistry","2026","24","15","3295","3300","10.1039/d6ob00078a","","","0.71073","MoKα","","0.0729","0.0486","","","0.1127","0.1277","","","","","","1.035","","","","has coordinates","305860","2026-05-05","09:32:57",""
"7161086","29.342","0.002","10.293","0.0008","11.6592","0.001","90","","90","","90","","3521.3","0.5","173","2","173","2","","","","","","","","3","P n a 21","P 2c -2n","33","","(E)-4,4'-(1,2-diphenylethene-1,2-diyl)bis(2,6-di-tert-butylphenol)","","- C42 H52 O2 -","- C42 H52 O2 -","- C168 H208 O8 -","4","1","","Cui, Yan-Zhao; Li, He; Liu, Huiyi; Yuan, Hao-Qi; Zhou, Hao-Tian; Wang, Xiao-Sai; Wang, Yan-Bo","Pyridine-boryl radical-mediated reductive homocoupling of <i>para</i>-quinone methides.","Organic & biomolecular chemistry","2026","24","15","3295","3300","10.1039/d6ob00078a","","x-ray","0.71073","MoKα","","0.1311","0.0686","","","0.1395","0.1728","","","","","","1.012","","","","has coordinates","305860","2026-05-05","09:32:57",""
"7161087","11.4985","0.0016","11.7455","0.0017","14.074","0.002","79.778","0.005","77.092","0.005","77.618","0.005","1792.8","0.4","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","4,4'-(1,2-diphenylethane-1,2-diyl)bis(2,6-di-tert-butylphenol)","","- C42 H52 O2 -","- C42 H52 O2 -","- C84 H104 O4 -","2","1","","Cui, Yan-Zhao; Li, He; Liu, Huiyi; Yuan, Hao-Qi; Zhou, Hao-Tian; Wang, Xiao-Sai; Wang, Yan-Bo","Pyridine-boryl radical-mediated reductive homocoupling of <i>para</i>-quinone methides.","Organic & biomolecular chemistry","2026","24","15","3295","3300","10.1039/d6ob00078a","","x-ray","0.71073","MoKα","","0.1389","0.0627","","","0.1384","0.1744","","","","","","1.016","","","","has coordinates","305860","2026-05-05","09:32:57",""
"7161088","25.802","0.0011","25.802","","31.0745","0.0017","90","","90","","120","","17916","1.2","219","","219","","","","","","","","","4","R -3 :H","-R 3","148","","CYZ-391","","- C34 H56 O8 P2 -","- C34 H56 O8 P2 -","- C612 H1008 O144 P36 -","18","1","","Cui, Yan-Zhao; Li, He; Liu, Huiyi; Yuan, Hao-Qi; Zhou, Hao-Tian; Wang, Xiao-Sai; Wang, Yan-Bo","Pyridine-boryl radical-mediated reductive homocoupling of <i>para</i>-quinone methides.","Organic & biomolecular chemistry","2026","24","15","3295","3300","10.1039/d6ob00078a","","","0.71073","MoKα","","0.0803","0.053","","","0.1287","0.1381","","","","","","1.06","","","","has coordinates","305860","2026-05-05","09:32:57",""
"7161089","8.3034","0.0001","11.1039","0.0001","26.7028","0.0003","90","","90","","90","","2462","0.05","293.15","","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H24 N2 O7 S -","- C27 H24 N2 O7 S -","- C108 H96 N8 O28 S4 -","4","1","","Liao, Juan; Sun, Wei; Sun, Guo-Yin; Peng, Xue-Song; Yang, Lei; You, Yong; Wang, Zhen-Hua; Zhao, Jian-Qiang; Zhou, Ming-Qiang; Yuan, Wei-Cheng","Palladium-catalyzed enantioselective decarboxylative [3 + 2] cycloaddition of 5-vinyloxazolidine-2,4-diones with sterically encumbered ketoimines toward chiral polycyclic 1,4-imidazolidinones.","Organic & biomolecular chemistry","2026","24","15","3192","3197","10.1039/d6ob00235h","","x-ray","1.54184","CuKα","","0.0292","0.0288","","","0.0826","0.083","","","","","","1.043","","","","has coordinates","305854","2026-05-05","09:32:32",""
"7161090","12.9687","0.0001","13.3866","0.0001","13.9106","0.0001","90","","90","","90","","2414.97","0.03","149.99","0.1","149.99","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H24 N2 O6 S -","- C27 H24 N2 O6 S -","- C108 H96 N8 O24 S4 -","4","1","","Liao, Juan; Sun, Wei; Sun, Guo-Yin; Peng, Xue-Song; Yang, Lei; You, Yong; Wang, Zhen-Hua; Zhao, Jian-Qiang; Zhou, Ming-Qiang; Yuan, Wei-Cheng","Palladium-catalyzed enantioselective decarboxylative [3 + 2] cycloaddition of 5-vinyloxazolidine-2,4-diones with sterically encumbered ketoimines toward chiral polycyclic 1,4-imidazolidinones.","Organic & biomolecular chemistry","2026","24","15","3192","3197","10.1039/d6ob00235h","","x-ray","1.54184","CuKα","","0.0234","0.0234","","","0.0612","0.0613","","","","","","1.054","","","","has coordinates","305854","2026-05-05","09:32:32",""
"7161091","7.4518","0.0007","10.518","0.001","13.4176","0.0013","84.009","0.003","86.084","0.003","72.303","0.003","995.66","0.17","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C22 H20 F3 N3 O2 S -","- C22 H20 F3 N3 O2 S -","- C44 H40 F6 N6 O4 S2 -","2","1","","Ikonnikova, Viktoria A.; Shchigal, Olga E.; Anisenko, Andrey N.; Solyev, Pavel N.; Krylkov, Grigory A.; Romanenko, Alexander R.; Korlyukov, Alexander A.; Baranov, Mikhail S.; Gottikh, Marina B.; Mikhaylov, Andrey A.","Cycloaddition of benzo[<i>d</i>]thiazoles with imidazol-4-one-activated donor-acceptor cyclopropanes: synthesis of spirocyclic inhibitors of HIV-1.","Organic & biomolecular chemistry","2026","24","15","3232","3238","10.1039/d6ob00180g","","","0.71073","MoKα","","0.082","0.0434","","","0.0895","0.0964","","","","","","0.933","","","","has coordinates,has disorder","305858","2026-05-05","09:32:49",""
"7161092","10.2133","0.0006","16.6796","0.0009","17.8803","0.0012","90","","105.687","0.007","90","","2932.5","0.3","294","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C11.69 H8.62 N1.23 -","- C11.6923 H8.61538 N1.23077 -","- C152 H112 N16 -","13","1.625","","Xu, Fen; Zhang, Shi-Yu; Huo, Jia-Qi; Zeng, Fan-Wang; Zhou, Fu-Kang; Barboni, Luciano","Rh(III)-catalyzed cascade C-H activation/amination enables the synthesis of 1,2-disubstituted benzimidazoles from amidines and arynes.","Organic & biomolecular chemistry","2026","24","15","3218","3222","10.1039/d6ob00074f","","x-ray","0.71073","MoKα","","0.0633","0.0466","","","0.1636","0.1766","","","","","","1.181","","","","has coordinates","305857","2026-05-05","09:32:46",""
"7161093","6.2779","0.0013","11.148","0.002","22.875","0.005","90","","97.504","0.005","90","","1587.2","0.6","131.9","0.2","131.9","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H34 N5 O -","- C40 H34 N5 O -","- C80 H68 N10 O2 -","2","1","","Xu, Fen; Zhang, Shi-Yu; Huo, Jia-Qi; Zeng, Fan-Wang; Zhou, Fu-Kang; Barboni, Luciano","Rh(III)-catalyzed cascade C-H activation/amination enables the synthesis of 1,2-disubstituted benzimidazoles from amidines and arynes.","Organic & biomolecular chemistry","2026","24","15","3218","3222","10.1039/d6ob00074f","","","0.71073","MoKα","","0.1706","0.1327","","","0.3759","0.4017","","","","","","1.116","","","","has coordinates","305857","2026-05-05","09:32:46",""
"7161094","10.4759","0.0002","5.4789","0.0001","15.0364","0.0003","90","","104.289","0.001","90","","836.34","0.03","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H20 O6 -","- C19 H20 O6 -","- C38 H40 O12 -","2","1","","Wu, Ying; Ma, Ze; Huang, Yong-Xiang; Li, Tian-Ze; Wang, Yong-Cui; Chen, Ji-Jun","Discovery of artemargyins A-E: rare 9'-<i>nor</i>-dibenzylbutane lignans and a lignan-coumarin hybrid with anti-hepatic fibrosis activities from <i>Artemisia argyi</i> var<i>. gracilis</i>.","Organic & biomolecular chemistry","2026","24","16","3496","3505","10.1039/d6ob00214e","","","1.54178","CuKα","","0.0388","0.0364","","","0.0938","0.0964","","","","","","1.032","","","","has coordinates","305846","2026-05-05","09:31:38",""
"7161095","13.6548","0.0006","18.6047","0.0008","8.5036","0.0004","90","","99.736","0.004","90","","2129.17","0.17","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","yzl","","- C27 H19 N O -","- C27 H19 N O -","- C108 H76 N4 O4 -","4","1","","Shu, Qian; Li, Dinghao; Zheng, Siyu; Lu, Xue-Lian; Sun, Bing; Zhang, Fang-Lin","Photocatalytic C-H amination of electron-rich arenes by novel fused quinoline-based photocatalysts.","Organic & biomolecular chemistry","2026","24","15","3318","3322","10.1039/d6ob00270f","","x-ray","1.54184","CuKα","","0.1109","0.1031","","","0.2696","0.2856","","","","","","1.261","","","","has coordinates","305859","2026-05-05","09:32:52",""
"7161096","10.933","0.002","12.5","0.002","15.856","0.003","90","","109.097","0.006","90","","2047.7","0.6","300","2","300","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H24 N2 O2 -","- C25 H24 N2 O2 -","- C100 H96 N8 O8 -","4","1","","Ballanki, Trinadh; Subramanian, Anjali Devi; Chinnappa, Pravin; Suresh Kumar, Vaishnu; Garg, Mohit; Haribabu, Jebiti; Moraga, Daniel; Viswambharan, Baby","Potassium hydrogen sulfate promoted one-pot synthesis of bis(indolyl)alkane esters from α-keto carboxylic acids: <i>in silico</i> and <i>in vitro</i> anticancer studies.","Organic & biomolecular chemistry","2026","24","17","3737","3747","10.1039/d6ob00318d","","","0.71073","MoKα","","0.0757","0.0607","","","0.1464","0.1576","","","","","","1.041","","","","has coordinates,has disorder","306482","2026-06-05","19:30:58",""
"7161097","11.1309","0.0017","12.6805","0.0019","19.595","0.003","106.305","0.008","98.029","0.008","90.268","0.008","2625.7","0.7","303","","303","","","","","","","","","4","P -1","-P 1","2","","","","- C28 H30 N2 O5 -","- C28 H30 N2 O5 -","- C112 H120 N8 O20 -","4","2","","Wang, Xiaojiao; Cao, Xin; Li, Zhenjiang; Qi, Jialin; Gong, Shuwen","Efficient synthesis of quinoline-enone esters <i>via</i> copper-catalyzed coupling with electron-deficient alkynes and exploration of fluorescence in difluoroboron complexes.","Organic & biomolecular chemistry","2026","24","15","3239","3243","10.1039/d6ob00213g","","","1.54184","CuKα","","0.0765","0.0583","","","0.1663","0.1849","","","","","","1.05","","","","has coordinates,has disorder","305856","2026-05-05","09:32:43",""
"7161098","27.0007","0.0018","21.4303","0.001","9.5534","0.0004","90","","90","","90","","5527.9","0.5","295","2","295","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C24 H16 N4.36 O2.18 -","- C24 H16 N4.36364 O2.18182 -","- C264 H176 N48 O24 -","11","1.375","","Natarajan, Nithya; Mouttousadeappane, Dhanavardini; Gnanasambandam, Vasuki","Multicomponent domino synthesis of 6-azabicyclo[3.2.1]octanes and their cascade ring expansion toward 2-azabicyclo[4.3.1]decanes.","Organic & biomolecular chemistry","2026","24","12","2469","2480","10.1039/d5ob01817j","","","0.71073","MoKα","","0.0824","0.05","","","0.1076","0.1232","","","","","","1.017","","","","has coordinates","305274","2026-04-05","04:15:20",""
"7161099","7.3731","0.0005","7.4734","0.0006","9.44","0.0009","113.196","0.008","90.392","0.007","100.287","0.006","468.71","0.07","297","","297","","","","","","","","","4","P -1","-P 1","2","","GV-MNA","","- C11 H9 N3 O -","- C11 H9 N3 O -","- C22 H18 N6 O2 -","2","1","","Natarajan, Nithya; Mouttousadeappane, Dhanavardini; Gnanasambandam, Vasuki","Multicomponent domino synthesis of 6-azabicyclo[3.2.1]octanes and their cascade ring expansion toward 2-azabicyclo[4.3.1]decanes.","Organic & biomolecular chemistry","2026","24","12","2469","2480","10.1039/d5ob01817j","","","0.71073","MoKα","","0.0537","0.0463","","","0.1169","0.1244","","","","","","1.057","","","","has coordinates","305274","2026-04-05","04:15:20",""
"7161100","13.9052","0.0008","13.926","0.0009","14.7055","0.0013","117.811","0.002","105.207","0.003","99.479","0.002","2288.9","0.3","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","MNBF","","- C47 H43 F6 N11 O3 -","- C47 H43 F6 N11 O3 -","- C94 H86 F12 N22 O6 -","2","1","","Natarajan, Nithya; Mouttousadeappane, Dhanavardini; Gnanasambandam, Vasuki","Multicomponent domino synthesis of 6-azabicyclo[3.2.1]octanes and their cascade ring expansion toward 2-azabicyclo[4.3.1]decanes.","Organic & biomolecular chemistry","2026","24","12","2469","2480","10.1039/d5ob01817j","","","0.71073","MoKα","","0.0857","0.0693","","","0.1979","0.2226","","","","","","1.031","","","","has coordinates,has disorder","305274","2026-04-05","04:15:20",""
"7161101","35.7051","0.0019","35.7051","0.0019","6.9742","0.0005","90","","90","","120","","7699.9","0.8","298","2","298","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C18 H19 N O4 -","- C18 H19 N O4 -","- C324 H342 N18 O72 -","18","1","","Martín-Acosta, Pedro; Bratukhin, Maksim; Estévez-Braun, Ana","Alcohol-mediated isocyanide domino reactions toward the synthesis of 2-aminofuronaphthoquinones.","Organic & biomolecular chemistry","2026","24","17","3709","3720","10.1039/d5ob02014j","","x-ray","1.54184","CuKα","","0.0563","0.044","","","0.1149","0.1259","","","","","","1.025","","","","has coordinates","306478","2026-06-05","19:30:36",""
"7161102","8.5157","0.0011","12.5173","0.0016","13.9114","0.0017","90.342","0.003","91.011","0.004","97.382","0.004","1470.3","0.3","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H31 Cl N5 O3 -","- C34 H31 Cl N5 O3 -","- C68 H62 Cl2 N10 O6 -","2","1","","Wu, Wenhui; Li, Wenkai; Xu, Yongqiang; Zhou, Yuhan; Qu, Jingping; Wang, Baomin","Access to arylurazoles bearing both central and C-N axial chirality <i>via</i> asymmetric desymmetrization catalyzed by chiral phosphoric acid.","Organic & biomolecular chemistry","2026","24","16","3454","3458","10.1039/d6ob00223d","","","0.71073","MoKα","","0.0871","0.0576","","","0.1369","0.1554","","","","","","1.051","","","","has coordinates","305847","2026-05-05","09:31:41",""
"7161103","10.1396","0.0005","16.5438","0.0008","23.8646","0.0012","90","","101.338","0.002","90","","3925.1","0.3","170","","170","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H34 N2 O6 S2 -","- C44 H34 N2 O6 S2 -","- C176 H136 N8 O24 S8 -","4","1","","Fan, Jiale; Xie, Jianwei; Lu, Pinxg; Wang, Yanguang","Visible light-induced synthesis of benzofuro[3,2-<i>b</i>]pyridines from aurone-derived azadienes.","Organic & biomolecular chemistry","2026","24","17","3654","3658","10.1039/d6ob00444j","","","1.34139","GaKα","","0.0484","0.0393","","","0.107","0.1121","","","","","","1.058","","","","has coordinates","306481","2026-06-05","19:30:55",""
"7161104","7.8835","0.0012","14.574","0.002","16.22","0.002","108.513","0.004","90.182","0.004","98.579","0.005","1744.8","0.4","250","","250","","","","","","","","","5","P -1","-P 1","2","","","","- C41 H34 N2 O6 S -","- C41 H34 N2 O6 S -","- C82 H68 N4 O12 S2 -","2","1","","Fan, Jiale; Xie, Jianwei; Lu, Pinxg; Wang, Yanguang","Visible light-induced synthesis of benzofuro[3,2-<i>b</i>]pyridines from aurone-derived azadienes.","Organic & biomolecular chemistry","2026","24","17","3654","3658","10.1039/d6ob00444j","","","1.34139","GaKα","","0.0772","0.0573","","","0.1438","0.1551","","","","","","1.08","","","","has coordinates","306481","2026-06-05","19:30:55",""
"7161105","7.6076","0.0003","7.7166","0.0003","8.4813","0.0003","111.879","0.003","99.742","0.003","90.024","0.003","454.27","0.03","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H12 Br2 O -","- C8 H12 Br2 O -","- C16 H24 Br4 O2 -","2","1","","Lysenko, Vladyslav; Popov, Ioann O.; Slobodyanyuk, Evgeniy Y.; Rusanov, Eduard B.; Pashenko, Olexandr Ye; Volochnyuk, Dmytro M.; Ryabukhin, Serhiy V.","Cyclooctadiene-derived cage-divergent synthesis of heteroadamantanes and alternative polycyclic systems.","Organic & biomolecular chemistry","2026","24","17","3643","3648","10.1039/d6ob00368k","","","0.71073","MoKα","","0.0394","0.0297","","","0.0691","0.0734","","","","","","1.064","","","","has coordinates","306480","2026-06-05","19:30:48",""
"7161106","6.7405","0.0002","7.1349","0.0002","17.6338","0.0005","90","","90","","90","","848.06","0.04","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H14 Br N O -","- C8 H14 Br N O -","- C32 H56 Br4 N4 O4 -","4","1","","Lysenko, Vladyslav; Popov, Ioann O.; Slobodyanyuk, Evgeniy Y.; Rusanov, Eduard B.; Pashenko, Olexandr Ye; Volochnyuk, Dmytro M.; Ryabukhin, Serhiy V.","Cyclooctadiene-derived cage-divergent synthesis of heteroadamantanes and alternative polycyclic systems.","Organic & biomolecular chemistry","2026","24","17","3643","3648","10.1039/d6ob00368k","","","0.71073","MoKα","","0.0352","0.0283","","","0.0506","0.0525","","","","","","1.008","","","","has coordinates","306480","2026-06-05","19:30:48",""
"7161107","6.5973","0.0002","7.1306","0.0002","11.5989","0.0003","105.496","0.002","95.839","0.002","91.827","0.002","522.09","0.03","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H10 Br2 N2 O -","- C9 H10 Br2 N2 O -","- C18 H20 Br4 N4 O2 -","2","1","","Lysenko, Vladyslav; Popov, Ioann O.; Slobodyanyuk, Evgeniy Y.; Rusanov, Eduard B.; Pashenko, Olexandr Ye; Volochnyuk, Dmytro M.; Ryabukhin, Serhiy V.","Cyclooctadiene-derived cage-divergent synthesis of heteroadamantanes and alternative polycyclic systems.","Organic & biomolecular chemistry","2026","24","17","3643","3648","10.1039/d6ob00368k","","","0.71073","MoKα","","0.0327","0.0233","","","0.0529","0.056","","","","","","1.042","","","","has coordinates","306480","2026-06-05","19:30:48",""
"7161108","19.158","0.0008","5.3842","0.0002","13.0363","0.0006","90","","128.734","0.004","90","","1048.95","0.1","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C8 H12 I2 O -","- C8 H12 I2 O -","- C32 H48 I8 O4 -","4","0.5","","Lysenko, Vladyslav; Popov, Ioann O.; Slobodyanyuk, Evgeniy Y.; Rusanov, Eduard B.; Pashenko, Olexandr Ye; Volochnyuk, Dmytro M.; Ryabukhin, Serhiy V.","Cyclooctadiene-derived cage-divergent synthesis of heteroadamantanes and alternative polycyclic systems.","Organic & biomolecular chemistry","2026","24","17","3643","3648","10.1039/d6ob00368k","","","0.71073","MoKα","","0.0337","0.0291","","","0.057","0.0605","","","","","","1.06","","","","has coordinates","306480","2026-06-05","19:30:48",""
"7161109","11.3355","0.0003","11.1067","0.0002","12.0599","0.0003","90","","117.267","0.0015","90","","1349.63","0.06","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H22 N2 O3 -","- C13 H22 N2 O3 -","- C52 H88 N8 O12 -","4","1","","Lysenko, Vladyslav; Popov, Ioann O.; Slobodyanyuk, Evgeniy Y.; Rusanov, Eduard B.; Pashenko, Olexandr Ye; Volochnyuk, Dmytro M.; Ryabukhin, Serhiy V.","Cyclooctadiene-derived cage-divergent synthesis of heteroadamantanes and alternative polycyclic systems.","Organic & biomolecular chemistry","2026","24","17","3643","3648","10.1039/d6ob00368k","","","0.71073","MoKα","","0.0646","0.0463","","","0.115","0.128","","","","","","1.018","","","","has coordinates","306480","2026-06-05","19:30:48",""
"7161110","9.4913","0.0007","11.0265","0.0008","12.1046","0.0009","90","","90","","90","","1266.82","0.16","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H21 N O3 -","- C13 H21 N O3 -","- C52 H84 N4 O12 -","4","1","","Lysenko, Vladyslav; Popov, Ioann O.; Slobodyanyuk, Evgeniy Y.; Rusanov, Eduard B.; Pashenko, Olexandr Ye; Volochnyuk, Dmytro M.; Ryabukhin, Serhiy V.","Cyclooctadiene-derived cage-divergent synthesis of heteroadamantanes and alternative polycyclic systems.","Organic & biomolecular chemistry","2026","24","17","3643","3648","10.1039/d6ob00368k","","","0.71073","MoKα","","0.0858","0.0495","","","0.0778","0.084","","","","","","0.96","","","","has coordinates","306480","2026-06-05","19:30:48",""
"7161111","7.6576","0.0004","7.032","0.0003","18.5903","0.0009","90","","94.643","0.002","90","","997.77","0.08","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H10 I2 O2 -","- C8 H10 I2 O2 -","- C32 H40 I8 O8 -","4","1","","Lysenko, Vladyslav; Popov, Ioann O.; Slobodyanyuk, Evgeniy Y.; Rusanov, Eduard B.; Pashenko, Olexandr Ye; Volochnyuk, Dmytro M.; Ryabukhin, Serhiy V.","Cyclooctadiene-derived cage-divergent synthesis of heteroadamantanes and alternative polycyclic systems.","Organic & biomolecular chemistry","2026","24","17","3643","3648","10.1039/d6ob00368k","","","0.71073","MoKα","","0.021","0.0192","","","0.0459","0.0469","","","","","","1.008","","","","has coordinates","306480","2026-06-05","19:30:48",""
"7161112","7.3278","0.0003","18.7355","0.0007","6.6727","0.0004","90","","96.904","0.003","90","","909.45","0.07","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H10 Br2 O2 -","- C8 H10 Br2 O2 -","- C32 H40 Br8 O8 -","4","1","","Lysenko, Vladyslav; Popov, Ioann O.; Slobodyanyuk, Evgeniy Y.; Rusanov, Eduard B.; Pashenko, Olexandr Ye; Volochnyuk, Dmytro M.; Ryabukhin, Serhiy V.","Cyclooctadiene-derived cage-divergent synthesis of heteroadamantanes and alternative polycyclic systems.","Organic & biomolecular chemistry","2026","24","17","3643","3648","10.1039/d6ob00368k","","","0.71073","MoKα","","0.0561","0.0425","","","0.0921","0.0977","","","","","","1.047","","","","has coordinates","306480","2026-06-05","19:30:48",""
"7161113","7.8853","0.0003","7.8504","0.0003","21.1466","0.0009","90","","93.193","0.002","90","","1307","0.09","291","","291","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H15 N3 O Se -","- C14 H15 N3 O Se -","- C56 H60 N12 O4 Se4 -","4","1","","Kudryavtseva, Tatiana A.; Kudryavtseva, Ekaterina N.; Lichitsky, Boris V.","Construction of a 2<i>H</i>-1,4-selenazin-3(4<i>H</i>)-one framework <i>via</i> cyclization of pyrazole derivatives bearing chloroacetamide and selenocyanate fragments.","Organic & biomolecular chemistry","2026","24","17","3748","3758","10.1039/d6ob00263c","","","0.71073","MoKα","","0.0284","0.0225","","","0.0528","0.0556","","","","","","1.06","","","","has coordinates","306477","2026-06-05","19:30:33",""
"7161114","17.2784","0.0006","7.6648","0.0003","12.0994","0.0004","90","","105.19","0.001","90","","1546.41","0.1","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 I O3 -","- C17 H13 I O3 -","- C68 H52 I4 O12 -","4","1","","Paz Armero, Paula K.; Calvo, Natalia L.; Salazar, Mario O.; Furlan, Ricardo L. E.; Kaufman, Teodoro S.; Bracca, Andrea B. J.","First total synthesis and evaluation of the α-glucosidase inhibitory activity of (±)-methyl dihydromarmesinate, an anti-inflammatory phenylpropanoid from <i>Ficus hirta</i> Vahl., and related benzofurans.","Organic & biomolecular chemistry","2026","24","18","3905","3917","10.1039/d6ob00365f","","","0.71073","MoKα","","0.0717","0.0448","","","0.0935","0.1154","","","","","","1.074","","","","has coordinates","306497","2026-06-05","19:33:14",""
"7161115","10.4219","0.0005","10.5863","0.0005","11.5849","0.0005","96.178","0.003","116.703","0.004","111.389","0.004","1004.97","0.11","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","Indole C2 olefination","","- C3.429 H2.857 N0.286 O0.429 S0.143 -","- C3.42857 H2.85714 N0.285714 O0.428571 S0.142857 -","- C48 H40 N4 O6 S2 -","14","7","","Yadav, Kanchan; Jat, Ram Singh; Singh, Ritesh; Goswami, Bhupendra; Bhanuchandra, M.","2-Pyridyl sulfoxide-directed Pd(II)-catalyzed regioselective C2-arylation/alkenylation of indoles.","Organic & biomolecular chemistry","2026","24","18","3935","3940","10.1039/d6ob00484a","","x-ray","0.71073","MoKα","","0.0449","0.0369","","","0.0929","0.102","","","","","","0.978","","","","has coordinates","306496","2026-06-05","19:33:11",""
"7161116","10.0779","0.0005","10.345","0.0005","11.3372","0.0006","101.235","0.002","112.253","0.001","97.941","0.002","1043.32","0.09","298","2","298","2","","","","","","","","5","P -1","-P 1","2","Indole C2 Arylation","Indole C2 Arylation","","- C26 H20 N2 O S -","- C26 H20 N2 O S -","- C52 H40 N4 O2 S2 -","2","1","","Yadav, Kanchan; Jat, Ram Singh; Singh, Ritesh; Goswami, Bhupendra; Bhanuchandra, M.","2-Pyridyl sulfoxide-directed Pd(II)-catalyzed regioselective C2-arylation/alkenylation of indoles.","Organic & biomolecular chemistry","2026","24","18","3935","3940","10.1039/d6ob00484a","","","1.54178","CuKα","","0.0731","0.0708","","","0.2028","0.2064","","","","","","1.086","","","","has coordinates","306496","2026-06-05","19:33:11",""
"7161117","23.8296","0.0009","21.2588","0.0009","7.8763","0.0003","90","","90","","90","","3990","0.3","293","2","293","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C37 H36 N2 O10 -","- C37 H36 N2 O10 -","- C148 H144 N8 O40 -","4","1","","Suresh, Sundaram","Configurational stability of bis-<i>ortho</i>-methyl Tröger's base: methylene bridge substitution with retention of stereochemistry.","Organic & biomolecular chemistry","2026","24","17","3728","3736","10.1039/d6ob00250a","","","1.54184","CuKα","","0.0986","0.0697","","","0.1692","0.1925","","","","","","0.914","","","","has coordinates","306479","2026-06-05","19:30:44",""
"7161118","27.2942","0.0012","5.7884","0.0003","9.2458","0.0004","90","","97.244","0.002","90","","1449.08","0.12","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 N O2 -","- C19 H17 N O2 -","- C76 H68 N4 O8 -","4","1","","Feng, Xin; Fan, Renhua; He, Qiuqin","Synthesis of furoquinolines from 2-alkenylanilines <i>via</i> anodic dearomatization and cascade cyclization.","Organic & biomolecular chemistry","2026","24","18","3868","3872","10.1039/d6ob00390g","","","1.34139","GaKα","","0.059","0.0528","","","0.155","0.1605","","","","","","1.104","","","","has coordinates","306498","2026-06-05","19:33:17",""
"7161119","13.1658","0.0003","8.466","0.0002","27.576","0.0008","90","","90","","90","","3073.67","0.13","99.98","0.1","99.98","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H15 N O -","- C22 H15 N O -","- C176 H120 N8 O8 -","8","1","","Ye, Yu-Ying; Yang, Fang; Hu, Wei; Yang, Yao; Pan, Guo-Jun; Chen, Zi-Sheng; Ji, Kegong","Gold(I)-catalyzed regioselective hydroarylation of indole-ynones: an approach to carbazole derivatives.","Organic & biomolecular chemistry","2026","24","18","3873","3877","10.1039/d6ob00425c","","x-ray","1.54184","CuKα","","0.0583","0.0487","","","0.1216","0.1288","","","","","","1.086","","","","has coordinates","306493","2026-06-05","19:32:57",""
"7161120","8.5113","0.0009","22.4784","0.0019","10.1545","0.0009","90","","99.787","0.009","90","","1914.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 Cl2 N3 S -","- C22 H18 Cl2 N3 S -","- C88 H72 Cl8 N12 S4 -","4","1","","Song, Xiang-Jia; Wang, Ya-Xiong; Geng, Xin-Sheng; Zhang, Jing-Jing; Yang, Yu; Zhang, Min-Min; Yu, Hong-Feng; Zhao, Ning-Ning","Synthesis of 2-aminobenzothiazole substituted indoles <i>via</i> DBU catalyzed addition of indoles and benzothiazolimines.","Organic & biomolecular chemistry","2026","24","19","4069","4073","10.1039/d6ob00152a","","x-ray","0.71073","MoKα","","0.1057","0.0555","","","0.1453","0.1684","","","","","","1.041","","","","has coordinates","306484","2026-06-05","19:31:29",""
"7161121","14.6282","0.0007","5.1309","0.0002","17.2849","0.0009","90","","106.392","0.005","90","","1244.6","0.11","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H11 N O2 S -","- C16 H11 N O2 S -","- C64 H44 N4 O8 S4 -","4","1","","Liu, Xinya; Tran, Christine; Provot, Olivier; Retailleau, Pascal; Hamze, Abdallah","Mild PIFA-mediated synthesis of benzo[4,5]thiazolo[3,2-<i>a</i>]indoles <i>via</i> oxidative cyclization.","Organic & biomolecular chemistry","2026","24","19","4062","4068","10.1039/d6ob00393a","","x-ray","0.71073","MoKα","","0.0466","0.0258","","","0.042","0.048","","","","","","1.0569","","","","has coordinates","306487","2026-06-05","19:32:00",""
"7161122","10.7774","0.0008","24.6512","0.0014","4.0427","0.0003","90","","90","","90","","1074.05","0.13","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","2-fluorobenzo[4,5]thiazolo[3,2-a]indole","","- C14 H8 F N S -","- C14 H8 F N S -","- C56 H32 F4 N4 S4 -","4","1","","Liu, Xinya; Tran, Christine; Provot, Olivier; Retailleau, Pascal; Hamze, Abdallah","Mild PIFA-mediated synthesis of benzo[4,5]thiazolo[3,2-<i>a</i>]indoles <i>via</i> oxidative cyclization.","Organic & biomolecular chemistry","2026","24","19","4062","4068","10.1039/d6ob00393a","","x-ray","0.71073","MoKα","","0.0496","0.0414","","","0.1045","0.1088","","","","","","1.065","","","","has coordinates,has disorder","306487","2026-06-05","19:32:00",""
"7161123","32.1651","0.0013","7.2605","0.0003","21.6128","0.0009","90","","105.122","0.004","90","","4872.6","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","'11-methyl-7-(1-(3,4,5-trimethoxyphenyl)vinyl)benzo[4,5]thiazolo[3,2-a]indole'","","- C53 H47 Cl3 N2 O6 S2 -","- C53 H47 Cl3 N2 O6 S2 -","- C212 H188 Cl12 N8 O24 S8 -","4","1","","Liu, Xinya; Tran, Christine; Provot, Olivier; Retailleau, Pascal; Hamze, Abdallah","Mild PIFA-mediated synthesis of benzo[4,5]thiazolo[3,2-<i>a</i>]indoles <i>via</i> oxidative cyclization.","Organic & biomolecular chemistry","2026","24","19","4062","4068","10.1039/d6ob00393a","","","0.71073","MoKα","","0.0717","0.0492","","","0.1281","0.1403","","","","","","1.025","","","","has coordinates,has disorder","306487","2026-06-05","19:32:00",""
"7161126","7.63797","0.00004","13.0551","0.00008","25.73785","0.00017","90","","90","","90","","2566.44","0.03","170","0.1","170","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H25 N3 O3 S -","- C30 H25 N3 O3 S -","- C120 H100 N12 O12 S4 -","4","1","","Hu, Zi-Hong; Liu, Xiong-Wei; Geng, Wen-Xiu; Wang, Ning; Yao, Zhen; Li, Rui-Rui; Zhang, Wen-Hui; Liu, Xiong-Li","Crab-shaped tridentate HoQ-Sulidines as bifunctional anionic ligands: empowering asymmetric addition reactions of indoles with β,γ-unsaturated α-ketoesters.","Organic & biomolecular chemistry","2026","24","19","4010","4015","10.1039/d6ob00442c","","x-ray","1.54184","CuKα","","0.0241","0.0238","","","0.0647","0.065","","","","","","1.036","","","","has coordinates","306486","2026-06-05","19:31:52",""
"7161127","9.2275","0.0001","16.6465","0.0001","17.3955","0.0001","90","","90","","90","","2672.05","0.04","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H28 N4 O2 S -","- C32 H28 N4 O2 S -","- C128 H112 N16 O8 S4 -","4","1","","Hu, Zi-Hong; Liu, Xiong-Wei; Geng, Wen-Xiu; Wang, Ning; Yao, Zhen; Li, Rui-Rui; Zhang, Wen-Hui; Liu, Xiong-Li","Crab-shaped tridentate HoQ-Sulidines as bifunctional anionic ligands: empowering asymmetric addition reactions of indoles with β,γ-unsaturated α-ketoesters.","Organic & biomolecular chemistry","2026","24","19","4010","4015","10.1039/d6ob00442c","","x-ray","1.54184","CuKα","","0.0284","0.0277","","","0.0732","0.0737","","","","","","1.032","","","","has coordinates","306486","2026-06-05","19:31:52",""
"7161128","13.59179","0.00005","13.59179","0.00005","30.9537","0.0002","90","","90","","90","","5718.29","0.05","295.34","0.1","295.34","0.1","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C32 H29 N3 O3 S -","- C32 H29 N3 O3 S -","- C256 H232 N24 O24 S8 -","8","1","","Hu, Zi-Hong; Liu, Xiong-Wei; Geng, Wen-Xiu; Wang, Ning; Yao, Zhen; Li, Rui-Rui; Zhang, Wen-Hui; Liu, Xiong-Li","Crab-shaped tridentate HoQ-Sulidines as bifunctional anionic ligands: empowering asymmetric addition reactions of indoles with β,γ-unsaturated α-ketoesters.","Organic & biomolecular chemistry","2026","24","19","4010","4015","10.1039/d6ob00442c","","x-ray","1.54184","CuKα","","0.0381","0.0359","","","0.1","0.1017","","","","","","1.081","","","","has coordinates","306486","2026-06-05","19:31:52",""
"7161129","9.4693","0.0004","6.1019","0.0002","10.6945","0.0004","90","","101.868","0.004","90","","604.73","0.04","100.01","0.13","100.01","0.13","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H16 N2 O2 -","- C13 H16 N2 O2 -","- C26 H32 N4 O4 -","2","1","","Lei, Zhikun; Wang, Chuanbao; Du, Yu; Wang, Yaxin; Teng, Jinkui; Guo, Xiaoping; Jiang, Yun-Bao; Yan, Xiaosheng","Hydrazine hydrate facilitates efficient synthesis of cyclodipeptides for antibacterial screening.","Organic & biomolecular chemistry","2026","24","18","3969","3975","10.1039/d6ob00499g","","","1.54184","CuKα","","0.0352","0.0325","","","0.0835","0.0852","","","","","","1.081","","","","has coordinates","306495","2026-06-05","19:33:07",""
"7161130","7.637","0.0001","15.9982","0.0002","11.0067","0.0001","90","","90","","90","","1344.78","0.03","100","0.1","100.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34 H32 N4 O4 -","- C34 H32 N4 O4 -","- C68 H64 N8 O8 -","2","1","","Lei, Zhikun; Wang, Chuanbao; Du, Yu; Wang, Yaxin; Teng, Jinkui; Guo, Xiaoping; Jiang, Yun-Bao; Yan, Xiaosheng","Hydrazine hydrate facilitates efficient synthesis of cyclodipeptides for antibacterial screening.","Organic & biomolecular chemistry","2026","24","18","3969","3975","10.1039/d6ob00499g","","","1.54184","CuKα","","0.1069","0.1056","","","0.2702","0.2716","","","","","","1.132","","","","has coordinates","306495","2026-06-05","19:33:07",""
"7161131","6.1202","0.0004","7.0189","0.0005","9.3471","0.0005","100.217","0.006","94.013","0.005","90.202","0.005","394.14","0.04","100","0.1","100.15","","","","","","","","","4","P 1","P 1","1","","","","- C7 H12 N2 O2 -","- C7 H12 N2 O2 -","- C14 H24 N4 O4 -","2","2","","Lei, Zhikun; Wang, Chuanbao; Du, Yu; Wang, Yaxin; Teng, Jinkui; Guo, Xiaoping; Jiang, Yun-Bao; Yan, Xiaosheng","Hydrazine hydrate facilitates efficient synthesis of cyclodipeptides for antibacterial screening.","Organic & biomolecular chemistry","2026","24","18","3969","3975","10.1039/d6ob00499g","","","1.54184","CuKα","","0.0589","0.0551","","","0.1539","0.1576","","","","","","1.107","","","","has coordinates","306495","2026-06-05","19:33:07",""
"7161132","8.807","0.003","15.799","0.006","12.225","0.005","90","","110.467","0.01","90","","1593.6","1","296","2","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 F N O -","- C22 H14 F N O -","- C88 H56 F4 N4 O4 -","4","1","","Kumar, Mukesh; Yadav, Komal; Singh, Satyajit; Rangnath Pawar, Anil; Singh, Mrinalini; Iyer, Parameswar Krishnan; Khan, Abu Taleb","CSA-catalyzed three-component synthesis of 6-aryl-6<i>H</i>-chromeno[4,3-<i>b</i>]quinolines.","Organic & biomolecular chemistry","2026","24","18","3953","3959","10.1039/d6ob00383d","","","0.71073","MoKα","","0.1432","0.1025","","","0.1611","0.1806","","","","","","1.279","","","","has coordinates,has disorder","306494","2026-06-05","19:33:04",""
"7161133","7.7262","0.0001","21.5894","0.0002","13.0373","0.0001","90","","97.386","0.001","90","","2156.63","0.04","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H30 O5.5 P -","- C20 H25 O5 P -","- C80 H100 O20 P4 -","4","1","","Kaboudin, Babak; Yadghybi, Abolfazl; Yanai, Hikaru; Fukaya, Haruhiko; Zhang, Tianjian; Gu, Yanlong","Chemo-, regio- and stereoselective synthesis of (<i>E</i>)-γ,γ-diarylvinylphosphonates from α-hydroxyallylphosphonates in TFA.","Organic & biomolecular chemistry","2026","24","19","4104","4114","10.1039/d6ob00158k","","x-ray","1.54184","CuKα","","0.0407","0.0393","","","0.0998","0.1007","","","","","","1.061","","","","has coordinates","306485","2026-06-05","19:31:37",""
"7161134","9.8751","0.0001","16.6887","0.0003","20.4604","0.0003","90","","90","","90","","3371.93","0.09","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H21 O4 P -","- C18 H21 O4 P -","- C144 H168 O32 P8 -","8","2","","Kaboudin, Babak; Yadghybi, Abolfazl; Yanai, Hikaru; Fukaya, Haruhiko; Zhang, Tianjian; Gu, Yanlong","Chemo-, regio- and stereoselective synthesis of (<i>E</i>)-γ,γ-diarylvinylphosphonates from α-hydroxyallylphosphonates in TFA.","Organic & biomolecular chemistry","2026","24","19","4104","4114","10.1039/d6ob00158k","","x-ray","1.54184","CuKα","","0.0647","0.0613","","","0.155","0.1574","","","","","","1.043","","","","has coordinates,has disorder","306485","2026-06-05","19:31:37",""
"7161135","9.4118","0.0003","9.4411","0.0003","19.4473","0.0006","93.921","0.002","94.27","0.002","115.72","0.003","1542.74","0.09","99.9","0.2","99.9","0.2","","","","","","","","5","P 1","P 1","1","","","","- C51 H96 N4 O19 Si4 -","- C51 H96 N4 O19 Si4 -","- C51 H96 N4 O19 Si4 -","1","1","","Kamsali, Murali Mohan Achari; Alakonda, Laxman Mahadev; Alam, Mohammed Mujahid; Varala, Ravi","A five-year perspective on DMAP as a cutting-edge reagent in heterocyclic ring formation.","Organic & biomolecular chemistry","2026","24","20","4196","4226","10.1039/d6ob00261g","","x-ray","1.54184","CuKα","","0.065","0.0573","","","0.1223","0.126","","","","","","1.121","","","","has coordinates,has disorder","306489","2026-06-05","19:32:16",""
"7161136","10.7544","0.0008","15.4745","0.0011","17.0735","0.0014","90","","92.652","0.003","90","","2838.3","0.4","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H35 N3 O3 -","- C33 H35 N3 O3 -","- C132 H140 N12 O12 -","4","1","","Ding, Chenyue; Yin, Yuan; Hu, Enyu; Dong, Huiwen; He, Yanru; Wu, Shuaijie; Han, Ying; Wang, Lei","Synthesis of bisindole scaffolds by palladium-catalyzed allylic alkylation of <i>N</i>-aminoindole with <i>ortho</i>-iodoaryl allenes.","Organic & biomolecular chemistry","2026","24","20","4227","4231","10.1039/d6ob00447d","","","0.71073","MoKα","","0.1153","0.0511","","","0.1127","0.1339","","","","","","1.025","","","","has coordinates","306492","2026-06-05","19:32:42",""
"7161137","20.503","0.002","16.785","0.002","17.144","0.002","90","","94.575","0.005","90","","5881.2","1.1","273","2","273.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H34 Cl N3 O5 -","- C30 H34 Cl N3 O5 -","- C240 H272 Cl8 N24 O40 -","8","1","","Ding, Chenyue; Yin, Yuan; Hu, Enyu; Dong, Huiwen; He, Yanru; Wu, Shuaijie; Han, Ying; Wang, Lei","Synthesis of bisindole scaffolds by palladium-catalyzed allylic alkylation of <i>N</i>-aminoindole with <i>ortho</i>-iodoaryl allenes.","Organic & biomolecular chemistry","2026","24","20","4227","4231","10.1039/d6ob00447d","","","0.71073","MoKα","","0.0999","0.0531","","","0.1061","0.1239","","","","","","1.006","","","","has coordinates,has disorder","306492","2026-06-05","19:32:42",""
"7161138","9.17","0.004","10.005","0.005","20.716","0.009","90","","100.746","0.013","90","","1867.3","1.5","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C H Br Cl N O -","- C4.70588 H3.29412 Br0.235294 Cl0.235294 N0.470588 O0.705882 -","- C80 H56 Br4 Cl4 N8 O12 -","17","4.25","","Phukon, Hunmoina; Porashar, Bikoshita; Pradhan, Ankita; Saikia, Anil K.","Synthesis of substituted N-heterocycles <i>via</i> a cascade of Michael addition, double cyclization and air oxidation.","Organic & biomolecular chemistry","2026","24","19","4044","4049","10.1039/d6ob00591h","","","0.71073","MoKα","","0.0369","0.0305","","","0.0969","0.1065","","","","","","0.725","","","","has coordinates","306483","2026-06-05","19:31:23",""
"7161139","12.3089","0.0008","11.9791","0.0008","13.5487","0.0009","90","","107.785","0.002","90","","1902.3","0.2","296","2","296","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H17 N O6 -","- C22 H17 N O6 -","- C88 H68 N4 O24 -","4","1","","Phukon, Hunmoina; Porashar, Bikoshita; Pradhan, Ankita; Saikia, Anil K.","Synthesis of substituted N-heterocycles <i>via</i> a cascade of Michael addition, double cyclization and air oxidation.","Organic & biomolecular chemistry","2026","24","19","4044","4049","10.1039/d6ob00591h","","","0.71073","MoKα","","0.1003","0.0761","","","0.1496","0.1641","","","","","","1.201","","","","has coordinates","306483","2026-06-05","19:31:23",""
"7161142","10.4378","0.0005","10.0604","0.0004","21.4824","0.001","90","","101.308","0.005","90","","2212.04","0.18","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H22 Br N O3 S -","- C27 H22 Br N O3 S -","- C108 H88 Br4 N4 O12 S4 -","4","1","","Lal, Sohan; Tejashree, Gangavara L.; Das, Dipankar; Ganguly, Bishwajit; Chowdhury, Arindrajit; Namboothiri, Irishi N. N.","Utility of α-halodicyclopentadienones for the synthesis of novel fused heterocycles.","Organic & biomolecular chemistry","2026","24","21","4463","4476","10.1039/d6ob00317f","","x-ray","0.71073","MoKα","","0.0482","0.0365","","","0.0745","0.0812","","","","","","1.024","","","","has coordinates","306500","2026-06-05","19:33:35",""
"7161143","8.7539","0.0003","10.9118","0.0004","12.2664","0.0003","66.662","0.003","87.517","0.002","68.82","0.003","996.32","0.07","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C25 H20 Br N O2 -","- C25 H20 Br N O2 -","- C50 H40 Br2 N2 O4 -","2","1","","Lal, Sohan; Tejashree, Gangavara L.; Das, Dipankar; Ganguly, Bishwajit; Chowdhury, Arindrajit; Namboothiri, Irishi N. N.","Utility of α-halodicyclopentadienones for the synthesis of novel fused heterocycles.","Organic & biomolecular chemistry","2026","24","21","4463","4476","10.1039/d6ob00317f","","x-ray","0.71073","MoKα","","0.0438","0.0385","","","0.0978","0.1013","","","","","","1.062","","","","has coordinates","306500","2026-06-05","19:33:35",""
"7161144","9.5078","0.0008","11.2634","0.0009","12.0926","0.001","90","","90","","90","","1295","0.18","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 N2 O -","- C17 H16 N2 O -","- C68 H64 N8 O4 -","4","1","","Lal, Sohan; Tejashree, Gangavara L.; Das, Dipankar; Ganguly, Bishwajit; Chowdhury, Arindrajit; Namboothiri, Irishi N. N.","Utility of α-halodicyclopentadienones for the synthesis of novel fused heterocycles.","Organic & biomolecular chemistry","2026","24","21","4463","4476","10.1039/d6ob00317f","","x-ray","0.71073","MoKα","","0.0532","0.0441","","","0.0942","0.1008","","","","","","1.074","","","","has coordinates","306500","2026-06-05","19:33:35",""
"7161145","9.4144","0.0004","9.578","0.0004","12.3679","0.0005","111.479","0.004","95.22","0.003","101.94","0.003","998.15","0.08","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C21 H21 Br N2 O4 S -","- C19 H15 Br N2 O3 -","- C38 H30 Br2 N4 O6 -","2","1","","Lal, Sohan; Tejashree, Gangavara L.; Das, Dipankar; Ganguly, Bishwajit; Chowdhury, Arindrajit; Namboothiri, Irishi N. N.","Utility of α-halodicyclopentadienones for the synthesis of novel fused heterocycles.","Organic & biomolecular chemistry","2026","24","21","4463","4476","10.1039/d6ob00317f","","x-ray","0.71073","MoKα","","0.0403","0.0373","","","0.1004","0.1031","","","","","","1.059","","","","has coordinates","306500","2026-06-05","19:33:35",""
"7161146","8.3696","0.0004","9.917","0.0004","20.057","0.0009","96.597","0.003","94.003","0.004","112.839","0.004","1512.13","0.13","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C40 H38 N2 O4 -","- C40 H38 N2 O4 -","- C80 H76 N4 O8 -","2","1","","Lal, Sohan; Tejashree, Gangavara L.; Das, Dipankar; Ganguly, Bishwajit; Chowdhury, Arindrajit; Namboothiri, Irishi N. N.","Utility of α-halodicyclopentadienones for the synthesis of novel fused heterocycles.","Organic & biomolecular chemistry","2026","24","21","4463","4476","10.1039/d6ob00317f","","x-ray","0.71073","MoKα","","0.0572","0.0444","","","0.1002","0.1083","","","","","","1.0529","","","","has coordinates","306500","2026-06-05","19:33:35",""
"7161147","12.1893","0.0004","6.7861","0.0003","20.6372","0.0008","90","","93.489","0.004","90","","1703.9","0.11","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 Br N O4 -","- C20 H16 Br N O4 -","- C80 H64 Br4 N4 O16 -","4","1","","Lal, Sohan; Tejashree, Gangavara L.; Das, Dipankar; Ganguly, Bishwajit; Chowdhury, Arindrajit; Namboothiri, Irishi N. N.","Utility of α-halodicyclopentadienones for the synthesis of novel fused heterocycles.","Organic & biomolecular chemistry","2026","24","21","4463","4476","10.1039/d6ob00317f","","x-ray","0.71073","MoKα","","0.04","0.0328","","","0.0717","0.0756","","","","","","1.044","","","","has coordinates","306500","2026-06-05","19:33:35",""
"7161148","9.5438","0.0003","10.8153","0.0003","21.2219","0.0007","90","","91.168","0.001","90","","2190.05","0.12","294","","294","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H15 Br I N O5 S2 -","- C20 H15 Br I N O5 S2 -","- C80 H60 Br4 I4 N4 O20 S8 -","4","1","","Lu, AoYun; Chen, Yuqi; Wei, Bowen; Liu, Xiangning; Xia, Qin; Deng, Jianbing; Wang, Yong; Wan, Xiaobing","Visible-light-promoted sulfonimidation of alkenes and alkynes.","Organic & biomolecular chemistry","2026","24","20","4305","4311","10.1039/d6ob00451b","","","0.71073","MoKα","","0.0493","0.0322","","","0.0694","0.0782","","","","","","1.016","","","","has coordinates","306488","2026-06-05","19:32:04",""
"7161149","14.7144","0.0008","14.9499","0.0008","12.2357","0.0005","90","","95.903","0.002","90","","2677.3","0.2","295.2","","295.2","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H23 Br2 N O5 S2 -","- C25 H23 Br2 N O5 S2 -","- C100 H92 Br8 N4 O20 S8 -","4","1","","Lu, AoYun; Chen, Yuqi; Wei, Bowen; Liu, Xiangning; Xia, Qin; Deng, Jianbing; Wang, Yong; Wan, Xiaobing","Visible-light-promoted sulfonimidation of alkenes and alkynes.","Organic & biomolecular chemistry","2026","24","20","4305","4311","10.1039/d6ob00451b","","","0.71073","MoKα","","0.0549","0.0447","","","0.1211","0.1269","","","","","","1.076","","","","has coordinates","306488","2026-06-05","19:32:04",""
"7161150","10.1707","0.0001","30.9855","0.0004","7.1345","0.0001","90","","109.806","0.002","90","","2115.39","0.05","99.96","0.16","99.96","0.16","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H17 Cl3 N2 O3 -","- C24 H17 Cl3 N2 O3 -","- C96 H68 Cl12 N8 O12 -","4","1","","Migulin, Alexander V.; Milyutin, Constantine V.; Komogortsev, Andrey N.","Synthesis of allomaltol containing pyridazines and their photochemical transformation into substituted benzo[<i>h</i>]pyrano[2,3-<i>f</i>]cinnolin-8-ones.","Organic & biomolecular chemistry","2026","24","14","2971","2980","10.1039/d6ob00173d","","x-ray","1.54184","CuKα","","0.0342","0.0318","","","0.0836","0.0852","","","","","","1.075","","","","has coordinates","305717","2026-05-04","23:39:43",""
"7161151","8.0262","0.0002","10.3038","0.0003","12.5236","0.0003","66.963","0.002","80.09","0.002","89.957","0.002","936.35","0.05","99.97","0.15","99.97","0.15","","","","","","","","3","P -1","-P 1","2","","","","- C23 H18 O6 -","- C23 H18 O6 -","- C46 H36 O12 -","2","1","","Migulin, Alexander V.; Milyutin, Constantine V.; Komogortsev, Andrey N.","Synthesis of allomaltol containing pyridazines and their photochemical transformation into substituted benzo[<i>h</i>]pyrano[2,3-<i>f</i>]cinnolin-8-ones.","Organic & biomolecular chemistry","2026","24","14","2971","2980","10.1039/d6ob00173d","","x-ray","1.54184","CuKα","","0.053","0.051","","","0.1466","0.1495","","","","","","1.068","","","","has coordinates","305717","2026-05-04","23:39:43",""
"7161152","6.11553","0.00009","12.3395","0.0002","25.2572","0.0004","90","","90","","90","","1905.97","0.05","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 Br N4 O5 -","- C16 H19 Br N4 O5 -","- C64 H76 Br4 N16 O20 -","4","1","","Wang, Yakun; Du, Xiaoyu; Wang, Han; Kong, Xu; Tian, Jinghao; Zhang, Yuli; Liang, Jinying; Yang, Pengfei; Zhang, Tao","An organocatalytic enantioselective aza-Henry reaction of pyrazolone ketimines.","Organic & biomolecular chemistry","2026","24","14","3002","3008","10.1039/d6ob00412a","","","1.54184","CuKα","","0.0581","0.051","","","0.1317","0.1387","","","","","","1.053","","","","has coordinates,has disorder","305718","2026-05-04","23:40:01",""
"7161153","11.4445","0.0014","9.3612","0.0011","17.933","0.002","90","","106.037","0.004","90","","1846.5","0.4","273.15","","273.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H14 I N3 -","- C22 H14 I N3 -","- C88 H56 I4 N12 -","4","1","","Dhar, Tiyasa; Bera, Debasish; Halder, Supriyo; Mukhopadhyay, Chhanda","Microwave-assisted, acetic acid-catalyzed, metal-free synthesis of 5<i>H</i>-pyrazino[2,3-<i>b</i>]indoles <i>via</i> sequential C-C and C-N bond formation.","Organic & biomolecular chemistry","2026","24","15","3266","3273","10.1039/d6ob00100a","","","0.71073","MoKα","","0.0543","0.0379","","","0.0813","0.097","","","","","","1.085","","","","has coordinates","305719","2026-05-04","23:40:17",""
"7161154","17.7739","0.0011","34.284","0.002","12.0723","0.0008","90","","90","","90","","7356.4","0.8","273.15","","273.15","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C23 H15 F2 N3 -","- C23 H15 F2 N3 -","- C368 H240 F32 N48 -","16","1","","Dhar, Tiyasa; Bera, Debasish; Halder, Supriyo; Mukhopadhyay, Chhanda","Microwave-assisted, acetic acid-catalyzed, metal-free synthesis of 5<i>H</i>-pyrazino[2,3-<i>b</i>]indoles <i>via</i> sequential C-C and C-N bond formation.","Organic & biomolecular chemistry","2026","24","15","3266","3273","10.1039/d6ob00100a","","","0.71073","MoKα","","0.0604","0.0395","","","0.0983","0.1267","","","","","","1.234","","","","has coordinates","305719","2026-05-04","23:40:17",""
"7161155","10.928","0.0003","9.1501","0.0002","13.8574","0.0004","90","","103.782","0.001","90","","1345.74","0.06","296.15","","296.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","4'',7''-dihydrodispiro[cyclohexane-1,1'-isobenzofuran-3',2''-[1,3]dioxepine]-2,5-dien-4-one","","- C2.52 H2.07 O0.59 -","- C2.51852 H2.07407 O0.592593 -","- C68 H56 O16 -","27","6.75","","Kumar, Manoj; Singh, Shubham; Subramanian, Parthasarathi","Design and synthesis of aculeatin oxo-analogues and aculeatin natural products enabled by oxo-carbenium ion cyclization.","Organic & biomolecular chemistry","2026","24","15","3309","3317","10.1039/d6ob00165c","","x-ray","0.71073","MoKα","","0.0464","0.0391","","","0.0953","0.0995","","","","","","1.052","","","","has coordinates","305720","2026-05-04","23:40:39",""
"7161156","7.2783","0.0003","13.5508","0.0004","14.8298","0.0005","90","","101.097","0.003","90","","1435.27","0.09","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 Br N2 O -","- C17 H13 Br N2 O -","- C68 H52 Br4 N8 O4 -","4","1","","Zhang, Hong; Yue, Qi; Yao, Zhenyu; Yang, Zi; Cui, Xiuling","Radical bromination/cascade cyclization: a facile approach towards benzimidazole-fused isoquinolinones.","Organic & biomolecular chemistry","2026","24","21","4422","4425","10.1039/d6ob00380j","","","1.54184","CuKα","","0.0545","0.0433","","","0.1115","0.1214","","","","","","1.049","","","","has coordinates","306504","2026-06-05","19:33:56",""
"7161157","5.8928","0.0006","13.3792","0.0015","16.7377","0.0018","90","","90","","90","","1319.6","0.2","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H17 N3 O3 -","- C13 H17 N3 O3 -","- C52 H68 N12 O12 -","4","1","","Huang, Yu-Tong; Chang, Che-Chien","Intramolecular difunctionalization of alkynes involving cascade radical 1,4-heteroaryl migrations and formal total synthesis of a β-imidazolyl-γ-lactam alkaloid: isoanantine.","Organic & biomolecular chemistry","2026","24","21","4488","4494","10.1039/d6ob00554c","","","0.71073","MoKα","","0.0549","0.0414","","","0.0951","0.1066","","","","","","1.015","","","","has coordinates","306499","2026-06-05","19:33:25",""
"7161158","13.382","0.002","17.484","0.002","8.4966","0.001","90","","104.374","0.007","90","","1925.7","0.4","297","2","297","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C22 H18 Cl N O4 -","- C22 H18 Cl N O4 -","- C88 H72 Cl4 N4 O16 -","4","1","","Zhang, Yang; Li, Yuhan; Wei, Zhonglin; Zhang, Zhuoqi; Xiang, Jinbao; Zheng, Lianyou","Furan-2-carboxamides as dienes in a cascade S<sub>N</sub>2'/intramolecular Diels-Alder reaction with MBH carbonates.","Organic & biomolecular chemistry","2026","24","21","4449","4455","10.1039/d6ob00582a","","","0.71073","MoKα","","0.0507","0.045","","","0.1304","0.1411","","","","","","1.106","","","","has coordinates","306502","2026-06-05","19:33:46",""
"7161159","7.1733","0.0007","8.1294","0.0008","27.051","0.003","90","","93.592","0.004","90","","1574.4","0.3","170","","170","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H21 N O -","- C20 H21 N O -","- C80 H84 N4 O4 -","4","1","","Ye, Mao; Zhuo, Xiaoya; Tan, Xiangwen; Wu, Wanqing; Jiang, Huanfeng","Pd(II)-catalyzed oxidative cyclization of amino alcohols with 1,3-cyclohexadiene: a route to fused morpholine derivatives.","Organic & biomolecular chemistry","2026","24","20","4237","4241","10.1039/d6ob00613b","","","0.71073","MoKα","","0.0958","0.0594","","","0.1312","0.1563","","","","","","1.034","","","","has coordinates","306490","2026-06-05","19:32:26",""
"7161160","12.4472","0.0002","9.6213","0.0001","21.893","0.0002","90","","90","","90","","2621.87","0.06","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H12 Cl N O -","- C15 H12 Cl N O -","- C120 H96 Cl8 N8 O8 -","8","1","","Rai, Aditya; Singh, Krishna Nand","Base-promoted synthesis of α,β-unsaturated amides <i>via</i> C-N bond formation using α,β-unsaturated acids and isothiocyanates.","Organic & biomolecular chemistry","2026","24","20","4320","4324","10.1039/d6ob00514d","","","1.54184","CuKα","","0.0398","0.0345","","","0.1063","0.1128","","","","","","0.915","","","","has coordinates","306491","2026-06-05","19:32:38",""
"7161161","9.4569","0.0011","19.015","0.002","19.421","0.002","90","","90","","90","","3492.3","0.7","273.15","","273.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H19 N O2 Si -","- C19 H19 N O2 Si -","- C152 H152 N8 O16 Si8 -","8","1","","Sun, Yan; Lu, Ruiqiang; Zhou, Hang; Gao, Liuzhou; Wang, Yidong","Palladium-catalysed regioselective [4 + 2] annulation to access silatetralin-1-amines.","Organic & biomolecular chemistry","2026","24","21","4417","4421","10.1039/d6ob00525j","","","0.71073","MoKα","","0.1186","0.0562","","","0.1097","0.131","","","","","","1.011","","","","has coordinates","306501","2026-06-05","19:33:44",""
"7161162","10.2092","0.0004","11.3885","0.0005","12.3026","0.0005","69.271","0.001","68.902","0.001","69.006","0.001","1203.64","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H32 Cl3 N3 O3 -","- C23 H32 Cl3 N3 O3 -","- C46 H64 Cl6 N6 O6 -","2","1","","Flämig, Lea; Zhu, W. Felix; Hoffmann, Katharina; Daniliuc, Constantin Gabriel; Schepmann, Dirk; Glorius, Frank; Bermúdez, Marcel; Loser, Karin; Wuensch, Bernhard","Diastereoselective synthesis of 1,4,8-trisubstituted perhydroquinolines as novel kappa receptor agonists","Organic & Biomolecular Chemistry","2026","","","","","10.1039/D6OB00422A","","x-ray","0.71073","MoKα","","0.0476","0.0397","","","0.1026","0.1088","","","","","","1.033","","","","has coordinates","305945","2026-05-13","01:01:10",""
"7161163","9.4118","0.0003","9.4411","0.0003","19.4473","0.0006","93.921","0.002","94.27","0.002","115.72","0.003","1542.74","0.09","99.9","0.2","99.9","0.2","","","","","","","","5","P 1","P 1","1","","","","- C51 H96 N4 O19 Si4 -","- C51 H96 N4 O19 Si4 -","- C51 H96 N4 O19 Si4 -","1","1","","Biteau, Nicolas G.; Kasthuri, Mahesh; Patel, Dharmeshkumar; De, Ramyani; Schinazi, Raymond F.; Amblard, Franck","Stereoselective synthesis of 1'-α-cyano carbocyclic pyrimidine nucleoside analogs <i>via</i> a chelation-controlled 1'-α-hydroxymethylation strategy.","Organic & biomolecular chemistry","2026","24","21","4456","4462","10.1039/d6ob00377j","","x-ray","1.54184","CuKα","","0.065","0.0573","","","0.1223","0.126","","","","","","1.121","","","","has coordinates,has disorder","306507","2026-06-05","19:34:07",""
"7161164","9.62338","0.00016","13.4123","0.0002","22.2568","0.0003","86.3536","0.0013","87.1743","0.0013","85.7815","0.0013","2856.26","0.07","296","","296","","","","","","","","","5","P -1","-P 1","2","","rel-(1R,5R)-3-amino-1'-benzyl-2'-oxo-4-(3-oxoisobenzofuran-1(3H)-ylidene)-5-phenylspiro[cyclopentane-1,3'-indolin]-2-ene-2-carbonitrile","","- C69 H48 Cl2 N6 O6 -","- C68 H46 N6 O6 -","- C136 H92 N12 O12 -","2","1","","Guo, Peng-Xin; Du, Da-Ming","Synthesis of spirooxindoles by the catalytic tandem reaction of 2-arylidene-1,3-indanediones with 2-(2-oxoindolin-3-yl)malononitriles.","Organic & biomolecular chemistry","2026","24","21","4523","4528","10.1039/d6ob00433d","","x-ray","1.54184","CuKα","","0.0545","0.0454","","","0.1297","0.1368","","","","","","1.037","","","","has coordinates,has disorder","306503","2026-06-05","19:33:49",""
"7161165","8.2948","0.0003","13.5305","0.0005","24.0231","0.0009","90","","93.712","0.002","90","","2690.52","0.17","273.15","","273.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H32 N2 O5 -","- C31 H32 N2 O5 -","- C124 H128 N8 O20 -","4","1","","Miao, Yu; Xiao, Yang; Han, Xulin; Chen, Yao; Cao, Feilong; Zhuang, Hongzhi; Lin, Chunsheng; Jin, Yanli; Xu, Jianfeng; Chen, Xingkuan","Enantioselective Synthesis of Chiral 1,2-Oxazinane Spiro-oxindoles via Carbene-Catalyzed [3+3] Annulation of Isatin-Derived Nitrones with Enals","Organic & Biomolecular Chemistry","2026","","","","","10.1039/D6OB00603E","","","1.54178","CuKα","","0.0407","0.0387","","","0.0991","0.1003","","","","","","1.07","","","","has coordinates","305948","2026-05-13","01:01:44",""
"7161166","8.5093","0.0001","17.3102","0.0003","8.9737","0.0002","90","","92.984","0.002","90","","1320.01","0.04","169.99","0.1","169.99","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H37 O5 P -","- C29 H37 O5 P -","- C58 H74 O10 P2 -","2","1","","Wang, Yike; Chen, Xingkuan; Xu, Jianfeng","Construction of P-stereogenic phosphine oxides <i>via</i> Lewis base-catalyzed enantioselective <i>O</i>-Boc protection.","Organic & biomolecular chemistry","2026","24","21","4407","4411","10.1039/d6ob00546b","","x-ray","1.54184","CuKα","","0.0435","0.0419","","","0.1094","0.1117","","","","","","1.023","","","","has coordinates","306505","2026-06-05","19:33:59",""
"7161167","6.09258","0.00005","15.16109","0.00011","22.81474","0.00016","90","","90","","90","","2107.4","0.03","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","16-deoxysesteralterin","","","- C25 H38 O3 -","- C25 H38 O3 -","- C100 H152 O12 -","4","1","","Liu, Yue; Gan, Zhuo-Jia; Zhang, Zhong-Yuan; Zhao, Huan; Li, Shao-Yang; Wang, Gao-Qian; Chen, Guo-Dong; Awakawa, Takayoshi; Cao, Zhi-Qin; Lv, Jian-Ming; Hu, Dan; Gao, Hao","Identification of two multifunctional P450 enzymes for biosynthesis of sesteraltererol-type sesterterpenoids","Organic & Biomolecular Chemistry","2026","","","","","10.1039/D6OB00650G","","","1.54184","CuKα","","0.0304","0.0302","","","0.0762","0.0764","","","","","","1.076","","","","has coordinates","305950","2026-05-13","01:01:58",""
"7161168","8.80984","0.00005","8.03618","0.00009","15.32121","0.0001","90","","90.7124","0.0006","90","","1084.62","0.015","100.01","0.1","100.01","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","16-deoxy-episesteralterin","","","- C25 H38 O3 -","- C25 H38 O3 -","- C50 H76 O6 -","2","1","","Liu, Yue; Gan, Zhuo-Jia; Zhang, Zhong-Yuan; Zhao, Huan; Li, Shao-Yang; Wang, Gao-Qian; Chen, Guo-Dong; Awakawa, Takayoshi; Cao, Zhi-Qin; Lv, Jian-Ming; Hu, Dan; Gao, Hao","Identification of two multifunctional P450 enzymes for biosynthesis of sesteraltererol-type sesterterpenoids","Organic & Biomolecular Chemistry","2026","","","","","10.1039/D6OB00650G","","","1.54184","CuKα","","0.0278","0.0276","","","0.0733","0.0735","","","","","","1.058","","","","has coordinates","305950","2026-05-13","01:01:58",""
"7161169","13.2122","0.0001","9.6764","0.0001","18.3695","0.0002","90","","101.358","0.001","90","","2302.48","0.04","99.99","0.1","99.99","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","sesteralterin A","","","- C25 H40 O4 -","- C25 H40 O4 -","- C100 H160 O16 -","4","2","","Liu, Yue; Gan, Zhuo-Jia; Zhang, Zhong-Yuan; Zhao, Huan; Li, Shao-Yang; Wang, Gao-Qian; Chen, Guo-Dong; Awakawa, Takayoshi; Cao, Zhi-Qin; Lv, Jian-Ming; Hu, Dan; Gao, Hao","Identification of two multifunctional P450 enzymes for biosynthesis of sesteraltererol-type sesterterpenoids","Organic & Biomolecular Chemistry","2026","","","","","10.1039/D6OB00650G","","x-ray","1.54184","CuKα","","0.0312","0.0307","","","0.0824","0.0831","","","","","","1.041","","","","has coordinates","305950","2026-05-13","01:01:58",""
"7161170","13.1788","0.0006","8.0426","0.0004","19.529","0.0009","90","","108.991","0.002","90","","1957.25","0.16","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(4-benzyl-5,7-dimethoxy-1,1,2-trimethyl-1H-inden-3-yl)acetonitrile","","- C23 H25 N O2 -","- C23 H25 N O2 -","- C92 H100 N4 O8 -","4","1","","Kumar, Amit; Nanubolu, Jagadeesh Babu; Sudhakar, Gangarajula","Electrocyclization of arylvinyl β-hydroxyacetonitrile to substituted cyanomethyl indene derivatives.","Organic & biomolecular chemistry","2026","24","21","4508","4513","10.1039/d6ob00526h","","","0.71073","MoKα","","0.1091","0.0482","","","0.1161","0.1476","","","","","","1.013","","","","has coordinates","306506","2026-06-05","19:34:01",""
"7161171","7.7918","0.0009","21.075","0.003","7.839","0.001","90","","103.999","0.004","90","","1249","0.3","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","5a,6,6-trimethyltetrahydro-4H,7H-3a,7-methanofuro[3,2-c]benzofuran-2,4(3H)-dione","","- C14 H18 O4 -","- C14 H18 O4 -","- C56 H72 O16 -","4","1","","Tkachenko, Ilya Mikhailovich; Nezamutdinova, Kamila; Lodochnikova, Olga; Klimochkin, Yuri Nikolaevich","Terpenoid-derived β-ketoesters: acid-induced rearrangements in homocamphor series","Organic & Biomolecular Chemistry","2026","","","","","10.1039/D6OB00619A","","","0.71073","MoKα","","0.0427","0.0401","","","0.1068","0.1086","","","","","","1.135","","","","has coordinates","306002","2026-05-20","00:56:31",""
"7161172","9.0409","0.001","7.1271","0.0008","27.278","0.003","90","","95.896","0.003","90","","1748.4","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 Cl2 N4 O Pd -","- C16 H16 Cl2 N4 O Pd -","- C64 H64 Cl8 N16 O4 Pd4 -","4","1","","Gahlaut, Puneet Singh; Shekhawat, Bhawana; Lama, Prem; Jana, Barun","Synthesis of mesoionic carbene-triazole based Pd(II) complex: promoting C-H activation toward N-aryl carbazoles","Organic & Biomolecular Chemistry","2026","","","","","10.1039/D6OB00378H","","","0.71073","MoKα","","0.0582","0.0555","","","0.0984","0.0992","","","","","","1.441","","","","has coordinates","306003","2026-05-20","00:56:42",""
"7161173","14.9002","0.0004","20.4851","0.0004","18.1683","0.0004","90","","110.072","0.003","90","","5208.7","0.2","296.4","0.3","296.4","0.3","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","11-(Naphthalen-1-yl)-12-(p-tolylethynyl)naphtho[2,1-f]quinoxaline","","- C36 H23.5 N2.5 -","- C36 H23.5 N2.5 -","- C288 H188 N20 -","8","2","","Marchenko, Sergey S.; Sokha, Samita J.; Demidov, Oleg P.; Chernyshev, Anatoly V.; Metelitsa, Anatoly V.; Brig, Sergei S.; Prolomov, Ilya V.; Medvedev, Michael; Gulevskaya, Anna V.","Azine-fused [6]carbohelicenes: synthesis, crystal structure, stereoisomerism and optical properties","Organic & Biomolecular Chemistry","2026","","","","","10.1039/D6OB00620E","","x-ray","1.54184","CuKα","","0.0756","0.0607","","","0.1809","0.2015","","","","","","1.03","","","","has coordinates,has disorder","306053","2026-05-21","00:50:32",""
"7161174","13.697","0.0001","11.6361","0.0001","15.2661","0.0001","90","","97.95","0.001","90","","2409.72","0.03","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","6-(p-Tolyl)naphtho[2,1-f]phenanthro[4,3-h]quinoxaline","","- C35 H22 N2 -","- C35 H22 N2 -","- C140 H88 N8 -","4","1","","Marchenko, Sergey S.; Sokha, Samita J.; Demidov, Oleg P.; Chernyshev, Anatoly V.; Metelitsa, Anatoly V.; Brig, Sergei S.; Prolomov, Ilya V.; Medvedev, Michael; Gulevskaya, Anna V.","Azine-fused [6]carbohelicenes: synthesis, crystal structure, stereoisomerism and optical properties","Organic & Biomolecular Chemistry","2026","","","","","10.1039/D6OB00620E","","x-ray","1.54184","CuKα","","0.0448","0.0421","","","0.1159","0.1192","","","","","","1.046","","","","has coordinates","306053","2026-05-21","00:50:32",""
"7161175","7.2227","0.0001","25.4579","0.0003","30.8912","0.0004","106.962","0.001","92.977","0.001","94.039","0.001","5403.86","0.12","100","0.11","100","0.11","","","","","","","","3","P -1","-P 1","2","","20-(p-Tolyl)naphtho[2,1-a]phenanthro[4,3-c]phenazine","","- C39 H24 N2 -","- C39 H24 N2 -","- C312 H192 N16 -","8","4","","Marchenko, Sergey S.; Sokha, Samita J.; Demidov, Oleg P.; Chernyshev, Anatoly V.; Metelitsa, Anatoly V.; Brig, Sergei S.; Prolomov, Ilya V.; Medvedev, Michael; Gulevskaya, Anna V.","Azine-fused [6]carbohelicenes: synthesis, crystal structure, stereoisomerism and optical properties","Organic & Biomolecular Chemistry","2026","","","","","10.1039/D6OB00620E","","x-ray","1.54184","CuKα","","0.0455","0.041","","","0.1005","0.1036","","","","","","1.044","","","","has coordinates,has disorder","306053","2026-05-21","00:50:32",""
"7161176","7.558","0.0001","27.3194","0.0003","11.5192","0.0001","90","","96.026","0.001","90","","2365.34","0.05","99.8","0.3","99.8","0.3","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","17-(p-Tolyl)naphtho[2,1-f]phenanthro[4,3-h]quinoline","","- C36 H23 N -","- C36 H23 N -","- C144 H92 N4 -","4","1","","Marchenko, Sergey S.; Sokha, Samita J.; Demidov, Oleg P.; Chernyshev, Anatoly V.; Metelitsa, Anatoly V.; Brig, Sergei S.; Prolomov, Ilya V.; Medvedev, Michael; Gulevskaya, Anna V.","Azine-fused [6]carbohelicenes: synthesis, crystal structure, stereoisomerism and optical properties","Organic & Biomolecular Chemistry","2026","","","","","10.1039/D6OB00620E","","x-ray","1.54184","CuKα","","0.0463","0.0425","","","0.1072","0.1099","","","","","","1.063","","","","has coordinates","306053","2026-05-21","00:50:32",""
"7161177","26.6677","0.0003","7.9863","0.0001","23.8728","0.0003","90","","107.139","0.001","90","","4858.56","0.11","293","2","293","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","6-(p-Tolyl)naphtho[1,2-h]phenanthro[3,4-f]quinoline","","- C36 H23 N -","- C36 H23 N -","- C288 H184 N8 -","8","1","","Marchenko, Sergey S.; Sokha, Samita J.; Demidov, Oleg P.; Chernyshev, Anatoly V.; Metelitsa, Anatoly V.; Brig, Sergei S.; Prolomov, Ilya V.; Medvedev, Michael; Gulevskaya, Anna V.","Azine-fused [6]carbohelicenes: synthesis, crystal structure, stereoisomerism and optical properties","Organic & Biomolecular Chemistry","2026","","","","","10.1039/D6OB00620E","","x-ray","1.54184","CuKα","","0.0553","0.0471","","","0.1263","0.1361","","","","","","1.03","","","","has coordinates","306053","2026-05-21","00:50:32",""
"7161178","11.336","0.0008","7.344","0.0005","20.122","0.003","90","","90","","90","","1675.2","0.3","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","N-(2-(4-methyl-3-oxo-3,4-dihydroquinoxalin-2-yl)phenyl)thiophene-2-carboxamide","","- C20 H15 N3 O2 S -","- C20 H15 N3 O2 S -","- C80 H60 N12 O8 S4 -","4","1","","Sapra, Shivani; Singh, Sunil Kumar; Singh, Brajendra Kumar","Imine-Directed Ru(II)-Catalyzed ortho-C(sp²)–H Amidation of 3-Arylquinoxalin-2(1H)-ones via Nitrene Transfer from Acyl/Heteroacyl Azides","Organic & Biomolecular Chemistry","2026","","","","","10.1039/D6OB00532B","","x-ray","0.71073","MoKα","","0.1189","0.066","","","0.1739","0.2107","","","","","","1.041","","","","has coordinates","306074","2026-05-23","00:46:53",""
"7161179","16.0418","0.0007","24.9817","0.0012","25.6422","0.0011","90","","90","","90","","10276.1","0.8","100","","100","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","PTI Cl","","- C37.79 H44.92 Cl F17.95 N11.9 O0.66 P3 -","- C37.794 H44.921 Cl F17.95 N11.897 O0.659 P2.991 -","- C302.352 H359.368 Cl8 F143.6 N95.176 O5.272 P23.928 -","8","1","","Garcia, Arman C.; Lian, Uriani; Fasihianifard, Parisa; He, Lin; Julian, Ryan R.; Carta, Veronica; Chang, Chia-en A.; Hooley, Richard James","Cationic Imidazolium Macrocycles Enable Array-based, Site-Selective Optical Detection of Peptide Phosphorylation","Organic & Biomolecular Chemistry","2026","","","","","10.1039/D6OB00562D","","","1.54178","CuKα","","0.0953","0.0896","","","0.2142","0.2182","","","","","","1.076","","","","has coordinates,has disorder","306075","2026-05-23","00:47:02",""
"7161180","11.151","0.0004","5.3509","0.0003","43.3193","0.0017","90","","90","","90","","2584.8","0.2","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C28 H22 N2 O6 S2 -","- C28 H22 N2 O6 S2 -","- C112 H88 N8 O24 S8 -","4","1","","Naik C, Prajwal; Dutta, Saikat; B. S., Chethan; Kesthur Nataraju, Chethan Prathap; Krishnappagowda, Lokanath Neratur; Revanasiddappa, B. C.; Naveen Dsouza, Nitha","Nicotinic Acid-Catalyzed Synthesis of Novel Benzothiazoles and Benzimidazoles from Carbohydrate-Derived Furfurals: Structural, Computational, and Antimicrobial Studies","Organic & Biomolecular Chemistry","2026","","","","","10.1039/D6OB00468G","","","0.71073","MoKα","","0.0818","0.0539","","","0.1089","0.1219","","","","","","1.041","","","","has coordinates","306090","2026-05-26","00:50:50",""
"7161181","5.3983","0.0012","8.0437","0.0017","20.154","0.003","100.73","0.02","92.23","0.02","96.548","0.018","852.6","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H15 N O4 S -","- C20 H15 N O4 S -","- C40 H30 N2 O8 S2 -","2","1","","Naik C, Prajwal; Dutta, Saikat; B. S., Chethan; Kesthur Nataraju, Chethan Prathap; Krishnappagowda, Lokanath Neratur; Revanasiddappa, B. C.; Naveen Dsouza, Nitha","Nicotinic Acid-Catalyzed Synthesis of Novel Benzothiazoles and Benzimidazoles from Carbohydrate-Derived Furfurals: Structural, Computational, and Antimicrobial Studies","Organic & Biomolecular Chemistry","2026","","","","","10.1039/D6OB00468G","","","0.71073","MoKα","","0.1673","0.0929","","","0.2589","0.3572","","","","","","1.059","","","","has coordinates","306090","2026-05-26","00:50:50",""
"7161182","9.58611","0.00018","12.4288","0.0003","20.4263","0.0005","86.498","0.002","83.6531","0.0018","88.7926","0.0018","2413.98","0.1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H23 N O3 S -","- C30 H23 N O3 S -","- C120 H92 N4 O12 S4 -","4","2","","Chen, Zhichao; Jiang, Zhiyong; Lv, Fengjiao; Xie, Xiaolan","Photocatalytic radical addition/bicyclization of 1,7-enynes with N-sulfonylaminopyridinium salts/sulfamoyl chlorides: access to sulfonamide-containing benzo[a]fluoren-5-ones","Organic & Biomolecular Chemistry","2026","","","","","10.1039/D6OB00641H","","","0.71073","MoKα","","0.0753","0.0529","","","0.1243","0.1317","","","","","","1.072","","","","has coordinates","306109","2026-05-28","00:52:25",""
"7161183","13.9424","0.0004","5.9908","0.0002","8.9036","0.0003","90","","90","","90","","743.68","0.04","293","2","293","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","1H-Indole-3-carbonitrile","","- C9 H6 N2 -","- C9 H6 N2 -","- C36 H24 N8 -","4","1","","Gupta, Nikita; Ahmed, Imtiaz; Sarma, Plaban Jyoti; Neog, Shilpa; Phukan, Gauri sankar; Das, Vijay Kumar","Visible-light-driven metal-free iminyl radical cyanation for the synthesis of 3-cyanoindoles","Organic & Biomolecular Chemistry","2026","","","","","10.1039/D6OB00711B","","x-ray","1.54184","CuKα","","0.0426","0.0385","","","0.0949","0.0978","","","","","","1.145","","","","has coordinates","306120","2026-05-29","03:16:00",""
"7161184","4.77","0.005","21.58","0.02","13.886","0.014","90","","97.751","0.018","90","","1416","2","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H19 Cl F2 I2 N4 -","- C32 H19 Cl F2 I2 N4 -","- C64 H38 Cl2 F4 I4 N8 -","2","0.5","","Zhu, Yaping; Yu, Xinyan; Chen, Qinghua; Wang, Yong; Zhang, Liang; Zhao, He; Zhou, Changjian; Dai, Yong","Oxidative trifunctionalization of indoles with 2-aminobenzyl alcohols: access to iodo-indoloquinoline scaffolds","Organic & Biomolecular Chemistry","2026","","","","","10.1039/D6OB00682E","","","0.71073","MoKα","","0.1473","0.1034","","","0.2795","0.3078","","","","","","1.075","","","","has coordinates,has disorder","306121","2026-05-29","03:16:06",""
"7161185","9.1773","0.0003","9.3818","0.0003","10.6454","0.0003","68.467","0.001","77.763","0.001","79.644","0.001","827.96","0.04","303","","303","","","","","","","","","3","P -1","-P 1","2","","","","- C18 H18 O6 -","- C18 H18 O6 -","- C36 H36 O12 -","2","1","","He, Yong Qin; Ye, Yuzhen; Yao, Qiwei; Tu, Guogang; Zhao, Tiansheng; Qiu, Hao; Song, Jia; Tian, Wan-Fa; Zhang, Chunbo","Photochemical Reductive Coupling of α-Keto esters for Synthesizing 2,3-Diarylated Tartaric Acid Esters","Organic & Biomolecular Chemistry","2026","","","","","10.1039/D6OB00535G","","x-ray","0.71073","MoKα","","0.0574","0.0454","","","0.1228","0.133","","","","","","1.051","","","","has coordinates","306122","2026-05-29","03:16:23",""
"7161186","12.471","0.005","10.552","0.002","14.011","0.003","90","","95.55","0.02","90","","1835.1","0.9","298","2","298","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C18 H16 Cl2 O6 -","- C18 H16 Cl2 O6 -","- C72 H64 Cl8 O24 -","4","0.5","","He, Yong Qin; Ye, Yuzhen; Yao, Qiwei; Tu, Guogang; Zhao, Tiansheng; Qiu, Hao; Song, Jia; Tian, Wan-Fa; Zhang, Chunbo","Photochemical Reductive Coupling of α-Keto esters for Synthesizing 2,3-Diarylated Tartaric Acid Esters","Organic & Biomolecular Chemistry","2026","","","","","10.1039/D6OB00535G","","","0.71073","MoKα","","0.097","0.069","","","0.1765","0.2","","","","","","1.061","","","","has coordinates","306122","2026-05-29","03:16:23",""
"7161187","17.644","0.006","5.648","0.0018","12.488","0.004","90","","93.834","0.012","90","","1241.7","0.7","303","2","303","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H15 N2 S3 -","- C10 H15 N2 S3 -","- C40 H60 N8 S12 -","4","1","","Nor Za'ima, Syarifah Iliya; Mohamad, Mamduhah; Gorjian, Hayedeh; Johan, Mohd Rafie; Ghaffari Khaligh, Nader","Synthesis, characterization, and impact of carbon spacer on geometry and antibacterial activity of a new series of 1,n-bis(5-cycloalkylsulfenyl-1,3,4-thiadiazole-2-sulfenyl) alkanes (n = 4 and 6)","Organic & Biomolecular Chemistry","2026","","","","","10.1039/D6OB00750C","","","0.71073","MoKα","","0.0431","0.0347","","","0.085","0.0913","","","","","","1.037","","","","has coordinates","306123","2026-05-29","03:16:41",""
"7161188","10.5852","0.0004","10.6601","0.0004","12.5702","0.0005","67.988","0.002","73.696","0.002","61.663","0.002","1148.21","0.08","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H24 Br N5 O2 -","- C22 H24 Br N5 O2 -","- C44 H48 Br2 N10 O4 -","2","1","","Vereshchak, Vladyslav; Fadieieva, Sofia; Kasianenko, Yevhen; Saraiev, Viacheslav; Shvets, Olena; Musatov, Vladimir; Shishkina, Svitlana; Chebanov, Valentyn; Tsygankov, Alexander","Synthesis of azido-modified enamides <i>via</i> CC isomerisation of functionalised Ugi adducts.","Organic & biomolecular chemistry","2026","24","20","4264","4272","10.1039/d6ob00513f","","","0.71073","MoKα","","0.0557","0.0361","","","0.0777","0.0846","","","","","","1.028","","","","has coordinates","306137","2026-05-30","01:02:42",""
"7161189","13.0756","0.0009","9.4088","0.0007","18.7599","0.0013","90","","91.011","0.002","90","","2307.6","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H24 F3 N5 O2 -","- C23 H24 F3 N5 O2 -","- C92 H96 F12 N20 O8 -","4","1","","Vereshchak, Vladyslav; Fadieieva, Sofia; Kasianenko, Yevhen; Saraiev, Viacheslav; Shvets, Olena; Musatov, Vladimir; Shishkina, Svitlana; Chebanov, Valentyn; Tsygankov, Alexander","Synthesis of azido-modified enamides <i>via</i> CC isomerisation of functionalised Ugi adducts.","Organic & biomolecular chemistry","2026","24","20","4264","4272","10.1039/d6ob00513f","","","0.71073","MoKα","","0.0732","0.048","","","0.1116","0.1248","","","","","","1.028","","","","has coordinates","306137","2026-05-30","01:02:42",""
"7161190","9.8782","0.0008","9.9069","0.001","24.552","0.002","94.318","0.005","96.651","0.005","112.907","0.005","2179.2","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H24 Br Cl N2 O2 -","- C22 H24 Br Cl N2 O2 -","- C88 H96 Br4 Cl4 N8 O8 -","4","2","","Vereshchak, Vladyslav; Fadieieva, Sofia; Kasianenko, Yevhen; Saraiev, Viacheslav; Shvets, Olena; Musatov, Vladimir; Shishkina, Svitlana; Chebanov, Valentyn; Tsygankov, Alexander","Synthesis of azido-modified enamides <i>via</i> CC isomerisation of functionalised Ugi adducts.","Organic & biomolecular chemistry","2026","24","20","4264","4272","10.1039/d6ob00513f","","","0.71073","MoKα","","0.1319","0.1019","","","0.2604","0.2716","","","","","","1.086","","","","has coordinates","306137","2026-05-30","01:02:42",""
"7161191","8.4246","0.0006","6.8388","0.0006","15.3165","0.0018","90","","94.462","0.007","90","","879.77","0.14","170","","170","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H32 O4 -","- C20 H32 O4 -","- C40 H64 O8 -","2","1","","Yang, Zhen-Yu; Fan, Wen-Na; Song, Xiu-Qing; Fan, Yao Yue","Anti-adipogenic Cyathane Diterpenoids from Onychium japonicum","Organic & Biomolecular Chemistry","2026","","","","","10.1039/D6OB00575F","","","1.54178","CuKα","","0.1171","0.0785","","","0.2039","0.2433","","","","","","1.105","","","","has coordinates,has disorder","306158","2026-06-02","00:47:09",""
"7161192","11.3469","0.0011","13.996","0.0014","9.8736","0.001","90","","106.705","0.002","90","","1501.9","0.3","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C19 H15 N O4 -","- C19 H15 N O4 -","- C76 H60 N4 O16 -","4","1","","Wang, Zhan-Yong; Zhang, Can; Wang, Xiao-Tian; Sun, Xiao-Jin; Wang, Yi-Lin; Yang, Ting; Ma, Chenyang; Xia, Ran; Liu, Hongxin","NMM-promoted decarboxylative C(sp³)–C(sp³) coupling of coumarin-3-carboxylic acids and indolin-3-ones","Organic & Biomolecular Chemistry","2026","","","","","10.1039/D6OB00593D","","","0.71073","MoKα","","0.0304","0.0283","","","0.0662","0.0673","","","","","","1.07","","","","has coordinates","306172","2026-06-03","00:59:18",""
"7161193","9.2311","0.001","9.9852","0.0009","13.0327","0.0013","95.674","0.003","95.851","0.004","109.596","0.003","1114.4","0.19","263","2","263","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H27 N O3 S -","- C26 H27 N O3 S -","- C52 H54 N2 O6 S2 -","2","1","","Baire, Beeraiah; Gollachinnamola, Ramesh; Mishra, Surabhi","A Hydrido-Alkynyl-Prins Cyclization Using Isopropanol as Hydride Donor: Discovery, Scope and Mechanistic Study","Organic & Biomolecular Chemistry","2026","","","","","10.1039/D6OB00688D","","x-ray","0.71073","MoKα","","0.0563","0.0488","","","0.1187","0.1251","","","","","","1.053","","","","has coordinates,has disorder","306225","2026-06-05","01:33:18",""
"7161194","11.684","0.005","17.226","0.008","18.637","0.009","115.124","0.006","105.514","0.007","92.142","0.007","3223","3","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H44 B O2 P -","- C31 H44 B O2 P -","- C124 H176 B4 O8 P4 -","4","2","","Hu, Yue; Fu, Wenjing; Zhou, Mengyu; Xing, Haoyue; Meng, Sixuan; Chen, Jian; Chen, Qiong; Guo, Rui; Yu, Guang-Ao","Application of a 1-(2-aryl)dicyclohexylphosphonium tetrafluoroborate ligand in the conjugated synthesis of heteroaryl biphenyls","Organic & Biomolecular Chemistry","2026","","","","","10.1039/D6OB00698A","","","0.71073","MoKα","","0.1227","0.082","","","0.2273","0.2659","","","","","","1.001","","","","has coordinates","306226","2026-06-05","01:33:25",""
"7161195","7.4286","0.0003","11.6426","0.0005","13.5759","0.0006","75.889","0.004","85.711","0.004","77.911","0.004","1113.12","0.09","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H27 F3 -","- C30 H27 F3 -","- C60 H54 F6 -","2","1","","Bhedi, Dharmveer; Thirumoorthi, Ramalingam","Temperature-Directed in situ Generation of Fluorobenzyl Radicals: Utilization for the Complete Fluorobenzylation of Tri-, and Tetramethylbenzenes","Organic & Biomolecular Chemistry","2026","","","","","10.1039/D5OB01908G","","","1.54184","CuKα","","0.0352","0.03","","","0.0788","0.0819","","","","","","1.057","","","","has coordinates","306228","2026-06-05","01:33:47",""
"7161196","14.2539","0.0007","12.1767","0.0011","14.9909","0.0009","90","","117.205","0.007","90","","2314.1","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H27 F3 -","- C30 H27 F3 -","- C120 H108 F12 -","4","1","","Bhedi, Dharmveer; Thirumoorthi, Ramalingam","Temperature-Directed in situ Generation of Fluorobenzyl Radicals: Utilization for the Complete Fluorobenzylation of Tri-, and Tetramethylbenzenes","Organic & Biomolecular Chemistry","2026","","","","","10.1039/D5OB01908G","","","1.54184","CuKα","","0.0523","0.0474","","","0.1288","0.134","","","","","","1.046","","","","has coordinates","306228","2026-06-05","01:33:47",""
"7161197","8.8779","0.0003","12.2668","0.0004","8.197","0.0003","90","","90.55","0.003","90","","892.64","0.05","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 F2 -","- C24 H24 F2 -","- C48 H48 F4 -","2","0.5","","Bhedi, Dharmveer; Thirumoorthi, Ramalingam","Temperature-Directed in situ Generation of Fluorobenzyl Radicals: Utilization for the Complete Fluorobenzylation of Tri-, and Tetramethylbenzenes","Organic & Biomolecular Chemistry","2026","","","","","10.1039/D5OB01908G","","","1.54184","CuKα","","0.0317","0.0305","","","0.0774","0.0784","","","","","","1.053","","","","has coordinates","306228","2026-06-05","01:33:47",""
"7161198","12.7127","0.0005","7.6232","0.0002","24.2235","0.0011","90","","104.984","0.005","90","","2267.71","0.16","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C30 H27 F3 -","- C30 H27 F3 -","- C120 H108 F12 -","4","1","","Bhedi, Dharmveer; Thirumoorthi, Ramalingam","Temperature-Directed in situ Generation of Fluorobenzyl Radicals: Utilization for the Complete Fluorobenzylation of Tri-, and Tetramethylbenzenes","Organic & Biomolecular Chemistry","2026","","","","","10.1039/D5OB01908G","","","1.54184","CuKα","","0.043","0.0372","","","0.0974","0.1024","","","","","","1.052","","","","has coordinates","306228","2026-06-05","01:33:47",""
"7161199","9.0253","0.0003","12.1677","0.0005","8.1921","0.0004","90","","90.502","0.004","90","","899.6","0.06","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 F2 -","- C24 H24 F2 -","- C48 H48 F4 -","2","0.5","","Bhedi, Dharmveer; Thirumoorthi, Ramalingam","Temperature-Directed in situ Generation of Fluorobenzyl Radicals: Utilization for the Complete Fluorobenzylation of Tri-, and Tetramethylbenzenes","Organic & Biomolecular Chemistry","2026","","","","","10.1039/D5OB01908G","","","1.54184","CuKα","","0.0672","0.0624","","","0.1747","0.1779","","","","","","1.119","","","","has coordinates","306228","2026-06-05","01:33:47",""
"7161200","8.9527","0.0002","12.9658","0.0003","39.4592","0.0006","90","","94.496","0.002","90","","4566.29","0.16","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C55 H63 F4 O4 -","- C55 H56 F4 O4 -","- C220 H224 F16 O16 -","4","1","","Bhedi, Dharmveer; Thirumoorthi, Ramalingam","Temperature-Directed in situ Generation of Fluorobenzyl Radicals: Utilization for the Complete Fluorobenzylation of Tri-, and Tetramethylbenzenes","Organic & Biomolecular Chemistry","2026","","","","","10.1039/D5OB01908G","","","1.54184","CuKα","","0.1055","0.0752","","","0.2103","0.2327","","","","","","1.065","","","","has coordinates,has disorder","306228","2026-06-05","01:33:47",""
"7161201","8.3603","0.0002","9.5284","0.0003","11.2873","0.0004","90.299","0.003","100.79","0.003","94.031","0.003","880.91","0.05","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C23 H22 F2 -","- C23 H22 F2 -","- C46 H44 F4 -","2","1","","Bhedi, Dharmveer; Thirumoorthi, Ramalingam","Temperature-Directed in situ Generation of Fluorobenzyl Radicals: Utilization for the Complete Fluorobenzylation of Tri-, and Tetramethylbenzenes","Organic & Biomolecular Chemistry","2026","","","","","10.1039/D5OB01908G","","","1.54184","CuKα","","0.0454","0.0395","","","0.1041","0.1086","","","","","","1.075","","","","has coordinates","306228","2026-06-05","01:33:47",""
"7161202","9.7403","0.0001","11.5183","0.0001","24.497","0.0002","90","","100.249","0.001","90","","2704.51","0.04","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H33 F3 O3 -","- C33 H33 F3 O3 -","- C132 H132 F12 O12 -","4","1","","Bhedi, Dharmveer; Thirumoorthi, Ramalingam","Temperature-Directed in situ Generation of Fluorobenzyl Radicals: Utilization for the Complete Fluorobenzylation of Tri-, and Tetramethylbenzenes","Organic & Biomolecular Chemistry","2026","","","","","10.1039/D5OB01908G","","","1.54184","CuKα","","0.0431","0.0417","","","0.1093","0.1101","","","","","","1.052","","","","has coordinates","306228","2026-06-05","01:33:47",""
"7161203","9.6537","0.0011","15.3596","0.0018","8.5643","0.0009","90","","96.813","0.002","90","","1260.9","0.2","296.15","","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 Cl N2 -","- C14 H15 Cl N2 -","- C56 H60 Cl4 N8 -","4","1","","Han, Tong; Xu, Fenlian; Nie, Xinqiao; Wang, Dong","Direct C4-H Amination of Pyridines and Quinolines under Benign Conditions","Organic & Biomolecular Chemistry","2026","","","","","10.1039/D6OB00669H","","","0.71073","MoKα","","0.0697","0.0444","","","0.1148","0.1318","","","","","","1.05","","","","has coordinates","306229","2026-06-05","01:34:05",""
"7161204","14.131","0.0002","11.62229","0.00019","8.68459","0.00015","90","","97.7171","0.0015","90","","1413.39","0.04","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 O4 -","- C17 H20 O4 -","- C68 H80 O16 -","4","1","","Chien, Chia-Chen; Govada, Grace Victoria; Shen, Li-Ching; Wu, Yen-Ku","Recursive anionic γ'-spiro-annulation of cyclic vinylogous esters with 2-vinylbenzoates.","Organic & biomolecular chemistry","2026","24","17","3681","3685","10.1039/d6ob00163g","","x-ray","1.54184","CuKα","","0.0449","0.0412","","","0.1174","0.1209","","","","","","1.061","","","","has coordinates","306236","2026-06-05","06:10:02",""
"7161205","7.5012","0.0001","18.0028","0.0003","22.3143","0.0003","97.095","0.001","90.017","0.001","90.382","0.001","2990.24","0.08","100","0.1","100","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C18 H20 O3 -","- C18 H20 O3 -","- C144 H160 O24 -","8","4","","Chien, Chia-Chen; Govada, Grace Victoria; Shen, Li-Ching; Wu, Yen-Ku","Recursive anionic γ'-spiro-annulation of cyclic vinylogous esters with 2-vinylbenzoates.","Organic & biomolecular chemistry","2026","24","17","3681","3685","10.1039/d6ob00163g","","x-ray","1.54184","CuKα","","0.0669","0.0576","","","0.1616","0.1764","","","","","","1.112","","","","has coordinates","306236","2026-06-05","06:10:02",""
"7161206","15.719","0.004","10.479","0.003","21.491","0.007","90","","90","","90","","3540","1.8","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H14 N2 O3 S -","- C21 H14 N2 O3 S -","- C168 H112 N16 O24 S8 -","8","1","","Wang, Xueli; Li, Lijun; Yan, Qinqin; Wang, Zhenyi; Liu, Zexuan; Chen, Jingyi; Liu, Zhong-Quan; Li, Zejiang","Photo-induced thio/selenocyanation-annulation-rearrangement of indole-tethered 1,6-enynes.","Organic & biomolecular chemistry","2026","24","19","4016","4021","10.1039/d6ob00481d","","","0.71073","MoKα","","0.0831","0.0479","","","0.1043","0.1216","","","","","","1.035","","","","has coordinates","306237","2026-06-05","06:10:26",""
"7161207","9.6132","0.0003","9.9563","0.0003","11.416","0.0003","78.958","0.002","70.028","0.003","86.994","0.003","1007.82","0.06","276.36","0.1","276.36","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C24 H22 O6 -","- C24 H22 O6 -","- C48 H44 O12 -","2","1","","Xiang, Min; Dai, Xing-Xing; Wang, Guang-Wei; Jia, Yun-Qing; Shen, Li-Wen","Phosphine-mediated [2 + 1] cyclization of coumarins for the efficient construction of cyclopropa[<i>c</i>]coumarin scaffolds.","Organic & biomolecular chemistry","2026","24","18","3858","3862","10.1039/d6ob00204h","","x-ray","0.71073","MoKα","","0.0395","0.0336","","","0.0851","0.0889","","","","","","1.051","","","","has coordinates","306238","2026-06-05","06:11:21",""
"7161208","12.1371","0.0001","12.7554","0.0001","14.9353","0.0001","90","","90","","90","","2312.19","0.03","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H23 Br N2 O5 -","- C26 H23 Br N2 O5 -","- C104 H92 Br4 N8 O20 -","4","1","","Shan, Jing; Ke, Zhen-Fu; Qin, Lei; Cui, Bao-Dong; Zhao, Jiang-Yu; Chen, Yong-Zheng","Enantioselective [3 + 2] cycloaddition of spirocyclopropyloxindoles with 2-(phthalimido)acrylates: access to spirocyclopentaneoxindoles.","Organic & biomolecular chemistry","2026","24","18","3941","3946","10.1039/d6ob00398b","","x-ray","1.54184","CuKα","","0.0171","0.017","","","0.0454","0.0455","","","","","","1.03","","","","has coordinates","306239","2026-06-05","06:11:31",""
"7161209","11.22494","0.00005","11.22494","0.00005","40.151","0.0004","90","","90","","90","","5059","0.06","293","0.1","293","0.1","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C26 H23 Br N2 O5 -","- C26 H23 Br N2 O5 -","- C208 H184 Br8 N16 O40 -","8","1","","Shan, Jing; Ke, Zhen-Fu; Qin, Lei; Cui, Bao-Dong; Zhao, Jiang-Yu; Chen, Yong-Zheng","Enantioselective [3 + 2] cycloaddition of spirocyclopropyloxindoles with 2-(phthalimido)acrylates: access to spirocyclopentaneoxindoles.","Organic & biomolecular chemistry","2026","24","18","3941","3946","10.1039/d6ob00398b","","x-ray","1.54184","CuKα","","0.0287","0.0275","","","0.0787","0.0794","","","","","","1.021","","","","has coordinates","306239","2026-06-05","06:11:31",""
"7161210","10.6564","0.0002","10.6915","0.0003","21.0319","0.0004","90","","90","","90","","2396.23","0.09","293.01","0.1","293.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H23 Br N2 O5 -","- C26 H23 Br N2 O5 -","- C104 H92 Br4 N8 O20 -","4","1","","Shan, Jing; Ke, Zhen-Fu; Qin, Lei; Cui, Bao-Dong; Zhao, Jiang-Yu; Chen, Yong-Zheng","Enantioselective [3 + 2] cycloaddition of spirocyclopropyloxindoles with 2-(phthalimido)acrylates: access to spirocyclopentaneoxindoles.","Organic & biomolecular chemistry","2026","24","18","3941","3946","10.1039/d6ob00398b","","x-ray","1.54184","CuKα","","0.0479","0.0435","","","0.1233","0.1276","","","","","","1.072","","","","has coordinates,has disorder","306239","2026-06-05","06:11:31",""
"7161211","8.9195","0.0005","13.0385","0.0007","9.2973","0.0005","90","","97.357","0.002","90","","1072.35","0.1","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H25 F O -","- C29 H25 F O -","- C58 H50 F2 O2 -","2","1","","Hong, Gang; Nahide, Pradip D.; Patel, Wahiduddin G.; Kozlowski, Marisa C.","Cu-catalyzed oxidative coupling of alkylarenes with tertiary C(sp3)–H bonds via C–H activation","Organic & Biomolecular Chemistry","2026","","","","","10.1039/D6OB00723F","","","0.71073","MoKα","","0.0406","0.0354","","","0.0816","0.0847","","","","","","1.079","","","","has coordinates","306518","2026-06-06","01:15:56",""
"7161212","7.4093","0.0003","7.4847","0.0004","12.1426","0.0007","89.291","0.004","78.306","0.004","87.354","0.004","658.7","0.06","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","3-(2-chloro-4-fluorophenyl)-1-methylquinoxalin-2(1H)-one","","- C15 H10 Cl F N2 O -","- C15 H10 Cl F N2 O -","- C30 H20 Cl2 F2 N4 O2 -","2","1","","Monika, Monika; Kumar, Prashant; Singh, Brajendra Kumar","A Sustainable Photocatalytic Regioselective Halogenation of 1-Alkyl/Benzyl-3-Phenylquinoxalin-2(1H)-ones in Aqueous Media","Organic & Biomolecular Chemistry","2026","","","","","10.1039/D6OB00384B","","x-ray","0.71073","MoKα","","0.0862","0.0578","","","0.1686","0.1867","","","","","","1.107","","","","has coordinates","306519","2026-06-06","01:16:03",""
"7161213","6.8975","0.0007","31.1454","0.0018","7.4421","0.0007","90","","111.773","0.011","90","","1484.7","0.3","293","2","293","2","","","","","","","","6","I 1 a 1","I -2ya","9","","3-(2-bromophenyl)-6,7-dichloro-1-methylquinoxalin-2(1H)-one","","- C15 H9 Br Cl2 N2 O -","- C15 H9 Br Cl2 N2 O -","- C60 H36 Br4 Cl8 N8 O4 -","4","1","","Monika, Monika; Kumar, Prashant; Singh, Brajendra Kumar","A Sustainable Photocatalytic Regioselective Halogenation of 1-Alkyl/Benzyl-3-Phenylquinoxalin-2(1H)-ones in Aqueous Media","Organic & Biomolecular Chemistry","2026","","","","","10.1039/D6OB00384B","","x-ray","0.71073","MoKα","","0.127","0.0501","","","0.0988","0.1185","","","","","","0.989","","","","has coordinates","306519","2026-06-06","01:16:03",""
"7161214","14.9839","0.0005","9.4864","0.0004","17.481","0.0007","90","","98.127","0.002","90","","2459.85","0.17","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H30 N5 Ni O -","- C27 H30 N4 Ni O -","- C108 H120 N16 Ni4 O4 -","4","1","","Chaudhary, Virendra Kumar; Sharma, Keshav; Kukreti, Prashant; Singh, Sain; Ghosh, Kaushik","Metal-Ligand Cooperative Ni(II) Catalysis for One-Pot Access of Biologically Relevant Quinolines and Their Transfer Hydrogenation","Organic & Biomolecular Chemistry","2026","","","","","10.1039/D6OB00303F","","","0.71073","MoKα","","0.0802","0.0525","","","0.1465","0.1649","","","","","","1.05","","","","has coordinates","306521","2026-06-07","00:47:10",""
"7161215","32.228","0.009","5.7311","0.0013","16.854","0.005","90","","114.085","0.011","90","","2842","1.3","100","2","100.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H17 N O2 -","- C18 H17 N O2 -","- C144 H136 N8 O16 -","8","1","","Chaudhary, Virendra Kumar; Sharma, Keshav; Kukreti, Prashant; Singh, Sain; Ghosh, Kaushik","Metal-Ligand Cooperative Ni(II) Catalysis for One-Pot Access of Biologically Relevant Quinolines and Their Transfer Hydrogenation","Organic & Biomolecular Chemistry","2026","","","","","10.1039/D6OB00303F","","","0.71073","MoKα","","0.154","0.0601","","","0.0988","0.1563","","","","","","0.825","","","","has coordinates","306521","2026-06-07","00:47:10",""
"7161216","8.3482","0.0006","9.8084","0.0007","13.624","0.001","98.448","0.004","107.812","0.004","107.751","0.004","975.4","0.13","150","2","150","","","","","","","","","4","P -1","-P 1","2","","ethyl 3-oxo-2,4,4-triphenyl-1,2-diazetidine-1-carboxylate","","- C23 H20 N2 O3 -","- C23 H20 N2 O3 -","- C46 H40 N4 O6 -","2","1","","Song, Weihong; Ye, Yu-xiao; Wu, Jing-dong; Li, Jun-Jie; Jiang, Xiao-Mei; Zhao, Rong-bin; Yu, Wei-Guo; Xiang, Ziwei","Synthesis of aza-β-lactams via B(C6F5)3-catalyzed Wolff rearrangement/[2+2] cascade cyclization of α-diazoketones with diazenes","Organic & Biomolecular Chemistry","2026","","","","","10.1039/D6OB00455E","","","1.54178","CuKα","","0.0502","0.0391","","","0.0928","0.0995","","","","","","1.066","","","","has coordinates","306523","2026-06-09","00:47:13",""
"7161217","15.864","0.005","11.53","0.003","10.602","0.003","90","","95.905","0.01","90","","1928.9","1","149","2","149","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H19 F N2 O3 -","- C23 H19 F N2 O3 -","- C92 H76 F4 N8 O12 -","4","1","","Song, Weihong; Ye, Yu-xiao; Wu, Jing-dong; Li, Jun-Jie; Jiang, Xiao-Mei; Zhao, Rong-bin; Yu, Wei-Guo; Xiang, Ziwei","Synthesis of aza-β-lactams via B(C6F5)3-catalyzed Wolff rearrangement/[2+2] cascade cyclization of α-diazoketones with diazenes","Organic & Biomolecular Chemistry","2026","","","","","10.1039/D6OB00455E","","","1.54178","CuKα","","0.0619","0.0475","","","0.1239","0.1355","","","","","","1.062","","","","has coordinates","306523","2026-06-09","00:47:13",""
"7161218","11.8441","0.0003","12.1655","0.0003","12.5634","0.0003","64.953","0.003","78.227","0.002","76.682","0.002","1584.22","0.08","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","SJG-RY-05-P-METHOXY","","- C35 H35 N O5 S3 -","- C35 H35 N O5 S3 -","- C70 H70 N2 O10 S6 -","2","1","","Gharpure, Santosh J.; Yadav, Rakhi; Gupta, Krishna Suraj; Kadam, Girish P.","Aza-Prins Type Cyclisation of Vinyl Bis-Sulfide-Tethered Amines for the Collective Synthesis of Piperidine, Indolizidine and Isoindolone Natural Products","Organic & Biomolecular Chemistry","2026","","","","","10.1039/D6OB00883F","","x-ray","0.71073","MoKα","","0.0518","0.0406","","","0.1012","0.111","","","","","","1.044","","","","has coordinates","306540","2026-06-10","02:38:23",""
"7161219","32.7633","0.0009","9.4879","0.0003","17.0617","0.0006","90","","102.72","0.003","90","","5173.5","0.3","150","0.1","150","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H33 N O2 S3 -","- C29 H33 N O2 S3 -","- C232 H264 N8 O16 S24 -","8","1","","Gharpure, Santosh J.; Yadav, Rakhi; Gupta, Krishna Suraj; Kadam, Girish P.","Aza-Prins Type Cyclisation of Vinyl Bis-Sulfide-Tethered Amines for the Collective Synthesis of Piperidine, Indolizidine and Isoindolone Natural Products","Organic & Biomolecular Chemistry","2026","","","","","10.1039/D6OB00883F","","x-ray","0.71073","MoKα","","0.0562","0.0455","","","0.13","0.1428","","","","","","1.097","","","","has coordinates","306540","2026-06-10","02:38:23",""
"7161220","5.8153","0.0004","7.8399","0.0006","23.7777","0.0017","90","","90","","90","","1084.06","0.14","273","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H13 N O2 S -","- C10 H13 N O2 S -","- C40 H52 N4 O8 S4 -","4","1","","Mondal, Rahul; Mondal, Manas; Saha, Amit","Palladium-catalyzed Synthesis of S-Aryl Thiocarbamate via Desulfurative C-S Cross-coupling Reaction of Dithiocarbamates","Organic & Biomolecular Chemistry","2026","","","","","10.1039/D6OB00331A","","","0.71073","MoKα","","0.1382","0.0837","","","0.2107","0.3092","","","","","","1.204","","","","has coordinates","306541","2026-06-10","02:38:30",""
"7161221","11.4984","0.0007","22.3158","0.0013","7.6236","0.0004","90","","91.177","0.002","90","","1955.77","0.19","150","2","150","2","","","","","","","synthetised","4","C 1 c 1","C -2yc","9","CTB-2NMe","","","- C24 H26 N2 O3 -","- C24 H26 N2 O3 -","- C96 H104 N8 O12 -","4","1","","Château, Arsène; Vigier, Clement; Jarsale, Karine; Legay, Remi; Lohier, Jean-François; Sopkova de Oliveira Santos, Jana; Cailly, Thomas; Fabis, Frédéric; Dubost, Emmanuelle","Study of aza-and diaza-cyclotribenzylidenes conformations","Organic & Biomolecular Chemistry","2026","","","","","10.1039/D6OB00727A","","","0.71073","MoKα","","0.0917","0.0776","","","0.1999","0.2176","","","","","","1.058","","","","has coordinates","306563","2026-06-13","00:45:59",""
"7161222","7.97985","0.00018","10.8956","0.0002","11.7699","0.0002","78.5141","0.0017","88.9686","0.0017","72.6942","0.0019","956.52","0.03","132","15","132","15","","","","","","","","4","P -1","-P 1","2","CTB-1NMe","","","- C24 H25 N O3 -","- C24 H25 N O3 -","- C48 H50 N2 O6 -","2","1","","Château, Arsène; Vigier, Clement; Jarsale, Karine; Legay, Remi; Lohier, Jean-François; Sopkova de Oliveira Santos, Jana; Cailly, Thomas; Fabis, Frédéric; Dubost, Emmanuelle","Study of aza-and diaza-cyclotribenzylidenes conformations","Organic & Biomolecular Chemistry","2026","","","","","10.1039/D6OB00727A","","x-ray","1.54184","CuKα","","0.0553","0.0508","","","0.1441","0.1507","","","","","","1.066","","","","has coordinates,has disorder","306563","2026-06-13","00:45:59",""
"7161223","40.292","0.01","5.3016","0.0013","16.5","0.004","90","","90.446","0.007","90","","3524.5","1.5","294","2","294","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H16 Cl N3 O3 -","- C20 H16 Cl N3 O3 -","- C160 H128 Cl8 N24 O24 -","8","1","","Karthik, Sangepu; Basireddy, Venkata Subba Reddy; Dharani, Mettu; Sridhar, B.; Reddy, Pannala Padmaja","Rh(III)-catalyzed site selective hydroarylation of maleimides with 5-aryl-1,2,4-oxadiazole frameworks","Organic & Biomolecular Chemistry","2026","","","","","10.1039/D6OB00177G","","","0.71073","MoKα","","0.0647","0.0472","","","0.121","0.1318","","","","","","1.092","","","","has coordinates","306572","2026-06-16","00:51:40",""
"7161224","19.021","0.0003","19.021","0.0003","13.5011","0.0002","90","","90","","120","","4230.25","0.11","100","2","100","2","","","","","","","","5","P 61","P 61","169","","","","- C27 H23 Cl3 N5 O3 -","- C27 H23 Cl3 N5 O3 -","- C162 H138 Cl18 N30 O18 -","6","1","","Linnik, Stanislav A.; Molchanov, Alexander; Solov'ev, Denis V.; Konev, Alexander S.; Spiridonova, Dar'ya V.; Efremova, Mariia M.","N–N Ring Opening of Diazabicyclo[3.1.0]hexanes with Aryl Isocyanates and Isothiocyanates","Organic & Biomolecular Chemistry","2026","","","","","10.1039/D6OB00116E","","x-ray","1.54184","CuKα","","0.0644","0.0599","","","0.1636","0.1675","","","","","","1.041","","","","has coordinates,has disorder","306581","2026-06-17","00:54:26",""
"7161225","5.8212","0.0001","15.4764","0.0004","22.0939","0.0005","90","","91.022","0.002","90","","1990.15","0.08","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 Br2 N4 S3 -","- C18 H16 Br2 N4 S3 -","- C72 H64 Br8 N16 S12 -","4","1","","Linnik, Stanislav A.; Molchanov, Alexander; Solov'ev, Denis V.; Konev, Alexander S.; Spiridonova, Dar'ya V.; Efremova, Mariia M.","N–N Ring Opening of Diazabicyclo[3.1.0]hexanes with Aryl Isocyanates and Isothiocyanates","Organic & Biomolecular Chemistry","2026","","","","","10.1039/D6OB00116E","","x-ray","1.54184","CuKα","","0.0349","0.0342","","","0.089","0.0896","","","","","","1.117","","","","has coordinates","306581","2026-06-17","00:54:26",""
"7161226","24.58","0.0013","24.58","0.0013","4.0549","0.00012","90","","90","","120","","2121.65","0.17","123","","123","","","","","","","","","4","R 3 :H","R 3","146","1-naphthaldehyde cyanohydrin","2-Hydroxy-2-(naphthalen-1-yl)acetonitrile","","- C12 H9 N O -","- C12 H9 N O -","- C108 H81 N9 O9 -","9","1","","Kawasaki, Tsuneomi; Takamatsu, Naoya; Aiba, Shohei; Kim, Yong Du; Niikura, Kohei; Okumura, So; Inoue, Takumi; Tsunomori, Yosuke; Tanaka, Yudai; Kato, Masaki; Nemoto, Kenji; Tokunaga, Yuji","Replication of chiral α-hydroxy acid via induction and amplification through an enantioenriched cyanohydrin conglomerate","Organic & Biomolecular Chemistry","2026","","","","","10.1039/D6OB00652C","","","1.54187","CuKα","","0.0273","0.0267","","","0.0694","0.0697","","","","","","1.058","","","","has coordinates","306598","2026-06-19","01:32:06",""
"7161227","32.423","0.013","5.8134","0.0017","11.07","0.004","90","","105.377","0.016","90","","2011.9","1.2","293","","293","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-Hydroxy-2-(naphthalen-1-yl)acetamide","","- C12 H11 N O2 -","- C12 H11 N O2 -","- C96 H88 N8 O16 -","8","1","","Kawasaki, Tsuneomi; Takamatsu, Naoya; Aiba, Shohei; Kim, Yong Du; Niikura, Kohei; Okumura, So; Inoue, Takumi; Tsunomori, Yosuke; Tanaka, Yudai; Kato, Masaki; Nemoto, Kenji; Tokunaga, Yuji","Replication of chiral α-hydroxy acid via induction and amplification through an enantioenriched cyanohydrin conglomerate","Organic & Biomolecular Chemistry","2026","","","","","10.1039/D6OB00652C","","","0.71075","MoKα","","0.1689","0.0648","","","0.1434","0.1927","","","","","","0.961","","","","has coordinates","306598","2026-06-19","01:32:06",""
"7161228","12.0395","0.001","23.364","0.002","8.0029","0.0006","90","","125.292","0.002","90","","1837.4","0.3","100","","100","","","","","","","","","3","C 1 c 1","C -2yc","9","","SEN145","","- C2 H N9 -","- C2 H N9 -","- C24 H12 N108 -","12","3","","Nehe, Sagar; Dharavath, Srinivas","Single-Step Synthesis of 3,5-diazido 1,2,4-triazole: Environmentally Benign High-Performance Primary Explosives","Organic & Biomolecular Chemistry","2026","","","","","10.1039/D6OB00777E","","","0.71073","MoKα","","0.0266","0.0257","","","0.0672","0.0684","","","","","","1.058","","","","has coordinates","306605","2026-06-20","01:24:22",""
"7161229","8.327","0.004","8.873","0.003","13.494","0.006","87.287","0.013","72.854","0.011","66.15","0.01","868.4","0.6","100","0.5","100","0.5","","","","","","","","4","P -1","-P 1","2","","3-(diethylamino)-9-ethanone-6H-chromeno[4,3-b]quinolin-6-one","","- C22 H20 N2 O3 -","- C22 H20 N2 O3 -","- C44 H40 N4 O6 -","2","1","","Hosen, Nazmul; Case, Leah; Dukette, Sadira; Pokhrel, Nishrenika; Wallace, Karl","Synthesis of 7-(Diethylamino)-Chromene-fused Quinolines and 7-(Diethylamino)-4-Amino-3-Formyl-Coumarin Derivatives, Structural Elucidation, and Photophysical Properties","Organic & Biomolecular Chemistry","2026","","","","","10.1039/D6OB00880A","","","0.56086","AgKα","","0.0924","0.0583","","","0.1418","0.1696","","","","","","1.011","","","","has coordinates","306613","2026-06-23","00:45:36",""
"7161230","12.1464","0.0003","7.5016","0.0002","20.9742","0.0006","90","","92.301","0.002","90","","1909.57","0.09","100","0.5","100","0.5","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 N2 O4 -","- C22 H22 N2 O4 -","- C88 H88 N8 O16 -","4","1","","Hosen, Nazmul; Case, Leah; Dukette, Sadira; Pokhrel, Nishrenika; Wallace, Karl","Synthesis of 7-(Diethylamino)-Chromene-fused Quinolines and 7-(Diethylamino)-4-Amino-3-Formyl-Coumarin Derivatives, Structural Elucidation, and Photophysical Properties","Organic & Biomolecular Chemistry","2026","","","","","10.1039/D6OB00880A","","","1.54184","CuKα","","0.0418","0.0353","","","0.0903","0.0941","","","","","","1.044","","","","has coordinates,has disorder","306613","2026-06-23","00:45:36",""
"7161231","8.9955","0.0005","16.3014","0.0008","10.2924","0.0004","90","","99.572","0.002","90","","1488.26","0.12","298","","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 Br N O -","- C18 H14 Br N O -","- C72 H56 Br4 N4 O4 -","4","1","","Ghosh, Subhash Chandra; Yadav, Anil K.; Thakur, Dinesh Gopichand; Sonawane, Mahesh A.","Palladium-Catalyzed Chelation-Assisted C-H Functionalization of Quinoline Aldehydes to Esters with Mechanistic Insights","Organic & Biomolecular Chemistry","2026","","","","","10.1039/D6OB00752J","","","0.71073","MoKα","","0.1051","0.042","","","0.1201","0.1532","","","","","","1.016","","","","has coordinates","306646","2026-06-25","01:43:05",""
"7161232","8.0758","0.0003","8.2847","0.0003","20.1164","0.0007","93.239","0.001","93.031","0.001","96.752","0.002","1332.02","0.08","298","2","298","","","","","","","","","4","P -1","-P 1","2","","","","- C17 H13 N O2 -","- C17 H13 N O2 -","- C68 H52 N4 O8 -","4","2","","Ghosh, Subhash Chandra; Yadav, Anil K.; Thakur, Dinesh Gopichand; Sonawane, Mahesh A.","Palladium-Catalyzed Chelation-Assisted C-H Functionalization of Quinoline Aldehydes to Esters with Mechanistic Insights","Organic & Biomolecular Chemistry","2026","","","","","10.1039/D6OB00752J","","","0.71073","MoKα","","0.089","0.0565","","","0.1469","0.1748","","","","","","1.058","","","","has coordinates","306646","2026-06-25","01:43:05",""
"7161233","25.781","0.004","10.5972","0.0014","11.9474","0.0019","90","","95.454","0.007","90","","3249.3","0.8","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H15 N O -","- C22 H15 N O -","- C176 H120 N8 O8 -","8","2","","Ghosh, Subhash Chandra; Yadav, Anil K.; Thakur, Dinesh Gopichand; Sonawane, Mahesh A.","Palladium-Catalyzed Chelation-Assisted C-H Functionalization of Quinoline Aldehydes to Esters with Mechanistic Insights","Organic & Biomolecular Chemistry","2026","","","","","10.1039/D6OB00752J","","","0.71073","MoKα","","0.0983","0.0642","","","0.1659","0.1907","","","","","","1.1","","","","has coordinates","306646","2026-06-25","01:43:05",""
"7161234","27.3885","0.0009","27.3885","0.0009","13.8538","0.0004","90","","90","","120","","8999.9","0.5","100","2","100","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C25 H24.33 O4 -","- C24 H22 O4 -","- C432 H396 O72 -","18","1","","Wang, Junying; Nolan, Steven P.; Voloshkin, Vladislav; Cavallo, Luigi; Dutta, Sayan; zhao, yuan; Ruggiero, Tommaso; Van Hecke, Kristof; Maity, Bholanath","Synthesis of polymethylene-linked bis(cyclobutane-fused chromanones) mediated by gold-photocatalysis","Organic & Biomolecular Chemistry","2026","","","","","10.1039/D6OB00903D","","","1.54184","CuKα","","0.0677","0.0538","","","0.1265","0.1363","","","","","","1.025","","","","has coordinates","306658","2026-06-26","02:19:52",""
"7161235","7.3385","0.0007","8.8458","0.001","16.268","0.003","75.089","0.012","88.658","0.01","86.199","0.008","1018.2","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","1-(4-bromophenyl)-2-ethoxy-2-oxoethyl 6-methoxy-1H-indole-3-carboxylate","","- C20 H18 Br N O5 -","- C20 H17 Br N O5 -","- C40 H34 Br2 N2 O10 -","2","1","","Mohit, ?; Sharma, Ritika; Rawat, Diwan S.","Metal-free O-H insertion enables access to heterocycle-rich α-carbonyloxy esters.","Organic & biomolecular chemistry","2026","","","","","10.1039/d6ob00779a","","x-ray","0.71073","MoKα","","0.2442","0.1245","","","0.3119","0.3437","","","","","","1.523","","","","has coordinates","306673","2026-06-28","01:26:10",""
"7161236","9.5158","0.0006","11.4496","0.0006","11.6356","0.0007","66.982","0.005","72.135","0.005","72.169","0.005","1085.14","0.12","297","0.6","297","0.6","","","","","","","","5","P -1","-P 1","2","","3u","","- C25 H18 Cl N O5 -","- C25 H18 Cl N O5 -","- C50 H36 Cl2 N2 O10 -","2","1","","Mohit, ?; Sharma, Ritika; Rawat, Diwan S.","Metal-free O-H insertion enables access to heterocycle-rich α-carbonyloxy esters.","Organic & biomolecular chemistry","2026","","","","","10.1039/d6ob00779a","","x-ray","0.71073","MoKα","","0.0664","0.0442","","","0.1428","0.1576","","","","","","1.008","","","","has coordinates","306673","2026-06-28","01:26:10",""
"7161237","10.5755","0.0008","13.4305","0.0009","10.2592","0.0008","90","","110.985","0.009","90","","1360.51","0.19","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","2-ethoxy-2-oxo-1-phenylethyl 4,5-dihydrothiophene-3-carboxylate","","- C14.95 H12.95 O4 S -","- C14 H12 O4 S -","- C56 H48 O16 S4 -","4","1","","Mohit, ?; Sharma, Ritika; Rawat, Diwan S.","Metal-free O-H insertion enables access to heterocycle-rich α-carbonyloxy esters.","Organic & biomolecular chemistry","2026","","","","","10.1039/d6ob00779a","","x-ray","0.71073","MoKα","","0.0943","0.086","","","0.2316","0.2401","","","","","","1.409","","","","has coordinates","306673","2026-06-28","01:26:10",""
"7161238","10.576","0.0006","11.0774","0.0005","13.2454","0.0008","90","","105.343","0.006","90","","1496.45","0.15","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","drs-159","","- C15 H13 Br N2 O4 -","- C15 H13 Br N2 O4 -","- C60 H52 Br4 N8 O16 -","4","1","","Mohit, ?; Sharma, Ritika; Rawat, Diwan S.","Metal-free O-H insertion enables access to heterocycle-rich α-carbonyloxy esters.","Organic & biomolecular chemistry","2026","","","","","10.1039/d6ob00779a","","x-ray","0.71073","MoKα","","0.075","0.0426","","","0.1215","0.1395","","","","","","0.911","","","","has coordinates","306673","2026-06-28","01:26:10",""
"7161239","8.3925","0.0004","9.7277","0.0004","20.5835","0.0009","90","","93.649","0.002","90","","1677.02","0.13","300","2","300","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 N2 O3 -","- C20 H18 N2 O3 -","- C80 H72 N8 O12 -","4","1","","Montiège, Ophélie; Zuo, Elisa; Brière, Jean-François; Beucher, Hélène","Oxidative Electrochemical Addition of Cyclic 1,3-Dicarbonyls to Alkenes","Organic & Biomolecular Chemistry","2026","","","","","10.1039/D6OB00755D","","x-ray","0.71073","MoKα","","0.0735","0.0573","","","0.1657","0.1759","","","","","","1.032","","","","has coordinates","306674","2026-06-28","01:26:25",""
"7251056","14.5096","0.0009","17.8805","0.0011","10.3906","0.0006","90","","110.379","0.002","90","","2527","0.3","200","","200","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 N2 O2 -","- C16 H12 N2 O2 -","- C128 H96 N16 O16 -","8","2","","Constantin, Ana M.; Mele, Francesco; Botla, Vinayak; Ca', Nicola Della; Maggi, Raimondo; Maestri, Giovanni; Cerveri, Alessandro; Sundermann, Remie M.; Cauzzi, Daniele; Pancrazzi, Francesco; Mazzeo, Paolo P.","A deep dive into mechanochemical organic reactions by accurate crystallographic analysis via TAAM refinement","CrystEngComm","2026","28","13","2029","2035","10.1039/D5CE00677E","","","0.71073","MoKα","","0.0559","0.0438","","","0.0885","0.0934","","","","","","1.142","","","","has coordinates","305343","2026-04-05","11:58:50",""
"7251057","11.954","0.002","7.454","0.002","15.468","0.003","90","","95.33","0.03","90","","1372.3","0.5","294","2","294.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 N2 O2 -","- C17 H14 N2 O2 -","- C68 H56 N8 O8 -","4","1","","Constantin, Ana M.; Mele, Francesco; Botla, Vinayak; Ca', Nicola Della; Maggi, Raimondo; Maestri, Giovanni; Cerveri, Alessandro; Sundermann, Remie M.; Cauzzi, Daniele; Pancrazzi, Francesco; Mazzeo, Paolo P.","A deep dive into mechanochemical organic reactions by accurate crystallographic analysis via TAAM refinement","CrystEngComm","2026","28","13","2029","2035","10.1039/D5CE00677E","","","0.71073","MoKα","","0.0429","0.039","","","0.1115","0.1168","","","","","","1.058","","","","has coordinates,has disorder","305343","2026-04-05","11:58:50",""
"7251080","6.4378","0.0002","7.2041","0.0002","19.8873","0.0008","94.374","0.003","90.518","0.003","94.324","0.002","916.94","0.05","153","","153","","","","","","","","","4","P -1","-P 1","2","","","","- C10 H3 F5 S -","- C10 H3 F5 S -","- C40 H12 F20 S4 -","4","2","","Yonezawa, Takeharu; Ito, Hajime; Jin, Mingoo","Systematic investigation of the effect of trialkylsilyl groups on the crystal structures of perfluorophenyl-substituted thiophene","CrystEngComm","2026","28","2","390","395","10.1039/D5CE00898K","","x-ray","1.54184","CuKα","","0.1179","0.1108","","","0.3371","0.3419","","","","","","1.154","","","","has coordinates","304897","2026-03-05","12:38:06",""
"7251081","8.5617","0.0003","19.8126","0.0006","11.6723","0.0004","90","","94.529","0.003","90","","1973.78","0.11","153","","153","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H23 F5 S Si -","- C19 H23 F5 S Si -","- C76 H92 F20 S4 Si4 -","4","1","","Yonezawa, Takeharu; Ito, Hajime; Jin, Mingoo","Systematic investigation of the effect of trialkylsilyl groups on the crystal structures of perfluorophenyl-substituted thiophene","CrystEngComm","2026","28","2","390","395","10.1039/D5CE00898K","","x-ray","1.54184","CuKα","","0.0761","0.0723","","","0.2104","0.2166","","","","","","1.092","","","","has coordinates","304897","2026-03-05","12:38:09",""
"7251082","30.7633","0.0003","6.8541","0.0001","13.4097","0.0002","90","","90","","90","","2827.5","0.07","153","","153","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C13 H11 F5 S Si -","- C13 H11 F5 S Si -","- C104 H88 F40 S8 Si8 -","8","2","","Yonezawa, Takeharu; Ito, Hajime; Jin, Mingoo","Systematic investigation of the effect of trialkylsilyl groups on the crystal structures of perfluorophenyl-substituted thiophene","CrystEngComm","2026","28","2","390","395","10.1039/D5CE00898K","","x-ray","1.54184","CuKα","","0.0358","0.0344","","","0.0913","0.0924","","","","","","1.081","","","","has coordinates","304897","2026-03-05","12:38:15",""
"7251083","7.453","0.0003","7.5747","0.0002","17.1723","0.0005","85.62","0.002","80.227","0.003","61.642","0.004","840.72","0.06","153","","153","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H17 F5 S Si -","- C16 H17 F5 S Si -","- C32 H34 F10 S2 Si2 -","2","1","","Yonezawa, Takeharu; Ito, Hajime; Jin, Mingoo","Systematic investigation of the effect of trialkylsilyl groups on the crystal structures of perfluorophenyl-substituted thiophene","CrystEngComm","2026","28","2","390","395","10.1039/D5CE00898K","","x-ray","1.54184","CuKα","","0.0442","0.0391","","","0.1131","0.1165","","","","","","1.126","","","","has coordinates","304897","2026-03-05","12:38:16",""
"7251220","13.5803","0.0014","13.5803","0.0014","11.6172","0.0017","90","","90","","90","","2142.5","0.4","295","2","295","","","","","","","","","4","P 43","P 4cw","78","","","","- C27 H26 N2 O -","- C27 H26 N2 O -","- C108 H104 N8 O4 -","4","1","","Saha, Subhajit; Bag, Soumya Ranjan; Akhir, Abdul; Saxena, Deepanshi; Maitra, Rahul; Chopra, Sidharth; Jana, Chandan K.","Metal-free stereoselective C(sp3)–H indolation of N-heterocycles to potent antimicrobial non-canonical tryp–pro hybrids","Green Chemistry","2026","28","1","365","374","10.1039/D5GC04622J","","","0.71073","MoKα","","0.0574","0.0498","","","0.1358","0.1467","","","","","","1.093","","","","has coordinates","304931","2026-03-05","12:58:57",""
"7251221","12.203","0.003","7.0304","0.0014","12.614","0.003","90","","103.755","0.007","90","","1051.1","0.4","298","2","298","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H24 N2 O2 -","- C26 H24 N2 O2 -","- C52 H48 N4 O4 -","2","1","","Saha, Subhajit; Bag, Soumya Ranjan; Akhir, Abdul; Saxena, Deepanshi; Maitra, Rahul; Chopra, Sidharth; Jana, Chandan K.","Metal-free stereoselective C(sp3)–H indolation of N-heterocycles to potent antimicrobial non-canonical tryp–pro hybrids","Green Chemistry","2026","28","1","365","374","10.1039/D5GC04622J","","","0.71073","MoKα","","0.0547","0.0508","","","0.1203","0.1227","","","","","","1.141","","","","has coordinates","304931","2026-03-05","12:58:57",""
"7251222","10.2031","0.0011","18.048","0.002","12.5014","0.0014","90","","109.1","0.003","90","","2175.3","0.4","295.15","","295.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H26 N2 -","- C28 H26 N2 -","- C112 H104 N8 -","4","1","","Saha, Subhajit; Bag, Soumya Ranjan; Akhir, Abdul; Saxena, Deepanshi; Maitra, Rahul; Chopra, Sidharth; Jana, Chandan K.","Metal-free stereoselective C(sp3)–H indolation of N-heterocycles to potent antimicrobial non-canonical tryp–pro hybrids","Green Chemistry","2026","28","1","365","374","10.1039/D5GC04622J","","","0.71073","MoKα","","0.0834","0.0634","","","0.1543","0.1709","","","","","","1.096","","","","has coordinates","304931","2026-03-05","12:58:57",""
"7251223","9.1088","0.0003","10.6818","0.0004","23.1277","0.0009","90","","95.527","0.001","90","","2239.83","0.14","299","2","299","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 N2 O2 -","- C28 H26 N2 O2 -","- C112 H104 N8 O8 -","4","1","","Saha, Subhajit; Bag, Soumya Ranjan; Akhir, Abdul; Saxena, Deepanshi; Maitra, Rahul; Chopra, Sidharth; Jana, Chandan K.","Metal-free stereoselective C(sp3)–H indolation of N-heterocycles to potent antimicrobial non-canonical tryp–pro hybrids","Green Chemistry","2026","28","1","365","374","10.1039/D5GC04622J","","","0.71073","MoKα","","0.0489","0.0395","","","0.0918","0.1016","","","","","","1.095","","","","has coordinates","304931","2026-03-05","12:58:57",""
"7251224","9.8144","0.0009","8.2022","0.0007","22.949","0.002","90","","100.027","0.004","90","","1819.2","0.3","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H19 N O -","- C26 H19 N O -","- C104 H76 N4 O4 -","4","1","","Yang, Shaoxiong; Zhu, Yanren; Pu, Enfan; Jiang, Piaopiao; Li, Xiong; Zhang, Hongbin; Chen, Jingbo","Linear paired electrolysis enabled dearomative [3 + 2] cycloadditions of indoles and benzofurans with vinyl azides","Green Chemistry","2026","28","1","343","350","10.1039/D5GC04148A","","x-ray","0.71073","MoKα","","0.1026","0.0626","","","0.1121","0.1303","","","","","","1.114","","","","has coordinates","304932","2026-03-05","12:59:22",""
"7251225","23.3054","0.0007","9.0717","0.0003","21.5229","0.0008","90","","111.995","0.001","90","","4219.2","0.2","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C27 H26 N2 O2 -","- C27 H26 N2 O2 -","- C216 H208 N16 O16 -","8","1","","Yang, Shaoxiong; Zhu, Yanren; Pu, Enfan; Jiang, Piaopiao; Li, Xiong; Zhang, Hongbin; Chen, Jingbo","Linear paired electrolysis enabled dearomative [3 + 2] cycloadditions of indoles and benzofurans with vinyl azides","Green Chemistry","2026","28","1","343","350","10.1039/D5GC04148A","","x-ray","0.71073","MoKα","","0.0623","0.046","","","0.098","0.1073","","","","","","1.053","","","","has coordinates","304932","2026-03-05","12:59:22",""
"7251226","10.7771","0.0005","15.1534","0.0006","12.5418","0.0005","90","","105.628","0.002","90","","1972.48","0.15","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 Br N2 O2 -","- C22 H23 Br N2 O2 -","- C88 H92 Br4 N8 O8 -","4","1","","Yang, Shaoxiong; Zhu, Yanren; Pu, Enfan; Jiang, Piaopiao; Li, Xiong; Zhang, Hongbin; Chen, Jingbo","Linear paired electrolysis enabled dearomative [3 + 2] cycloadditions of indoles and benzofurans with vinyl azides","Green Chemistry","2026","28","1","343","350","10.1039/D5GC04148A","","x-ray","0.71073","MoKα","","0.0378","0.0283","","","0.0598","0.0641","","","","","","1.032","","","","has coordinates","304932","2026-03-05","12:59:23",""
"7251227","18.0371","0.0007","10.3994","0.0004","17.8291","0.0006","90","","117.232","0.001","90","","2973.62","0.19","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 N O -","- C20 H19 N O -","- C160 H152 N8 O8 -","8","2","","Yang, Shaoxiong; Zhu, Yanren; Pu, Enfan; Jiang, Piaopiao; Li, Xiong; Zhang, Hongbin; Chen, Jingbo","Linear paired electrolysis enabled dearomative [3 + 2] cycloadditions of indoles and benzofurans with vinyl azides","Green Chemistry","2026","28","1","343","350","10.1039/D5GC04148A","","x-ray","0.71073","MoKα","","0.0691","0.0507","","","0.1077","0.1193","","","","","","1.051","","","","has coordinates","304932","2026-03-05","12:59:24",""
"7251237","4.8568","0.0002","7.9049","0.0003","18.9454","0.0009","79.632","0.002","87.383","0.002","77.432","0.001","698.33","0.05","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H25 N19 O14 -","- C16 H25 N19 O14 -","- C16 H25 N19 O14 -","1","0.5","","Jiang, Xiu'e; Xu, Zeyu; Fan, Mingren; Wang, Ruihui; Wang, Yi; Zhang, Qinghua","Synthesis of energetic materials derived from hydroxynitropyrazine","CrystEngComm","2026","28","1","163","168","10.1039/D5CE01009H","","","0.71073","MoKα","","0.0782","0.0517","","","0.123","0.1411","","","","","","1.058","","","","has coordinates,has disorder","304891","2026-03-05","12:35:01",""
"7251238","7.8258","0.0019","8.446","0.002","10.152","0.002","90.324","0.008","100.963","0.008","116.811","0.007","584.7","0.2","170","","170","","","","","","","","","6","P -1","-P 1","2","","","","- C4 H9 Li N4 Na O11 -","- C4 H8 Li N4 Na O11 -","- C8 H16 Li2 N8 Na2 O22 -","2","1","","Jiang, Xiu'e; Xu, Zeyu; Fan, Mingren; Wang, Ruihui; Wang, Yi; Zhang, Qinghua","Synthesis of energetic materials derived from hydroxynitropyrazine","CrystEngComm","2026","28","1","163","168","10.1039/D5CE01009H","","","0.71073","MoKα","","0.1673","0.0932","","","0.2328","0.3104","","","","","","1.053","","","","has coordinates","304891","2026-03-05","12:35:01",""
"7251239","8.3085","0.0003","16.2606","0.0005","18.1267","0.0007","73.099","0.001","88.41","0.001","86.483","0.001","2338.63","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H15 K9 N20 O38 -","- C20 H9 K9 N20 O35 -","- C40 H18 K18 N40 O70 -","2","1","","Jiang, Xiu'e; Xu, Zeyu; Fan, Mingren; Wang, Ruihui; Wang, Yi; Zhang, Qinghua","Synthesis of energetic materials derived from hydroxynitropyrazine","CrystEngComm","2026","28","1","163","168","10.1039/D5CE01009H","","x-ray","0.71073","MoKα","","0.0698","0.0558","","","0.1338","0.1453","","","","","","1.037","","","","has coordinates","304891","2026-03-05","12:35:01",""
"7251248","10.4631","0.00001","10.4631","0.00001","37.42078","0.00006","90","","90","","120","","3547.84","0.007","293","1","293","1","","","","","","","","5","R 3 c :H","R 3 -2""c","161","Ca8.61Cd0.69La0.82(PO4)7","Ca8CdLa(PO4)7","","- Ca8.61 Cd0.69 La0.82 O28 P7 -","- Ca8.614 Cd0.692 La0.822 O28 P7 -","- Ca51.684 Cd4.152 La4.932 O168 P42 -","6","0.333333","","Sipina, Elena V.; Zhukovskaya, Evgeniya S.; Morozov, Vladimir A.; Stefanovich, Sergey Yu.; Grebenev, Vadim V.; Belik, Alexei A.; Lazoryak, Bogdan I.; Deyneko, Dina V.","β-Ca3(PO4)2-related structure and dielectric properties of Ca8CdLa(PO4)7","CrystEngComm","2026","28","1","143","151","10.1039/D5CE00787A","powder diffraction","x-ray","0.65297","synchrotron","","0.0358","0.0351","","0.0435","0.0434","","","","3.37","","","","","","","has coordinates","304892","2026-03-05","12:36:11",""
"7251393","17.7514","0.0003","5.68736","0.00012","13.0019","0.0004","90","","110.823","0.0009","90","","1226.91","0.05","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Aminocaproic acid oxalate dihydrate","","- C8 H19 N O8 -","- C8 H19 N O8 -","- C32 H76 N4 O32 -","4","1","","Kanagavel, Manimurugan; Nechipadappu, Sunil Kumar","Structural insights into the multi-component solid forms of aminocaproic acid and aminomethyl benzoic acid: mechanochemical approach for the preparation of salt forms","CrystEngComm","2026","","","","","10.1039/D5CE00830A","","","0.71073","MoKα","","0.085","0.0361","","","0.1034","0.1124","","","","","","1.035","","","","has coordinates","304020","2025-12-03","23:45:16",""
"7251394","8.3098","0.0003","9.6361","0.0004","10.8666","0.0004","96.5031","0.0013","106.955","0.0013","101.119","0.0013","803.26","0.05","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","Aminomethyl benzoic acid 2-chloro-4-nitrobenzoate monohydrate","","- C15 H15 Cl N2 O7 -","- C15 H15 Cl N2 O7 -","- C30 H30 Cl2 N4 O14 -","2","1","","Kanagavel, Manimurugan; Nechipadappu, Sunil Kumar","Structural insights into the multi-component solid forms of aminocaproic acid and aminomethyl benzoic acid: mechanochemical approach for the preparation of salt forms","CrystEngComm","2026","","","","","10.1039/D5CE00830A","","","0.71073","MoKα","","0.0595","0.0439","","","0.1205","0.134","","","","","","1.036","","","","has coordinates","304020","2025-12-03","23:45:16",""
"7251395","5.5781","0.0005","9.1736","0.0008","25.93","0.002","91.052","0.003","92.193","0.003","90.552","0.003","1325.6","0.19","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","Aminocaproic acid orotate","","- C11 H17 N3 O6 -","- C11 H17 N3 O6 -","- C44 H68 N12 O24 -","4","2","","Kanagavel, Manimurugan; Nechipadappu, Sunil Kumar","Structural insights into the multi-component solid forms of aminocaproic acid and aminomethyl benzoic acid: mechanochemical approach for the preparation of salt forms","CrystEngComm","2026","","","","","10.1039/D5CE00830A","","","0.71073","MoKα","","0.0697","0.0624","","","0.1777","0.1832","","","","","","1.077","","","","has coordinates","304020","2025-12-03","23:45:16",""
"7251396","14.34","0.005","13.802","0.013","14.671","0.005","90","","90","","90","","2904","3","294","2","294","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","Aminocaproic acid saccharate","","- C15 H14 N2 O5 S -","- C15 H14 N2 O5 S -","- C120 H112 N16 O40 S8 -","8","2","","Kanagavel, Manimurugan; Nechipadappu, Sunil Kumar","Structural insights into the multi-component solid forms of aminocaproic acid and aminomethyl benzoic acid: mechanochemical approach for the preparation of salt forms","CrystEngComm","2026","","","","","10.1039/D5CE00830A","","","0.71073","MoKα","","0.0545","0.0379","","","0.0909","0.101","","","","","","1.044","","","","has coordinates","304020","2025-12-03","23:45:16",""
"7251397","12.3917","0.0002","11.7324","0.0002","14.9593","0.0002","90","","100.549","0.0007","90","","2138.09","0.06","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Aminomethyl benzoic acid tartarate mono hydrate","","- C20 H26 N2 O11 -","- C20 H26 N2 O11 -","- C80 H104 N8 O44 -","4","1","","Kanagavel, Manimurugan; Nechipadappu, Sunil Kumar","Structural insights into the multi-component solid forms of aminocaproic acid and aminomethyl benzoic acid: mechanochemical approach for the preparation of salt forms","CrystEngComm","2026","","","","","10.1039/D5CE00830A","","","0.71073","MoKα","","0.0576","0.0452","","","0.119","0.131","","","","","","1.042","","","","has coordinates","304020","2025-12-03","23:45:16",""
"7251398","6.6096","0.0004","7.0278","0.0004","11.2902","0.0008","72.9234","0.0019","74.834","0.002","69.87","0.0017","463.1","0.05","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","Aminomethylbenzoic acid oxalate","","- C9 H10 N O4 -","- C9 H10 N O4 -","- C18 H20 N2 O8 -","2","1","","Kanagavel, Manimurugan; Nechipadappu, Sunil Kumar","Structural insights into the multi-component solid forms of aminocaproic acid and aminomethyl benzoic acid: mechanochemical approach for the preparation of salt forms","CrystEngComm","2026","","","","","10.1039/D5CE00830A","","","0.71073","MoKα","","0.0542","0.0442","","","0.1303","0.141","","","","","","1.038","","","","has coordinates","304020","2025-12-03","23:45:16",""
"7251399","8.6376","0.0003","9.5114","0.0004","15.9873","0.0006","79.9178","0.0012","80.8899","0.0012","88.4671","0.0013","1276.85","0.08","294","2","294","2","","","","","","","","4","P -1","-P 1","2","Aminocaproic acid-tartarate","Aminocaproic acid-tartarate","","- C20 H38 N2 O16 -","- C20 H38 N2 O16 -","- C40 H76 N4 O32 -","2","1","","Kanagavel, Manimurugan; Nechipadappu, Sunil Kumar","Structural insights into the multi-component solid forms of aminocaproic acid and aminomethyl benzoic acid: mechanochemical approach for the preparation of salt forms","CrystEngComm","2026","","","","","10.1039/D5CE00830A","","","0.71073","MoKα","","0.073","0.0428","","","0.1049","0.1239","","","","","","1.032","","","","has coordinates,has disorder","304020","2025-12-03","23:45:16",""
"7251400","30.203","0.004","5.6916","0.0008","14.254","0.002","90","","99.433","0.006","90","","2417.2","0.6","294","2","294","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Aminocaproic acid oxalate hemi trihydrate","","- C16 H36 N2 O15 -","- C16 H36 N2 O15 -","- C64 H144 N8 O60 -","4","0.5","","Kanagavel, Manimurugan; Nechipadappu, Sunil Kumar","Structural insights into the multi-component solid forms of aminocaproic acid and aminomethyl benzoic acid: mechanochemical approach for the preparation of salt forms","CrystEngComm","2026","","","","","10.1039/D5CE00830A","","","0.71073","MoKα","","0.0536","0.042","","","0.1103","0.1188","","","","","","1.039","","","","has coordinates","304020","2025-12-03","23:45:16",""
"7251401","13.6402","0.0003","8.6125","0.0003","6.3343","0.0005","90","","90","","90","","744.13","0.07","294","2","294","2","","","","","","","","4","P n a 21","P 2c -2n","33","","Aminomethyl benzoic acid","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C32 H36 N4 O8 -","4","1","","Kanagavel, Manimurugan; Nechipadappu, Sunil Kumar","Structural insights into the multi-component solid forms of aminocaproic acid and aminomethyl benzoic acid: mechanochemical approach for the preparation of salt forms","CrystEngComm","2026","","","","","10.1039/D5CE00830A","","","0.71073","MoKα","","0.0452","0.0371","","","0.0908","0.0967","","","","","","1.057","","","","has coordinates","304020","2025-12-03","23:45:16",""
"7251402","5.8889","0.0006","10.2677","0.001","11.2466","0.001","102.25","0.003","93.673","0.003","91.141","0.004","662.79","0.11","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","Aminomethyl benzoic acid orotate","","- C13 H13 N3 O6 -","- C13 H13 N3 O6 -","- C26 H26 N6 O12 -","2","1","","Kanagavel, Manimurugan; Nechipadappu, Sunil Kumar","Structural insights into the multi-component solid forms of aminocaproic acid and aminomethyl benzoic acid: mechanochemical approach for the preparation of salt forms","CrystEngComm","2026","","","","","10.1039/D5CE00830A","","","0.71073","MoKα","","0.0744","0.0526","","","0.1503","0.1661","","","","","","1.084","","","","has coordinates","304020","2025-12-03","23:45:16",""
"7251403","7.5263","0.0019","12.781","0.004","21.505","0.006","77.876","0.007","88.418","0.007","79.491","0.007","1988.5","1","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","Aminocaproic acid-caffeic acid hydrate","","- C36 H60.19 N3 O16.6 -","- C36 H60.194 N3 O16.597 -","- C72 H120.388 N6 O33.194 -","2","1","","Kanagavel, Manimurugan; Nechipadappu, Sunil Kumar","Structural insights into the multi-component solid forms of aminocaproic acid and aminomethyl benzoic acid: mechanochemical approach for the preparation of salt forms","CrystEngComm","2026","","","","","10.1039/D5CE00830A","","","0.71073","MoKα","","0.0869","0.0496","","","0.1316","0.1548","","","","","","1.052","","","","has coordinates,has disorder","304020","2025-12-03","23:45:16",""
"7251404","10.524","0.0003","15.0537","0.0005","27.8","0.0008","90","","90","","90","","4404.2","0.2","230.15","","230.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2a","","- C24 H12 Br4 N2 -","- C24 H12 Br4 N2 -","- C192 H96 Br32 N16 -","8","1","","Li, Linjie; Shang, Yunyi; Gao, Yujia; Zhang, Yanfeng; Xu, Chao; Zhang, Qichun; Wang, Hui","Metal-free and visible photons for the dehydrogenative N-N coupling of amines: Powerful methods to optoelectronic materials","Green Chemistry","2026","","","","","10.1039/D5GC04907E","","","1.54178","CuKα","","0.0359","0.0351","","","0.0845","0.0851","","","","","","1.107","","","","has coordinates","304023","2025-12-04","00:41:12",""
"7251405","15.695","0.002","11.5619","0.0018","18.283","0.003","90","","106.336","0.004","90","","3183.8","0.8","126","2","126","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C70 H64 N8 O8 -","- C70 H64 N8 O8 -","- C140 H128 N16 O16 -","2","0.5","","Tharmalingam, Balamurugan; Sukhanov, Andrey A.; Pei, Yuying; Sambucari, Greta; Ramos, Talita; Zhao, Jianzhang; Voronkova, Violeta K.; Di Donato, Mariangela","Long-lived charge separated states in spiro-compact rhodamine–naphthalenediimide D–A–D systems: synthesis and time-resolved optical and electron paramagnetic resonance spectroscopic studies","Physical Chemistry Chemical Physics","2026","","","","","10.1039/D5CP03836G","","","0.71073","MoKα","","0.1634","0.0803","","","0.2179","0.2698","","","","","","1.065","","","","has coordinates","304027","2025-12-04","02:12:58",""
"7251406","12.294","0.002","13.387","0.002","20.532","0.003","86.872","0.006","87.845","0.005","83.021","0.006","3347.5","0.9","150","2","150","","","","","","","","","4","P -1","-P 1","2","","","","- C76 H74 N9 O8 -","- C76 H74 N9 O8 -","- C152 H148 N18 O16 -","2","1","","Tharmalingam, Balamurugan; Sukhanov, Andrey A.; Pei, Yuying; Sambucari, Greta; Ramos, Talita; Zhao, Jianzhang; Voronkova, Violeta K.; Di Donato, Mariangela","Long-lived charge separated states in spiro-compact rhodamine–naphthalenediimide D–A–D systems: synthesis and time-resolved optical and electron paramagnetic resonance spectroscopic studies","Physical Chemistry Chemical Physics","2026","","","","","10.1039/D5CP03836G","","","0.71073","MoKα","","0.1762","0.1104","","","0.3114","0.3647","","","","","","1.174","","","","has coordinates","304027","2025-12-04","02:12:58",""
"7251411","4.6803","0.0009","40.269","0.007","9.2487","0.0017","90","","96.433","0.005","90","","1732.1","0.6","299","","299","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 O4 -","- C21 H20 O4 -","- C84 H80 O16 -","4","1","","Ahamed , Riyaaz; Bhowmik, Aritra; Mishra, Manish Kumar; Ghosh, Soumyajit","Dual-Responsive Benzylidene Indanone Crystals: Mechanical Flexibility Coupled with Reversible Acidochromism","CrystEngComm","2026","","","","","10.1039/D5CE00958H","","","0.71073","MoKα","","0.1364","0.0962","","","0.2232","0.2463","","","","","","1.135","","","","has coordinates","304133","2025-12-08","23:42:43",""
"7251412","4.8459","0.0008","35.354","0.006","9.1074","0.0015","90","","97.576","0.005","90","","1546.7","0.4","298","","298","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 O4 -","- C19 H17 O4 -","- C76 H68 O16 -","4","1","","Ahamed , Riyaaz; Bhowmik, Aritra; Mishra, Manish Kumar; Ghosh, Soumyajit","Dual-Responsive Benzylidene Indanone Crystals: Mechanical Flexibility Coupled with Reversible Acidochromism","CrystEngComm","2026","","","","","10.1039/D5CE00958H","","","0.71073","MoKα","","0.138","0.0595","","","0.1496","0.2108","","","","","","1.061","","","","has coordinates,has disorder","304133","2025-12-08","23:42:43",""
"7251433","12.8851","0.0004","13.6763","0.0004","14.8823","0.0005","90","","90","","90","","2622.57","0.14","102","4","102","4","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H20 Cl2 Cu2 N2 O7 -","- C29 H20 Cl2 Cu2 N2 O7 -","- C116 H80 Cl8 Cu8 N8 O28 -","4","1","","Pantelis, Konstantinos; Alexandropoulos, Dimitris I.; Escuer, Albert; Kostakis, George E.; Stamatatos, Theocharis C.","A Preformed 1‐D {CuII2}n Helical Chain as Precursor to a Decanuclear 0-D {CuII8MnII2} Cluster: Synthesis, Structure and Magnetism","CrystEngComm","2026","","","","","10.1039/D5CE01110H","","x-ray","1.54184","CuKα","","0.0525","0.0521","","","0.1375","0.1383","","","","","","1.04","","","","has coordinates","304180","2025-12-11","23:59:16",""
"7251434","77.1822","0.0012","16.6415","0.0004","29.2589","0.0007","90","","100.799","0.002","90","","36915.4","1.4","100","","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C369 H266 Cl24 Cu24 Mn6 N40.5 O90.25 -","- C356 H246 Cl24 Cu24 Mn6 N34 O90 -","- C1424 H984 Cl96 Cu96 Mn24 N136 O360 -","4","0.5","","Pantelis, Konstantinos; Alexandropoulos, Dimitris I.; Escuer, Albert; Kostakis, George E.; Stamatatos, Theocharis C.","A Preformed 1‐D {CuII2}n Helical Chain as Precursor to a Decanuclear 0-D {CuII8MnII2} Cluster: Synthesis, Structure and Magnetism","CrystEngComm","2026","","","","","10.1039/D5CE01110H","","x-ray","1.54184","CuKα","","0.0816","0.0658","","","0.1637","0.1772","","","","","","1.035","","","","has coordinates,has disorder","304180","2025-12-11","23:59:16",""
"7251435","13.1077","0.0008","19.8491","0.0013","13.2457","0.0009","90","","96.073","0.002","90","","3426.9","0.4","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36 H33 Cl Cu N3 O4 P2 -","- C36 H33 Cl Cu N3 O4 P2 -","- C144 H132 Cl4 Cu4 N12 O16 P8 -","4","1","","Mao, Zhen; Li, Hai-Jian; He, Xue; Liu, Sui-Jun; Wen, He-Rui; He, Li-Hua; Chen, Jing-Lin","Tricolor reversible luminescence switching of a mechano-/vapo-chromic mononuclear Cu(i) complex","CrystEngComm","2026","28","12","1877","1882","10.1039/D5CE01142F","","","0.71073","MoKα","","0.109","0.0543","","","0.1327","0.172","","","","","","1.042","","","","has coordinates","305351","2026-04-05","12:00:00",""
"7251436","20.8314","0.0018","17.0911","0.0016","22.858","0.003","90","","105.845","0.01","90","","7828.9","1.5","270.5","0.3","270.5","0.3","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C39 H39 Cl Cu N3 O5 P2 -","- C39 H39 Cl Cu N3 O5 P2 -","- C312 H312 Cl8 Cu8 N24 O40 P16 -","8","1","","Mao, Zhen; Li, Hai-Jian; He, Xue; Liu, Sui-Jun; Wen, He-Rui; He, Li-Hua; Chen, Jing-Lin","Tricolor reversible luminescence switching of a mechano-/vapo-chromic mononuclear Cu(i) complex","CrystEngComm","2026","28","12","1877","1882","10.1039/D5CE01142F","","x-ray","0.71073","MoKα","","0.198","0.0769","","","0.1946","0.2512","","","","","","0.992","","","","has coordinates","305351","2026-04-05","12:00:00",""
"7251437","5.074","0.001","5.261","0.0011","12.385","0.003","90.1","0.03","97.94","0.03","95.82","0.03","325.71","0.13","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H8 N2 O8 -","- C14 H8 N2 O8 -","- C14 H8 N2 O8 -","1","0.5","","Cao, Winnie; Glascott, Bianca K.; Izgorodina, Ekaterina I.; Turner, David R.","Conformational preferences of diimide-based dicarboxylate species and their coordination polymers","CrystEngComm","2026","28","3","736","747","10.1039/D5CE00993F","","","0.7108","synchrotron","","0.0712","0.0551","","","0.1392","0.1512","","","","","","1.027","","","","has coordinates","304261","2026-02-12","22:03:18",""
"7251438","31.934","0.006","4.75","0.0009","29.072","0.006","90","","99.72","0.03","90","","4346.5","1.5","100.15","","100.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18.33 H19.09 Mn N3.44 O10.94 -","- C18.326 H16.094 Mn N3.442 O9.442 -","- C146.608 H128.752 Mn8 N27.536 O75.536 -","8","1","","Cao, Winnie; Glascott, Bianca K.; Izgorodina, Ekaterina I.; Turner, David R.","Conformational preferences of diimide-based dicarboxylate species and their coordination polymers","CrystEngComm","2026","28","3","736","747","10.1039/D5CE00993F","","","0.7108","synchrotron","","0.1431","0.098","","","0.2783","0.3254","","","","","","1.063","","","","has coordinates,has disorder","304261","2026-02-12","22:03:18",""
"7251439","13.425","0.003","17.687","0.004","9.629","0.0019","90","","91.03","0.03","90","","2286","0.9","100","2","100.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 Ca N4 O10 -","- C20 H20 Ca N4 O10 -","- C80 H80 Ca4 N16 O40 -","4","1","","Cao, Winnie; Glascott, Bianca K.; Izgorodina, Ekaterina I.; Turner, David R.","Conformational preferences of diimide-based dicarboxylate species and their coordination polymers","CrystEngComm","2026","28","3","736","747","10.1039/D5CE00993F","","","0.71092","synchrotron","","0.2235","0.1531","","","0.3902","0.4302","","","","","","1.092","","","","has coordinates","304261","2026-02-12","22:03:18",""
"7251440","20.7529","0.0005","5.6389","0.0001","16.0661","0.0003","90","","118.704","0.002","90","","1649.07","0.07","122.99","0.11","122.99","0.11","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C16 H14 N2 O9 -","- C16 H14 N2 O9 -","- C64 H56 N8 O36 -","4","1","","Cao, Winnie; Glascott, Bianca K.; Izgorodina, Ekaterina I.; Turner, David R.","Conformational preferences of diimide-based dicarboxylate species and their coordination polymers","CrystEngComm","2026","28","3","736","747","10.1039/D5CE00993F","","x-ray","1.54178","CuKα","","0.0482","0.0465","","","0.1268","0.1286","","","","","","1.107","","","","has coordinates,has disorder","304261","2026-02-12","22:03:18",""
"7251441","5.7316","0.0002","6.1988","0.0002","12.473","0.0005","85.726","0.003","80.66","0.003","81.607","0.003","432.01","0.03","122.99","0.1","122.99","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C18 H16 N2 O8 -","- C18 H16 N2 O8 -","- C18 H16 N2 O8 -","1","0.5","","Cao, Winnie; Glascott, Bianca K.; Izgorodina, Ekaterina I.; Turner, David R.","Conformational preferences of diimide-based dicarboxylate species and their coordination polymers","CrystEngComm","2026","28","3","736","747","10.1039/D5CE00993F","","x-ray","1.54184","CuKα","","0.0568","0.0445","","","0.1134","0.1599","","","","","","1.194","","","","has coordinates","304261","2026-02-12","22:03:18",""
"7251442","32.04","0.006","4.74","0.0009","29.17","0.006","90","","99.52","0.03","90","","4369","1.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18.45 H19.38 N3.48 O10.98 Zn -","- C18.449 H16.381 N3.483 O9.483 Zn -","- C147.592 H131.048 N27.864 O75.864 Zn8 -","8","1","","Cao, Winnie; Glascott, Bianca K.; Izgorodina, Ekaterina I.; Turner, David R.","Conformational preferences of diimide-based dicarboxylate species and their coordination polymers","CrystEngComm","2026","28","3","736","747","10.1039/D5CE00993F","","","0.71076","Synchrotron","","0.0602","0.0565","","","0.1702","0.1745","","","","","","1.162","","","","has coordinates,has disorder","304261","2026-02-12","22:03:18",""
"7251443","8.635","0.0017","20.581","0.004","12.07","0.002","90","","101.8","0.03","90","","2099.7","0.7","100","2","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C38 H34 Co2 N6 O18 -","- C38 H34 Co2 N6 O18 -","- C76 H68 Co4 N12 O36 -","2","1","","Cao, Winnie; Glascott, Bianca K.; Izgorodina, Ekaterina I.; Turner, David R.","Conformational preferences of diimide-based dicarboxylate species and their coordination polymers","CrystEngComm","2026","28","3","736","747","10.1039/D5CE00993F","","","0.7108","Synchrotron","","0.077","0.0634","","","0.1744","0.1879","","","","","","1.034","","","","has coordinates,has disorder","304261","2026-02-12","22:03:18",""
"7251444","9.88","0.002","10.14","0.002","13.57","0.003","84.31","0.03","71.44","0.03","63.63","0.03","1153.2","0.6","100.15","","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H20 Mn N4 O10 -","- C20 H20 Mn N4 O10 -","- C40 H40 Mn2 N8 O20 -","2","1","","Cao, Winnie; Glascott, Bianca K.; Izgorodina, Ekaterina I.; Turner, David R.","Conformational preferences of diimide-based dicarboxylate species and their coordination polymers","CrystEngComm","2026","28","3","736","747","10.1039/D5CE00993F","","","0.71076","synchrotron","","0.0962","0.088","","","0.2614","0.2727","","","","","","1.148","","","","has coordinates","304261","2026-02-12","22:03:18",""
"7251445","9.6362","0.0005","10.1021","0.0007","13.5166","0.0006","84.244","0.004","71.817","0.004","63.4","0.006","1116.56","0.13","123","0.2","123","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H20 Co N4 O10 -","- C20 H20 Co N4 O10 -","- C40 H40 Co2 N8 O20 -","2","1","","Cao, Winnie; Glascott, Bianca K.; Izgorodina, Ekaterina I.; Turner, David R.","Conformational preferences of diimide-based dicarboxylate species and their coordination polymers","CrystEngComm","2026","28","3","736","747","10.1039/D5CE00993F","","x-ray","1.54184","CuKα","","0.0919","0.0751","","","0.2171","0.2322","","","","","","1.047","","","","has coordinates","304261","2026-02-12","22:03:19",""
"7251446","4.79","0.001","15.013","0.003","25.31","0.005","90","","90","","90","","1820.1","0.6","100","2","100.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H13 Cd N3 O9 -","- C17 H13 Cd N3 O9 -","- C68 H52 Cd4 N12 O36 -","4","1","","Cao, Winnie; Glascott, Bianca K.; Izgorodina, Ekaterina I.; Turner, David R.","Conformational preferences of diimide-based dicarboxylate species and their coordination polymers","CrystEngComm","2026","28","3","736","747","10.1039/D5CE00993F","","","0.7109","synchrotron","","0.2473","0.1419","","","0.3587","0.4283","","","","","","1.201","","","","has coordinates,has disorder","304261","2026-02-12","22:03:19",""
"7251447","4.973","0.0001","9.0826","0.0004","12.8166","0.0004","91.128","0.003","92.195","0.002","94.386","0.003","576.63","0.03","123","0.11","123","0.11","","","","","","","","5","P -1","-P 1","2","","","","- C20 H20 Cd N4 O10 -","- C20 H20 Cd N4 O10 -","- C20 H20 Cd N4 O10 -","1","0.5","","Cao, Winnie; Glascott, Bianca K.; Izgorodina, Ekaterina I.; Turner, David R.","Conformational preferences of diimide-based dicarboxylate species and their coordination polymers","CrystEngComm","2026","28","3","736","747","10.1039/D5CE00993F","","x-ray","0.71073","MoKα","","0.024","0.0236","","","0.0556","0.0558","","","","","","1.038","","","","has coordinates,has disorder","304261","2026-02-12","22:03:19",""
"7251448","21.765","0.0003","21.8911","0.0003","26.7368","0.0002","70.548","0.001","77.185","0.001","87.923","0.001","11702.9","0.3","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C208 H258 Ag6 N16 O28 S16 Ti6 -","- C176 H210 Ag6 O28 S16 Ti6 -","- C352 H420 Ag12 O56 S32 Ti12 -","2","1","","Han, Qian; Wang, Xiao-Wei; Zhu, Hong-Yan; Li, Lan-Yan; Yu, Wei-Dong; Liu, Chao","Anchored Ag+ sites on a thiacalix[4]arene-stabilized Ti-oxo cluster enable efficient CO2-to-CO electroreduction","CrystEngComm","2026","28","4","806","811","10.1039/D5CE01062D","","x-ray","1.54184","CuKα","","0.0563","0.0441","","","0.1281","0.136","","","","","","1.059","","","","has coordinates,has disorder","304262","2026-02-12","22:03:56",""
"7251449","12.8614","0.0005","13.3481","0.0005","23.7581","0.0009","90","","91.259","0.003","90","","4077.7","0.3","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C76 H104 N4 O12 S4 Ti2 -","- C76 H104 N4 O12 S4 Ti2 -","- C152 H208 N8 O24 S8 Ti4 -","2","0.5","","Han, Qian; Wang, Xiao-Wei; Zhu, Hong-Yan; Li, Lan-Yan; Yu, Wei-Dong; Liu, Chao","Anchored Ag+ sites on a thiacalix[4]arene-stabilized Ti-oxo cluster enable efficient CO2-to-CO electroreduction","CrystEngComm","2026","28","4","806","811","10.1039/D5CE01062D","","x-ray","0.71073","MoKα","","0.1018","0.0915","","","0.2731","0.2852","","","","","","0.985","","","","has coordinates,has disorder","304262","2026-02-12","22:03:56",""
"7251450","5.9187","0.0002","8.0533","0.0003","10.5862","0.0003","99.782","0.003","96.732","0.003","102.517","0.003","479.17","0.03","150","0.2","150","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H22 N2 O4 -","- C22 H22 N2 O4 -","- C22 H22 N2 O4 -","1","0.5","","Hill, Max T.; Birch-Machin, Mark A.; Sellars, Jonathan D.; Waddell, Paul G.","Four polymorphic structures of a symmetric azo dye","CrystEngComm","2026","28","11","1781","1790","10.1039/D5CE01159K","","x-ray","1.54184","CuKα","","0.0404","0.0362","","","0.1011","0.1057","","","","","","1.058","","","","has coordinates","305347","2026-04-05","11:59:24",""
"7251451","13.4185","0.0005","9.8231","0.0004","7.2136","0.0003","90","","90.961","0.004","90","","950.7","0.07","150","0.2","150","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 N2 O4 -","- C22 H22 N2 O4 -","- C44 H44 N4 O8 -","2","0.5","","Hill, Max T.; Birch-Machin, Mark A.; Sellars, Jonathan D.; Waddell, Paul G.","Four polymorphic structures of a symmetric azo dye","CrystEngComm","2026","28","11","1781","1790","10.1039/D5CE01159K","","x-ray","1.54184","CuKα","","0.0455","0.0386","","","0.0977","0.1032","","","","","","1.067","","","","has coordinates","305347","2026-04-05","11:59:24",""
"7251452","3.9172","0.0001","9.6395","0.0002","50.1648","0.0011","90","","90","","90","","1894.22","0.07","150","0.2","150","0.2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H22 N2 O4 -","- C22 H22 N2 O4 -","- C88 H88 N8 O16 -","4","1","","Hill, Max T.; Birch-Machin, Mark A.; Sellars, Jonathan D.; Waddell, Paul G.","Four polymorphic structures of a symmetric azo dye","CrystEngComm","2026","28","11","1781","1790","10.1039/D5CE01159K","","x-ray","1.54184","CuKα","","0.0398","0.0356","","","0.0915","0.0942","","","","","","1.044","","","","has coordinates","305347","2026-04-05","11:59:24",""
"7251453","22.6748","0.0007","8.4634","0.0003","5.3937","0.0002","90","","90","","90","","1035.08","0.06","150","0.2","150","0.2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C11 H13 N O2 -","- C11 H13 N O2 -","- C44 H52 N4 O8 -","4","1","","Hill, Max T.; Birch-Machin, Mark A.; Sellars, Jonathan D.; Waddell, Paul G.","Four polymorphic structures of a symmetric azo dye","CrystEngComm","2026","28","11","1781","1790","10.1039/D5CE01159K","","x-ray","1.54184","CuKα","","0.0431","0.0381","","","0.0972","0.1009","","","","","","1.05","","","","has coordinates","305347","2026-04-05","11:59:24",""
"7251454","6.9802","0.0003","8.0029","0.0004","10.9422","0.0007","69.905","0.005","72.221","0.005","68.201","0.005","521.8","0.05","150","0.2","150","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H11 N O4 -","- C11 H11 N O4 -","- C22 H22 N2 O8 -","2","1","","Hill, Max T.; Birch-Machin, Mark A.; Sellars, Jonathan D.; Waddell, Paul G.","Four polymorphic structures of a symmetric azo dye","CrystEngComm","2026","28","11","1781","1790","10.1039/D5CE01159K","","x-ray","1.54184","CuKα","","0.0428","0.0386","","","0.1099","0.1139","","","","","","1.082","","","","has coordinates","305347","2026-04-05","11:59:24",""
"7251455","8.8556","0.0002","10.0594","0.0003","21.7173","0.0006","90","","98.001","0.003","90","","1915.79","0.09","150","0.2","150","0.2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H22 N2 O4 -","- C22 H22 N2 O4 -","- C88 H88 N8 O16 -","4","2","","Hill, Max T.; Birch-Machin, Mark A.; Sellars, Jonathan D.; Waddell, Paul G.","Four polymorphic structures of a symmetric azo dye","CrystEngComm","2026","28","11","1781","1790","10.1039/D5CE01159K","","x-ray","1.54184","CuKα","","0.042","0.0378","","","0.098","0.1006","","","","","","1.031","","","","has coordinates","305347","2026-04-05","11:59:24",""
"7251456","11.3658","0.0003","25.1078","0.0007","22.8023","0.0006","90","","104.364","0.001","90","","6303.7","0.3","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C73 H76 Br2 O10 -","- C73 H76 Br2 O10 -","- C292 H304 Br8 O40 -","4","1","","Almoaeen, Randa Abd; Vinodh, Mickey; Alipour, Fatemeh H.; Al-Azemi, Talal F.","Influence of crystallization solvents on the crystal structures and supramolecular assemblies of a [2]naphthyl-extended pillar[6]arene","CrystEngComm","2026","28","8","1331","1338","10.1039/D5CE01118C","","","1.54178","CuKα","","0.1301","0.1034","","","0.2755","0.3181","","","","","","1.272","","","","has coordinates,has disorder","304896","2026-03-05","12:37:41",""
"7251457","11.1392","0.0005","25.2833","0.0011","22.6009","0.0012","90","","103.461","0.002","90","","6190.4","0.5","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C71 H72 Br2 O10 -","- C71 H72 Br2 O10 -","- C284 H288 Br8 O40 -","4","0.5","","Almoaeen, Randa Abd; Vinodh, Mickey; Alipour, Fatemeh H.; Al-Azemi, Talal F.","Influence of crystallization solvents on the crystal structures and supramolecular assemblies of a [2]naphthyl-extended pillar[6]arene","CrystEngComm","2026","28","8","1331","1338","10.1039/D5CE01118C","","","1.54178","CuKα","","0.0801","0.0611","","","0.1654","0.185","","","","","","1.055","","","","has coordinates,has disorder","304896","2026-03-05","12:37:42",""
"7251458","39.404","0.002","10.6754","0.0007","24.3659","0.0014","90","","107.392","0.004","90","","9781","1","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C106 H128 Br4 O12 -","- C106 H128 Br4 O12 -","- C424 H512 Br16 O48 -","4","0.5","","Almoaeen, Randa Abd; Vinodh, Mickey; Alipour, Fatemeh H.; Al-Azemi, Talal F.","Influence of crystallization solvents on the crystal structures and supramolecular assemblies of a [2]naphthyl-extended pillar[6]arene","CrystEngComm","2026","28","8","1331","1338","10.1039/D5CE01118C","","","1.54178","CuKα","","0.1199","0.0752","","","0.2133","0.2571","","","","","","1.03","","","","has coordinates,has disorder","304896","2026-03-05","12:37:42",""
"7251459","38.7491","0.0009","10.4816","0.0002","23.9295","0.0005","90","","107.054","0.001","90","","9291.7","0.3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C102 H120 Br4 O12 -","- C102 H120 Br4 O12 -","- C408 H480 Br16 O48 -","4","0.5","","Almoaeen, Randa Abd; Vinodh, Mickey; Alipour, Fatemeh H.; Al-Azemi, Talal F.","Influence of crystallization solvents on the crystal structures and supramolecular assemblies of a [2]naphthyl-extended pillar[6]arene","CrystEngComm","2026","28","8","1331","1338","10.1039/D5CE01118C","","","1.54178","CuKα","","0.0621","0.0494","","","0.131","0.1436","","","","","","1.023","","","","has coordinates","304896","2026-03-05","12:37:42",""
"7251460","7.3871","0.0001","17.4215","0.0002","18.6866","0.0003","90","","100.156","0.0014","90","","2367.18","0.06","150","","150","","","","","","","","synthesized","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H34 Cl2 N4 O -","- C22 H34 Cl2 N4 O -","- C88 H136 Cl8 N16 O4 -","4","1","","Perry-Britton, Meabh K. S.; Du, Jessica J.; White, Nicholas G.","1D chains and an open 3D network from poly(diethylamidinium) cations and polycarboxylate anions","CrystEngComm","2026","28","5","990","999","10.1039/D5CE01146A","","","1.54184","CuKα","","0.0456","0.0383","","0.0953","0.0918","0.0953","","","","","","1.0292","","","","has coordinates","304265","2026-02-12","22:05:50",""
"7251461","10.9536","0.0009","12.2674","0.0012","12.3465","0.0008","92.853","0.006","98.138","0.006","105.889","0.008","1572.7","0.2","150","","150","","","","","","","","synthesized","4","P -1","-P 1","2","","","","- C36 H40 N4 O4 -","- C36 H40 N4 O4 -","- C72 H80 N8 O8 -","2","1","","Perry-Britton, Meabh K. S.; Du, Jessica J.; White, Nicholas G.","1D chains and an open 3D network from poly(diethylamidinium) cations and polycarboxylate anions","CrystEngComm","2026","28","5","990","999","10.1039/D5CE01146A","","","0.71073","MoKα","","0.1255","0.0676","","0.1489","0.1278","0.1489","","","","","","1.0221","","","","has coordinates","304265","2026-02-12","22:05:50",""
"7251462","9.4959","0.0013","17.181","0.002","23.879","0.002","90","","90","","90","","3895.8","0.8","150","","150","","","","","","","","synthesized","4","P n n a","-P 2a 2bc","52","","","","- C30 H36 N4 O4 -","- C30 H36 N4 O4 -","- C120 H144 N16 O16 -","4","0.5","","Perry-Britton, Meabh K. S.; Du, Jessica J.; White, Nicholas G.","1D chains and an open 3D network from poly(diethylamidinium) cations and polycarboxylate anions","CrystEngComm","2026","28","5","990","999","10.1039/D5CE01146A","","","0.71073","MoKα","","0.2583","0.1848","","0.2336","0.2268","0.2336","","","","","","0.9999","","","","has coordinates,has disorder","304265","2026-02-12","22:05:50",""
"7251463","30.0803","0.0005","26.6383","0.0005","26.8475","0.0005","90","","90","","90","","21512.6","0.7","150","","150","","","","","","","","synthesized","4","P b c n","-P 2n 2ab","60","","","","- C74 H80 N8 O8 -","- C74 H80 N8 O8 -","- C592 H640 N64 O64 -","8","1","","Perry-Britton, Meabh K. S.; Du, Jessica J.; White, Nicholas G.","1D chains and an open 3D network from poly(diethylamidinium) cations and polycarboxylate anions","CrystEngComm","2026","28","5","990","999","10.1039/D5CE01146A","","","1.54184","CuKα","","0.198","0.162","","0.2157","0.212","0.2157","","","","","","1.0112","","","","has coordinates","304265","2026-02-12","22:05:50",""
"7251464","22.70732","0.00009","22.70732","0.00009","17.5665","0.00011","90","","90","","90","","9057.68","0.08","150","","150","","","","","","","","synthesized","4","I 41/a :2","-I 4ad","88","","","","- C101 H100 N8 O16 -","- C101 H100 N8 O16 -","- C404 H400 N32 O64 -","4","0.25","","Perry-Britton, Meabh K. S.; Du, Jessica J.; White, Nicholas G.","1D chains and an open 3D network from poly(diethylamidinium) cations and polycarboxylate anions","CrystEngComm","2026","28","5","990","999","10.1039/D5CE01146A","","","1.54184","CuKα","","0.0449","0.0423","","0.1287","0.1253","0.1287","","","","","","0.9997","","","","has coordinates,has disorder","304265","2026-02-12","22:05:50",""
"7251465","11.867","0.002","5.9451","0.0011","14.816","0.003","90","","105.328","0.007","90","","1008.1","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Ivacaftor","","- C24 H28 N2 O3 -","- C24 H28 N2 O3 -","- C48 H56 N4 O6 -","2","1","","Doguparthi, Naga Prathyusha; Kanagavel, Manimurugan; Samreen, Sabiqa; Navya, Yaramala; Soujanya, Yarasi; Swain, Debasish; Nechipadappu, Sunil Kumar","Crystal engineering of the cystic fibrosis drug ivacaftor: salts, solvates and hydrate forms with solubility and stability studies","CrystEngComm","2026","28","10","1621","1635","10.1039/D5CE01068C","","","0.71073","MoKα","","0.0926","0.0505","","","0.0974","0.1125","","","","","","0.994","","","","has coordinates","305337","2026-04-05","11:54:56",""
"7251466","8.159","0.006","9.147","0.005","23.118","0.016","84.592","0.013","81.785","0.015","68.743","0.011","1589.7","1.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","ivacaftor-geranil monohydrate","","- C34 H48 N2 O5 -","- C34 H48 N2 O5 -","- C68 H96 N4 O10 -","2","1","","Doguparthi, Naga Prathyusha; Kanagavel, Manimurugan; Samreen, Sabiqa; Navya, Yaramala; Soujanya, Yarasi; Swain, Debasish; Nechipadappu, Sunil Kumar","Crystal engineering of the cystic fibrosis drug ivacaftor: salts, solvates and hydrate forms with solubility and stability studies","CrystEngComm","2026","28","10","1621","1635","10.1039/D5CE01068C","","","0.71073","MoKα","","0.125","0.0716","","","0.1801","0.2142","","","","","","1.031","","","","has coordinates","305337","2026-04-05","11:54:56",""
"7251467","10.2784","0.0014","10.5283","0.0017","15.382","0.003","76.476","0.006","85.972","0.005","89.973","0.005","1614.2","0.5","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","ivacaftor hydrochloride ethyl acetate solvate","","- C28 H37 Cl N2 O5 -","- C28 H37 Cl N2 O5 -","- C56 H74 Cl2 N4 O10 -","2","1","","Doguparthi, Naga Prathyusha; Kanagavel, Manimurugan; Samreen, Sabiqa; Navya, Yaramala; Soujanya, Yarasi; Swain, Debasish; Nechipadappu, Sunil Kumar","Crystal engineering of the cystic fibrosis drug ivacaftor: salts, solvates and hydrate forms with solubility and stability studies","CrystEngComm","2026","28","10","1621","1635","10.1039/D5CE01068C","","","0.71073","MoKα","","0.1177","0.0607","","","0.158","0.1943","","","","","","1.026","","","","has coordinates,has disorder","305337","2026-04-05","11:54:56",""
"7251468","24.2682","0.0007","11.0691","0.0003","18.7201","0.0005","90","","97.1082","0.0009","90","","4990.1","0.2","294","2","294","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","ivacaftor acetic acid solvate","","- C26 H32 N2 O5 -","- C26 H32 N2 O5 -","- C208 H256 N16 O40 -","8","1","","Doguparthi, Naga Prathyusha; Kanagavel, Manimurugan; Samreen, Sabiqa; Navya, Yaramala; Soujanya, Yarasi; Swain, Debasish; Nechipadappu, Sunil Kumar","Crystal engineering of the cystic fibrosis drug ivacaftor: salts, solvates and hydrate forms with solubility and stability studies","CrystEngComm","2026","28","10","1621","1635","10.1039/D5CE01068C","","","0.71073","MoKα","","0.0699","0.0593","","","0.1745","0.1897","","","","","","1.042","","","","has coordinates","305337","2026-04-05","11:54:56",""
"7251469","6.923","0.0003","9.5568","0.0004","20.6857","0.0008","78.3703","0.0012","89.8695","0.0013","71.8961","0.0012","1271.46","0.09","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","ivacaftor ethanolamine","","- C26 H35 N3 O4 -","- C26 H35 N3 O4 -","- C52 H70 N6 O8 -","2","1","","Doguparthi, Naga Prathyusha; Kanagavel, Manimurugan; Samreen, Sabiqa; Navya, Yaramala; Soujanya, Yarasi; Swain, Debasish; Nechipadappu, Sunil Kumar","Crystal engineering of the cystic fibrosis drug ivacaftor: salts, solvates and hydrate forms with solubility and stability studies","CrystEngComm","2026","28","10","1621","1635","10.1039/D5CE01068C","","","0.71073","MoKα","","0.0627","0.0501","","","0.1477","0.1602","","","","","","1.062","","","","has coordinates","305337","2026-04-05","11:54:56",""
"7251470","6.721","0.002","8.395","0.002","21.299","0.007","80.462","0.012","89.652","0.013","80.149","0.012","1167.4","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","ivacaftor dihydrate","ivacaftor dihydrate","","- C24 H32 N2 O5 -","- C24 H32 N2 O5 -","- C48 H64 N4 O10 -","2","1","","Doguparthi, Naga Prathyusha; Kanagavel, Manimurugan; Samreen, Sabiqa; Navya, Yaramala; Soujanya, Yarasi; Swain, Debasish; Nechipadappu, Sunil Kumar","Crystal engineering of the cystic fibrosis drug ivacaftor: salts, solvates and hydrate forms with solubility and stability studies","CrystEngComm","2026","28","10","1621","1635","10.1039/D5CE01068C","","","0.71073","MoKα","","0.171","0.075","","","0.1356","0.1636","","","","","","1.054","","","","has coordinates","305337","2026-04-05","11:54:56",""
"7251471","7.072","0.0017","9.552","0.002","20.43","0.005","78.051","0.007","80.463","0.007","69.442","0.007","1257.7","0.5","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","ivacaftor ethylene glycol","","- C26 H34 N2 O5 -","- C26 H34 N2 O5 -","- C52 H68 N4 O10 -","2","1","","Doguparthi, Naga Prathyusha; Kanagavel, Manimurugan; Samreen, Sabiqa; Navya, Yaramala; Soujanya, Yarasi; Swain, Debasish; Nechipadappu, Sunil Kumar","Crystal engineering of the cystic fibrosis drug ivacaftor: salts, solvates and hydrate forms with solubility and stability studies","CrystEngComm","2026","28","10","1621","1635","10.1039/D5CE01068C","","","0.71073","MoKα","","0.1045","0.0541","","","0.1414","0.1692","","","","","","1.045","","","","has coordinates","305337","2026-04-05","11:54:56",""
"7251472","17.796","0.002","6.5459","0.0009","25.136","0.003","90","","109.131","0.007","90","","2766.4","0.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","ivacaftor di acetic acid solvate","","- C28 H36 N2 O7 -","- C28 H36 N2 O7 -","- C112 H144 N8 O28 -","4","1","","Doguparthi, Naga Prathyusha; Kanagavel, Manimurugan; Samreen, Sabiqa; Navya, Yaramala; Soujanya, Yarasi; Swain, Debasish; Nechipadappu, Sunil Kumar","Crystal engineering of the cystic fibrosis drug ivacaftor: salts, solvates and hydrate forms with solubility and stability studies","CrystEngComm","2026","28","10","1621","1635","10.1039/D5CE01068C","","","1.54184","CuKα","","0.0805","0.0477","","","0.1268","0.14","","","","","","1.039","","","","has coordinates","305337","2026-04-05","11:54:56",""
"7251473","28.4445","0.0015","9.0341","0.0005","10.3513","0.0004","90","","90","","90","","2660","0.2","294","2","294","2","","","","","","","","5","P n a 21","P 2c -2n","33","","ivacaftor hydrobromide acetic acid solvate","","- C26 H33 Br N2 O5 -","- C26 H33 Br N2 O5 -","- C104 H132 Br4 N8 O20 -","4","1","","Doguparthi, Naga Prathyusha; Kanagavel, Manimurugan; Samreen, Sabiqa; Navya, Yaramala; Soujanya, Yarasi; Swain, Debasish; Nechipadappu, Sunil Kumar","Crystal engineering of the cystic fibrosis drug ivacaftor: salts, solvates and hydrate forms with solubility and stability studies","CrystEngComm","2026","28","10","1621","1635","10.1039/D5CE01068C","","","0.71073","MoKα","","0.0945","0.0422","","","0.0788","0.0962","","","","","","1.025","","","","has coordinates","305337","2026-04-05","11:54:56",""
"7251474","7.201","0.003","9.608","0.004","15.507","0.008","90","","103.18","0.04","90","","1044.6","0.8","120","","120","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C6 H4 Ag2 N4 O6 S -","- C6 H4 Ag2 N4 O6 S -","- C24 H16 Ag8 N16 O24 S4 -","4","0.5","","Alfuth, Jan; Chojnacki, Jarosław; Połoński, Tadeusz; Olszewska, Teresa","Structural diversity of supramolecular networks composed of 2,1,3-chalcogenadiazole silver(i) complexes: the role of chalcogen bonding in molecular self–assembly","CrystEngComm","2026","28","7","1206","1214","10.1039/D5CE00963D","","","0.71073","MoKα","","0.0255","0.0238","","","0.0636","0.0647","","","","","","1.044","","","","has coordinates","304899","2026-03-05","12:43:12",""
"7251475","3.814","0.0004","10.3541","0.001","14.2499","0.0014","92.62","0.008","95.335","0.008","94.139","0.008","558.06","0.1","120","","120","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H14 Ag Cl N4 O5 Se2 -","- C20 H14 Ag Cl N4 O5 Se2 -","- C20 H14 Ag Cl N4 O5 Se2 -","1","0.5","","Alfuth, Jan; Chojnacki, Jarosław; Połoński, Tadeusz; Olszewska, Teresa","Structural diversity of supramolecular networks composed of 2,1,3-chalcogenadiazole silver(i) complexes: the role of chalcogen bonding in molecular self–assembly","CrystEngComm","2026","28","7","1206","1214","10.1039/D5CE00963D","","","0.71073","MoKα","","0.0972","0.0589","","","0.1334","0.1565","","","","","","1.058","","","","has coordinates,has disorder","304899","2026-03-05","12:43:13",""
"7251476","12.2862","0.0004","10.8853","0.0003","15.1578","0.0005","90","","100.846","0.003","90","","1990.98","0.11","120","","120","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H22 Ag2 F12 N10 Sb2 Se4 -","- C28 H22 Ag2 F12 N10 Sb2 Se4 -","- C56 H44 Ag4 F24 N20 Sb4 Se8 -","2","0.5","","Alfuth, Jan; Chojnacki, Jarosław; Połoński, Tadeusz; Olszewska, Teresa","Structural diversity of supramolecular networks composed of 2,1,3-chalcogenadiazole silver(i) complexes: the role of chalcogen bonding in molecular self–assembly","CrystEngComm","2026","28","7","1206","1214","10.1039/D5CE00963D","","x-ray","0.71073","MoKα","","0.0294","0.0241","","","0.054","0.0566","","","","","","1.061","","","","has coordinates","304899","2026-03-05","12:43:14",""
"7251477","7.4983","0.001","9.4191","0.0012","16.203","0.002","91.584","0.01","90.423","0.01","104.261","0.01","1108.6","0.3","120","","120","","","","","","","","","7","P -1","-P 1","2","","","","- C44 H30 Ag2 Cl2 N10 O8 S4 -","- C44 H30 Ag2 Cl2 N10 O8 S4 -","- C44 H30 Ag2 Cl2 N10 O8 S4 -","1","0.5","","Alfuth, Jan; Chojnacki, Jarosław; Połoński, Tadeusz; Olszewska, Teresa","Structural diversity of supramolecular networks composed of 2,1,3-chalcogenadiazole silver(i) complexes: the role of chalcogen bonding in molecular self–assembly","CrystEngComm","2026","28","7","1206","1214","10.1039/D5CE00963D","","x-ray","0.71073","MoKα","","0.037","0.0341","","","0.0885","0.0921","","","","","","1.055","","","","has coordinates","304899","2026-03-05","12:43:14",""
"7251478","7.4239","0.0019","13.407","0.004","20.291","0.005","107.42","0.02","98.47","0.02","93.08","0.02","1895.7","0.9","120","","120","","","","","","","","","7","P -1","-P 1","2","","","","- C16 H16 Ag Cl N4 O4 Se2 -","- C16 H16 Ag Cl N4 O4 Se2 -","- C64 H64 Ag4 Cl4 N16 O16 Se8 -","4","2","","Alfuth, Jan; Chojnacki, Jarosław; Połoński, Tadeusz; Olszewska, Teresa","Structural diversity of supramolecular networks composed of 2,1,3-chalcogenadiazole silver(i) complexes: the role of chalcogen bonding in molecular self–assembly","CrystEngComm","2026","28","7","1206","1214","10.1039/D5CE00963D","","","0.71073","MoKα","","0.1195","0.1006","","","0.2235","0.2341","","","","","","1.184","","","","has coordinates","304899","2026-03-05","12:43:14",""
"7251479","7.1843","0.0005","9.6347","0.0004","15.7023","0.0011","90","","102.367","0.006","90","","1061.67","0.12","120","","120","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C6 H4 Ag2 N4 O6 Se -","- C6 H4 Ag2 N4 O6 Se -","- C24 H16 Ag8 N16 O24 Se4 -","4","0.5","","Alfuth, Jan; Chojnacki, Jarosław; Połoński, Tadeusz; Olszewska, Teresa","Structural diversity of supramolecular networks composed of 2,1,3-chalcogenadiazole silver(i) complexes: the role of chalcogen bonding in molecular self–assembly","CrystEngComm","2026","28","7","1206","1214","10.1039/D5CE00963D","","","0.71073","MoKα","","0.027","0.0245","","","0.0657","0.0685","","","","","","1.081","","","","has coordinates","304899","2026-03-05","12:43:14",""
"7251480","6.88","0.002","12.017","0.005","6.963","0.0019","90","","117.27","0.02","90","","511.7","0.3","120","","120","","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C10 H6 Ag N3 O3 Se -","- C10 H6 Ag N3 O3 Se -","- C20 H12 Ag2 N6 O6 Se2 -","2","0.5","","Alfuth, Jan; Chojnacki, Jarosław; Połoński, Tadeusz; Olszewska, Teresa","Structural diversity of supramolecular networks composed of 2,1,3-chalcogenadiazole silver(i) complexes: the role of chalcogen bonding in molecular self–assembly","CrystEngComm","2026","28","7","1206","1214","10.1039/D5CE00963D","","","0.71073","MoKα","","0.0825","0.0756","","","0.1899","0.2016","","","","","","1.063","","","","has coordinates","304899","2026-03-05","12:43:14",""
"7251481","7.8775","0.0005","10.6277","0.0006","12.0636","0.0007","68.86","0.004","88.968","0.005","69.456","0.005","875.25","0.1","120","2","120","","","","","","","","","7","P -1","-P 1","2","","","","- C14 H11 Ag B F4 N5 Se2 -","- C14 H11 Ag B F4 N5 Se2 -","- C28 H22 Ag2 B2 F8 N10 Se4 -","2","1","","Alfuth, Jan; Chojnacki, Jarosław; Połoński, Tadeusz; Olszewska, Teresa","Structural diversity of supramolecular networks composed of 2,1,3-chalcogenadiazole silver(i) complexes: the role of chalcogen bonding in molecular self–assembly","CrystEngComm","2026","28","7","1206","1214","10.1039/D5CE00963D","","","0.71073","MoKα","","0.0491","0.0382","","","0.0914","0.0955","","","","","","1.153","","","","has coordinates","304899","2026-03-05","12:43:14",""
"7251482","6.9919","0.0004","11.3238","0.0006","10.4854","0.0005","90","","106.456","0.004","90","","796.17","0.07","120","","120","","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C12 H10 Ag B F4 N4 O S2 -","- C12 H10 Ag B F4 N4 O S2 -","- C24 H20 Ag2 B2 F8 N8 O2 S4 -","2","1","","Alfuth, Jan; Chojnacki, Jarosław; Połoński, Tadeusz; Olszewska, Teresa","Structural diversity of supramolecular networks composed of 2,1,3-chalcogenadiazole silver(i) complexes: the role of chalcogen bonding in molecular self–assembly","CrystEngComm","2026","28","7","1206","1214","10.1039/D5CE00963D","","","0.71073","MoKα","","0.0216","0.021","","","0.0545","0.0548","","","","","","1.035","","","","has coordinates","304899","2026-03-05","12:43:14",""
"7251483","7.3648","0.0008","9.9357","0.0011","11.3068","0.0014","96.414","0.009","91.408","0.009","104.754","0.009","793.87","0.16","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C14 H12 Ag N5 O3 Se2 -","- C14 H12 Ag N5 O3 Se2 -","- C28 H24 Ag2 N10 O6 Se4 -","2","1","","Alfuth, Jan; Chojnacki, Jarosław; Połoński, Tadeusz; Olszewska, Teresa","Structural diversity of supramolecular networks composed of 2,1,3-chalcogenadiazole silver(i) complexes: the role of chalcogen bonding in molecular self–assembly","CrystEngComm","2026","28","7","1206","1214","10.1039/D5CE00963D","","","0.71073","MoKα","","0.0347","0.0318","","","0.0849","0.0867","","","","","","1.046","","","","has coordinates","304899","2026-03-05","12:43:14",""
"7251484","6.7953","0.0004","35.947","0.002","13.5656","0.0008","90","","101.474","0.005","90","","3247.5","0.3","120","","120","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H18 Ag3 N9 O9 S3 -","- C30 H18 Ag3 N9 O9 S3 -","- C120 H72 Ag12 N36 O36 S12 -","4","1","","Alfuth, Jan; Chojnacki, Jarosław; Połoński, Tadeusz; Olszewska, Teresa","Structural diversity of supramolecular networks composed of 2,1,3-chalcogenadiazole silver(i) complexes: the role of chalcogen bonding in molecular self–assembly","CrystEngComm","2026","28","7","1206","1214","10.1039/D5CE00963D","","","0.71073","MoKα","","0.0433","0.0365","","","0.0933","0.1003","","","","","","1.091","","","","has coordinates","304899","2026-03-05","12:43:14",""
"7251485","13.3558","0.0005","7.1039","0.0003","23.5974","0.0014","90","","90","","90","","2238.88","0.18","120","2","120","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C8 H10 Ag N3 O4 Se -","- C8 H10 Ag N3 O4 Se -","- C64 H80 Ag8 N24 O32 Se8 -","8","1","","Alfuth, Jan; Chojnacki, Jarosław; Połoński, Tadeusz; Olszewska, Teresa","Structural diversity of supramolecular networks composed of 2,1,3-chalcogenadiazole silver(i) complexes: the role of chalcogen bonding in molecular self–assembly","CrystEngComm","2026","28","7","1206","1214","10.1039/D5CE00963D","","","0.71073","MoKα","","0.0847","0.0762","","","0.1916","0.2005","","","","","","1.113","","","","has coordinates","304899","2026-03-05","12:43:14",""
"7251486","7.0765","0.0018","14.922","0.003","17.437","0.003","90","","98.577","0.018","90","","1820.7","0.7","120","2","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 Ag N5 O3 Se2 -","- C16 H16 Ag N5 O3 Se2 -","- C64 H64 Ag4 N20 O12 Se8 -","4","1","","Alfuth, Jan; Chojnacki, Jarosław; Połoński, Tadeusz; Olszewska, Teresa","Structural diversity of supramolecular networks composed of 2,1,3-chalcogenadiazole silver(i) complexes: the role of chalcogen bonding in molecular self–assembly","CrystEngComm","2026","28","7","1206","1214","10.1039/D5CE00963D","","","0.71073","MoKα","","0.1405","0.1253","","","0.3444","0.3516","","","","","","1.265","","","","has coordinates","304899","2026-03-05","12:43:14",""
"7251487","7.456","0.004","21.169","0.011","11.074","0.005","90","","109.36","0.03","90","","1649","1.5","120","2","120","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 Ag2 N10 O6 Se4 -","- C28 H24 Ag2 N10 O6 Se4 -","- C56 H48 Ag4 N20 O12 Se8 -","2","0.5","","Alfuth, Jan; Chojnacki, Jarosław; Połoński, Tadeusz; Olszewska, Teresa","Structural diversity of supramolecular networks composed of 2,1,3-chalcogenadiazole silver(i) complexes: the role of chalcogen bonding in molecular self–assembly","CrystEngComm","2026","28","7","1206","1214","10.1039/D5CE00963D","","","0.71073","MoKα","","0.1582","0.0887","","","0.204","0.2521","","","","","","1.022","","","","has coordinates","304899","2026-03-05","12:43:14",""
"7251488","12.7047","0.0009","8.0199","0.0005","16.4944","0.0012","90","","105.648","0.003","90","","1618.33","0.19","295","2","295","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H21 N3 O S -","- C17 H21 N3 O S -","- C68 H84 N12 O4 S4 -","4","1","","Joshi, Kirthi; Sangwan, Shruti; Jose, K. V. Jovan; Agarwal, Vipin.; Nangia, Ashwini K.","Solid-state conformations of pharmaceutical polymorphs in solution: validation and invalidation by NMR.","CrystEngComm","2026","28","8","1339","1350","10.1039/D5CE01120E","","","0.71073","MoKα","","0.089","0.0819","","","0.2349","0.2389","","","","","","1.166","","","","has coordinates","304893","2026-03-05","12:36:33",""
"7251489","13.9971","0.0004","16.3389","0.0005","7.7318","0.0002","90","","114.482","0.001","90","","1609.26","0.08","296","2","296","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C17 H21 N3 O S -","- C17 H21 N3 O S -","- C68 H84 N12 O4 S4 -","4","1","","Joshi, Kirthi; Sangwan, Shruti; Jose, K. V. Jovan; Agarwal, Vipin.; Nangia, Ashwini K.","Solid-state conformations of pharmaceutical polymorphs in solution: validation and invalidation by NMR.","CrystEngComm","2026","28","8","1339","1350","10.1039/D5CE01120E","","","0.71073","MoKα","","0.0629","0.0598","","","0.1492","0.1518","","","","","","1.134","","","","has coordinates","304893","2026-03-05","12:36:33",""
"7251490","7.325","0.005","12.993","0.006","16.832","0.011","90","","90","","90","","1602","1.7","296","2","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 N3 O S -","- C17 H21 N3 O S -","- C68 H84 N12 O4 S4 -","4","1","","Joshi, Kirthi; Sangwan, Shruti; Jose, K. V. Jovan; Agarwal, Vipin.; Nangia, Ashwini K.","Solid-state conformations of pharmaceutical polymorphs in solution: validation and invalidation by NMR.","CrystEngComm","2026","28","8","1339","1350","10.1039/D5CE01120E","","","0.71073","MoKα","","0.105","0.0634","","","0.1458","0.1654","","","","","","1.018","","","","has coordinates","304893","2026-03-05","12:36:33",""
"7251491","12.8268","0.0008","12.8268","0.0008","25.8853","0.0019","90","","90","","90","","4258.8","0.5","200","","200","","","","","","","","","5","I 4/m","-I 4","87","","","","- C12 H11 N9 O4 Zn2 -","- C12 H11 N9 O4 Zn2 -","- C96 H88 N72 O32 Zn16 -","8","0.5","","Bu, Qiyi; Zhang, Yushu; Wang, Li; Liu, Jiaqi; Wang, Yong; Li, Jinping","A triazolate-based MOF with amino-induced triazolate reorientation enabling pore-size regulation for CO2/CH4 separation","CrystEngComm","2026","28","9","1485","1488","10.1039/D5CE01209K","","","1.54178","CuKα","","0.05","0.0455","","","0.1408","0.146","","","","","","1.086","","","","has coordinates","304902","2026-03-05","12:44:11",""
"7251492","7.9684","0.0003","28.1002","0.0013","7.9792","0.0004","90","","100.755","0.003","90","","1755.27","0.14","295.66","","295.66","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H18 O13 Pb Re2 -","- C8 H18 O13 Pb Re2 -","- C32 H72 O52 Pb4 Re8 -","4","1","","Charkin, Dmitri; Grishaev, Vasili; Kireev, Vadim; Volkov, Sergey; Arsent'ev, Maxim; Vorobiev, Stepan; Gosteva, Alevtina; Kompanchenko, Alena; Khasanov, Kirill; Krzhizhanovskaya, Maria; Aksenov, Sergey; Petříček, Václav","The first lead perrhenate crown ether complex [Pb(12-crown-4)(H2O)(ReO4)2]: from rotation of the ReO4 tetrahedra in the (3 + 1)D space using constrained Legendre functions to rotation in the 3D space","CrystEngComm","2026","28","5","1000","1007","10.1039/D5CE01087J","","x-ray","0.71073","MoKα","","0.0688","0.0401","","","0.0374","0.0406","","","","1.8052","1.8052","1.6408","","","","has coordinates","304270","2026-02-12","22:12:58",""
"7251493","7.8703","0.0007","9.391","0.001","11.0106","0.0011","72.161","0.002","78.64","0.004","84.085","0.003","758.69","0.13","273.15","","273.15","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H21 N2 O6 -","- C13 H21 N2 O6 -","- C26 H42 N4 O12 -","2","1","","Zhang, Jing; Feng, Yi; Cao, Yun-Dong; Fan, Lin-Lin; Lv, Cai-Li; Cheng, Lei; Gao, Guang-Gang; Liu, Hong","Solvated pyromellitic acid-modified separator for stable lithium metal anodes and high-performance Li–S batteries","CrystEngComm","2026","28","6","1135","1146","10.1039/D5CE01148E","","","0.71073","MoKα","","0.1047","0.1041","","","0.2555","0.2563","","","","","","1.133","","","","has coordinates","304271","2026-02-12","22:13:29",""
"7251494","5.1128","0.0008","6.7751","0.0011","27.331","0.005","90","","90","","90","","946.7","0.3","105","2","104.8","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H11 F2 N O -","- C10 H11 F2 N O -","- C40 H44 F8 N4 O4 -","4","1","","Das, Prantika; Bhandary, Subhrajyoti; Mathew, Dona; Dutta, Arnab; Dhabhai, Kanu Priya; Seth, Saikat Kumar; Chopra, Deepak","Investigation of noncovalent interactions in organofluorine compounds with C–F bonds in different electronic environments","CrystEngComm","2026","28","9","1494","1507","10.1039/D5CE00838G","","x-ray","0.71073","MoKα","","0.058","0.0394","","","0.0786","0.0844","","","","","","1.036","","","","has coordinates","304903","2026-03-05","12:44:25",""
"7251495","5.1799","0.0014","9.618","0.003","10.442","0.003","81.822","0.009","80.772","0.009","74.442","0.009","492","0.2","94","2","94","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H11 F2 N O -","- C10 H11 F2 N O -","- C20 H22 F4 N2 O2 -","2","1","","Das, Prantika; Bhandary, Subhrajyoti; Mathew, Dona; Dutta, Arnab; Dhabhai, Kanu Priya; Seth, Saikat Kumar; Chopra, Deepak","Investigation of noncovalent interactions in organofluorine compounds with C–F bonds in different electronic environments","CrystEngComm","2026","28","9","1494","1507","10.1039/D5CE00838G","","x-ray","0.71073","MoKα","","0.1221","0.0548","","","0.1181","0.14","","","","","","1.047","","","","has coordinates,has disorder","304903","2026-03-05","12:44:25",""
"7251496","12.0624","0.0007","9.4612","0.0006","8.6588","0.0004","90","","90","","90","","988.18","0.1","103","2","103","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C10 H11 F2 N O -","- C10 H11 F2 N O -","- C40 H44 F8 N4 O4 -","4","1","","Das, Prantika; Bhandary, Subhrajyoti; Mathew, Dona; Dutta, Arnab; Dhabhai, Kanu Priya; Seth, Saikat Kumar; Chopra, Deepak","Investigation of noncovalent interactions in organofluorine compounds with C–F bonds in different electronic environments","CrystEngComm","2026","28","9","1494","1507","10.1039/D5CE00838G","","x-ray","0.71073","MoKα","","0.0519","0.0408","","","0.0989","0.1038","","","","","","1.044","","","","has coordinates","304903","2026-03-05","12:44:25",""
"7251497","9.51","0.0011","11.0959","0.0013","19.198","0.002","90","","102.991","0.004","90","","1974","0.4","102","2","102.4","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 F4 N2 O2 -","- C20 H22 F4 N2 O2 -","- C80 H88 F16 N8 O8 -","4","1","","Das, Prantika; Bhandary, Subhrajyoti; Mathew, Dona; Dutta, Arnab; Dhabhai, Kanu Priya; Seth, Saikat Kumar; Chopra, Deepak","Investigation of noncovalent interactions in organofluorine compounds with C–F bonds in different electronic environments","CrystEngComm","2026","28","9","1494","1507","10.1039/D5CE00838G","","x-ray","0.71073","MoKα","","0.0917","0.0477","","","0.0998","0.1156","","","","","","1.03","","","","has coordinates","304903","2026-03-05","12:44:25",""
"7251498","6.8391","0.0003","11.2218","0.0005","13.7253","0.0006","90","","90","","90","","1053.38","0.08","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H13 N O6 S -","- C8 H13 N O6 S -","- C32 H52 N4 O24 S4 -","4","1","","García-Raso, Ángel; Rocha, Mariana; Terrón, Ángel; Fiol, Juan J.; López-Zafra, Adela; Rodríguez, Carlos A.; Vázquez-López, Ezequiel M.; Barceló-Oliver, Miquel; Frontera, Antonio","The crucial role of lattice water in directing supramolecular networks of deferiprone analogues: a combined X-ray and DFT study","CrystEngComm","2026","28","5","951","961","10.1039/D5CE01136A","","","1.54178","CuKα","","0.0271","0.0271","","","0.0677","0.0677","","","","","","1.123","","","","has coordinates","304274","2026-02-12","22:14:16",""
"7251499","8.1875","0.0005","8.7569","0.0005","9.8704","0.0006","94.856","0.002","103.393","0.002","103.024","0.002","663.7","0.07","100","2","100","","","","","","","","","6","P -1","-P 1","2","","","","- C22 H34 Cl2 Cu N6 O8 -","- C22 H34 Cl2 Cu N6 O8 -","- C22 H34 Cl2 Cu N6 O8 -","1","0.5","","García-Raso, Ángel; Rocha, Mariana; Terrón, Ángel; Fiol, Juan J.; López-Zafra, Adela; Rodríguez, Carlos A.; Vázquez-López, Ezequiel M.; Barceló-Oliver, Miquel; Frontera, Antonio","The crucial role of lattice water in directing supramolecular networks of deferiprone analogues: a combined X-ray and DFT study","CrystEngComm","2026","28","5","951","961","10.1039/D5CE01136A","","","0.71073","MoKα","","0.0222","0.0222","","","0.0583","0.0584","","","","","","1.087","","","","has coordinates","304274","2026-02-12","22:14:17",""
"7251500","51.723","0.003","7.3982","0.0004","13.4262","0.0008","90","","97.297","0.002","90","","5096","0.5","100","2","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C7.33 H11.33 Cl0.67 N2 O2.33 -","- C7.33333 H11.3333 Cl0.666667 N2 O2.33333 -","- C176 H272 Cl16 N48 O56 -","24","3","","García-Raso, Ángel; Rocha, Mariana; Terrón, Ángel; Fiol, Juan J.; López-Zafra, Adela; Rodríguez, Carlos A.; Vázquez-López, Ezequiel M.; Barceló-Oliver, Miquel; Frontera, Antonio","The crucial role of lattice water in directing supramolecular networks of deferiprone analogues: a combined X-ray and DFT study","CrystEngComm","2026","28","5","951","961","10.1039/D5CE01136A","","","0.71073","MoKα","","0.0418","0.0389","","","0.1005","0.1025","","","","","","1.131","","","","has coordinates","304274","2026-02-12","22:14:17",""
"7251501","7.0597","0.0009","8.8765","0.0011","11.2263","0.0014","89.195","0.004","88.506","0.004","68.574","0.004","654.65","0.14","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C12 H17 N3 O6 -","- C12 H17 N3 O6 -","- C24 H34 N6 O12 -","2","1","","García-Raso, Ángel; Rocha, Mariana; Terrón, Ángel; Fiol, Juan J.; López-Zafra, Adela; Rodríguez, Carlos A.; Vázquez-López, Ezequiel M.; Barceló-Oliver, Miquel; Frontera, Antonio","The crucial role of lattice water in directing supramolecular networks of deferiprone analogues: a combined X-ray and DFT study","CrystEngComm","2026","28","5","951","961","10.1039/D5CE01136A","","","1.54178","CuKα","","0.053","0.0525","","","0.14","0.1405","","","","","","1.137","","","","has coordinates","304274","2026-02-12","22:14:17",""
"7251502","14.9208","0.0003","7.0913","0.0001","20.9159","0.0004","90","","97.395","0.001","90","","2194.66","0.07","150","","150","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 Br2 Cl5 I2 N2 Sb -","- C10 H10 Br2 Cl5 I2 N2 Sb -","- C40 H40 Br8 Cl20 I8 N8 Sb4 -","4","1","","Korobeynikov, Nikita A.; Usoltsev, Andrey N.; Sokolov, Maxim N.; Novikov, Alexander S.; Adonin, Sergey A.","Supramolecular diiodo-chlorometalates(iii) of group 15 elements with halogen-substituted pyridiniums: an interplay of cation⋯anion and I2⋯halometalate halogen bonds","CrystEngComm","2026","28","7","1197","1205","10.1039/D5CE01065A","","","0.71073","MoKα","","0.0569","0.0335","","","0.0598","0.0657","","","","","","1.025","","","","has coordinates","304898","2026-03-05","12:42:50",""
"7251503","14.5435","0.0003","7.1608","0.0002","20.82","0.0004","90","","96.131","0.001","90","","2155.86","0.09","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 Cl7 I2 N2 Sb -","- C10 H10 Cl7 I2 N2 Sb -","- C40 H40 Cl28 I8 N8 Sb4 -","4","1","","Korobeynikov, Nikita A.; Usoltsev, Andrey N.; Sokolov, Maxim N.; Novikov, Alexander S.; Adonin, Sergey A.","Supramolecular diiodo-chlorometalates(iii) of group 15 elements with halogen-substituted pyridiniums: an interplay of cation⋯anion and I2⋯halometalate halogen bonds","CrystEngComm","2026","28","7","1197","1205","10.1039/D5CE01065A","","","0.71073","MoKα","","0.0466","0.0324","","","0.0526","0.0579","","","","","","1.057","","","","has coordinates","304898","2026-03-05","12:42:51",""
"7251504","14.89","0.0005","7.1531","0.0002","20.9598","0.0007","90","","98.109","0.001","90","","2210.1","0.12","150","","150","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 Bi Br2 Cl5 I2 N2 -","- C10 H10 Bi Br2 Cl5 I2 N2 -","- C40 H40 Bi4 Br8 Cl20 I8 N8 -","4","1","","Korobeynikov, Nikita A.; Usoltsev, Andrey N.; Sokolov, Maxim N.; Novikov, Alexander S.; Adonin, Sergey A.","Supramolecular diiodo-chlorometalates(iii) of group 15 elements with halogen-substituted pyridiniums: an interplay of cation⋯anion and I2⋯halometalate halogen bonds","CrystEngComm","2026","28","7","1197","1205","10.1039/D5CE01065A","","","0.71073","MoKα","","0.0487","0.0324","","","0.057","0.0606","","","","","","1.036","","","","has coordinates","304898","2026-03-05","12:42:51",""
"7251505","14.5781","0.0002","7.2057","0.0001","20.8721","0.0004","90","","97.312","0.001","90","","2174.69","0.06","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 Bi Cl7 I2 N2 -","- C10 H10 Bi Cl7 I2 N2 -","- C40 H40 Bi4 Cl28 I8 N8 -","4","1","","Korobeynikov, Nikita A.; Usoltsev, Andrey N.; Sokolov, Maxim N.; Novikov, Alexander S.; Adonin, Sergey A.","Supramolecular diiodo-chlorometalates(iii) of group 15 elements with halogen-substituted pyridiniums: an interplay of cation⋯anion and I2⋯halometalate halogen bonds","CrystEngComm","2026","28","7","1197","1205","10.1039/D5CE01065A","","","0.71073","MoKα","","0.0396","0.0274","","","0.0512","0.0544","","","","","","1.029","","","","has coordinates","304898","2026-03-05","12:42:51",""
"7251506","14.665","0.002","10.8323","0.0015","15.619","0.002","90","","105.691","0.016","90","","2388.7","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H21 Cd2 Cl4 N5 O -","- C19 H21 Cd2 Cl4 N5 O -","- C76 H84 Cd8 Cl16 N20 O4 -","4","1","","Liu, Tong; Jing, Xue-Mei; Chen, Jia-Li; Ding, Xue-Yao; Han, Song-De; Xue, Zhen-Zhen; Huang, Hong-Hua; Pan, Jie","Room temperature phosphorescence and photochromism in a series of pyridine-based hybrid compounds","CrystEngComm","2026","28","3","748","761","10.1039/D5CE01077B","","","0.71073","MoKα","","0.1154","0.0667","","","0.1391","0.1776","","","","","","1.004","","","","has coordinates","304276","2026-02-12","22:15:21",""
"7251507","10.201","0.0006","9.3121","0.0005","18.5118","0.0011","90","","98.526","0.005","90","","1739.05","0.17","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 Cd3 Cl6 N8 -","- C30 H24 Cd3 Cl6 N8 -","- C60 H48 Cd6 Cl12 N16 -","2","0.5","","Liu, Tong; Jing, Xue-Mei; Chen, Jia-Li; Ding, Xue-Yao; Han, Song-De; Xue, Zhen-Zhen; Huang, Hong-Hua; Pan, Jie","Room temperature phosphorescence and photochromism in a series of pyridine-based hybrid compounds","CrystEngComm","2026","28","3","748","761","10.1039/D5CE01077B","","x-ray","0.71073","MoKα","","0.0733","0.0412","","","0.0868","0.1055","","","","","","1.14","","","","has coordinates","304276","2026-02-12","22:15:21",""
"7251508","27.4056","0.0007","10.3739","0.0003","16.0893","0.0005","90","","93.455","0.003","90","","4565.9","0.2","300","2","300","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 Cd N7 O7 -","- C19 H21 Cd N7 O7 -","- C152 H168 Cd8 N56 O56 -","8","2","","Liu, Tong; Jing, Xue-Mei; Chen, Jia-Li; Ding, Xue-Yao; Han, Song-De; Xue, Zhen-Zhen; Huang, Hong-Hua; Pan, Jie","Room temperature phosphorescence and photochromism in a series of pyridine-based hybrid compounds","CrystEngComm","2026","28","3","748","761","10.1039/D5CE01077B","","","0.71073","MoKα","","0.1244","0.1142","","","0.2984","0.3035","","","","","","1.193","","","","has coordinates","304276","2026-02-12","22:15:21",""
"7251509","10.3394","0.0002","15.8855","0.0002","27.2314","0.0004","90","","90","","90","","4472.66","0.12","300.55","0.1","300.55","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H19 Cd N7 O7 -","- C18 H19 Cd N7 O7 -","- C144 H152 Cd8 N56 O56 -","8","1","","Liu, Tong; Jing, Xue-Mei; Chen, Jia-Li; Ding, Xue-Yao; Han, Song-De; Xue, Zhen-Zhen; Huang, Hong-Hua; Pan, Jie","Room temperature phosphorescence and photochromism in a series of pyridine-based hybrid compounds","CrystEngComm","2026","28","3","748","761","10.1039/D5CE01077B","","x-ray","1.54184","CuKα","","0.0426","0.0365","","","0.0979","0.1025","","","","","","1.0385","","","","has coordinates","304276","2026-02-12","22:15:21",""
"7251510","5.2167","0.0009","16.333","0.003","8.1547","0.0013","90","","98.052","0.005","90","","688","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C5 H5 O6 Zn -","- C5 H5 O6 Zn -","- C20 H20 O24 Zn4 -","4","1","","Vakil, Farhat; Aldauij, Omar K.; Afzal, Asif; Kumar, Manjeet; Ansari, Azaj; Shahid, M.; Abdelrahman, Ehab A.","A Zn-based MOF with honeycomb topology for highly efficient iodine uptake from vapor and liquid phases: synthesis, crystal structure, topology and dual-phase sorption performance","CrystEngComm","2026","28","6","1147","1162","10.1039/D6CE00010J","","","0.71073","MoKα","","0.0244","0.0224","","","0.0581","0.0594","","","","","","1.0535","","","","has coordinates","304277","2026-02-12","22:15:41",""
"7251511","9.6784","0.0003","10.806","0.0003","17.5157","0.0005","77.538","0.002","78.893","0.002","78.392","0.002","1730.68","0.09","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C43 H34 N6 O7 -","- C43 H34 N6 O7 -","- C86 H68 N12 O14 -","2","1","","Wzgarda-Raj, Kinga","Supramolecular interactions and aromaticity in phenazine–hydroxybenzoic acid co-crystals","CrystEngComm","2026","28","11","1791","1800","10.1039/D5CE01177A","","","1.54184","CuKα","","0.0855","0.0738","","","0.2015","0.2078","","","","","","1.057","","","","has coordinates","305348","2026-04-05","11:59:28",""
"7251512","8.6222","0.0002","16.8759","0.0004","20.4571","0.0005","69.73","0.002","83.52","0.002","80.248","0.002","2747.24","0.12","99.96","0.18","99.96","0.18","","","","","","","","4","P -1","-P 1","2","","","","- C69 H50 N8 O9 -","- C69 H50 N8 O9 -","- C138 H100 N16 O18 -","2","1","","Wzgarda-Raj, Kinga","Supramolecular interactions and aromaticity in phenazine–hydroxybenzoic acid co-crystals","CrystEngComm","2026","28","11","1791","1800","10.1039/D5CE01177A","","x-ray","1.54184","CuKα","","0.0788","0.0702","","","0.2002","0.2118","","","","","","1.071","","","","has coordinates","305348","2026-04-05","11:59:28",""
"7251513","5.854","0.0001","16.7182","0.0004","9.2006","0.0002","90","","101.171","0.0008","90","","883.39","0.03","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H10 N4 O4 -","- C7 H10 N4 O4 -","- C28 H40 N16 O16 -","4","1","","Churakov, Andrei V.; Mikhaylov, Alexey A.; Mel'nik, Elena A.; Egorov, Pavel A.; Lev, Ovadia; Medvedev, Alexander G.; Prikhodchenko, Petr V.","Peroxosolvates of purine derivatives: structural insights into possible H2O2-purine interactions in biological systems","CrystEngComm","2026","28","6","1115","1124","10.1039/D5CE01073J","","","0.71073","MoKα","","0.0425","0.039","","","0.1082","0.1113","","","","","","1.071","","","","has coordinates","304279","2026-02-12","22:16:28",""
"7251514","13.6261","0.0003","7.1632","0.0001","18.3896","0.0003","90","","90","","90","","1794.94","0.06","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C7 H10 N4 O4 -","- C7 H10 N4 O4 -","- C56 H80 N32 O32 -","8","1","","Churakov, Andrei V.; Mikhaylov, Alexey A.; Mel'nik, Elena A.; Egorov, Pavel A.; Lev, Ovadia; Medvedev, Alexander G.; Prikhodchenko, Petr V.","Peroxosolvates of purine derivatives: structural insights into possible H2O2-purine interactions in biological systems","CrystEngComm","2026","28","6","1115","1124","10.1039/D5CE01073J","","","0.71073","MoKα","","0.0378","0.0355","","","0.0942","0.0961","","","","","","1.074","","","","has coordinates","304279","2026-02-12","22:16:28",""
"7251515","7.2682","0.0003","7.4476","0.0003","15.3478","0.0006","89.808","0.002","77.703","0.002","65.604","0.001","735.9","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H14 N8 O8 -","- C10 H14 N8 O8 -","- C20 H28 N16 O16 -","2","1","","Churakov, Andrei V.; Mikhaylov, Alexey A.; Mel'nik, Elena A.; Egorov, Pavel A.; Lev, Ovadia; Medvedev, Alexander G.; Prikhodchenko, Petr V.","Peroxosolvates of purine derivatives: structural insights into possible H2O2-purine interactions in biological systems","CrystEngComm","2026","28","6","1115","1124","10.1039/D5CE01073J","","","0.71073","MoKα","","0.0447","0.0382","","","0.0974","0.101","","","","","","1.055","","","","has coordinates","304279","2026-02-12","22:16:28",""
"7251516","6.2828","0.0004","7.0513","0.0004","14.9231","0.0008","85.761","0.002","88.382","0.002","65.266","0.002","598.83","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H10 N8 O4 -","- C10 H10 N8 O4 -","- C20 H20 N16 O8 -","2","1","","Churakov, Andrei V.; Mikhaylov, Alexey A.; Mel'nik, Elena A.; Egorov, Pavel A.; Lev, Ovadia; Medvedev, Alexander G.; Prikhodchenko, Petr V.","Peroxosolvates of purine derivatives: structural insights into possible H2O2-purine interactions in biological systems","CrystEngComm","2026","28","6","1115","1124","10.1039/D5CE01073J","","","0.71073","MoKα","","0.085","0.0581","","","0.1445","0.1562","","","","","","1.112","","","","has coordinates","304279","2026-02-12","22:16:29",""
"7251517","20.1096","0.0008","6.5746","0.0003","20.4108","0.0008","90","","102.085","0.0014","90","","2638.76","0.19","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H15 N5 O4 -","- C12 H15 N5 O4 -","- C96 H120 N40 O32 -","8","2","","Churakov, Andrei V.; Mikhaylov, Alexey A.; Mel'nik, Elena A.; Egorov, Pavel A.; Lev, Ovadia; Medvedev, Alexander G.; Prikhodchenko, Petr V.","Peroxosolvates of purine derivatives: structural insights into possible H2O2-purine interactions in biological systems","CrystEngComm","2026","28","6","1115","1124","10.1039/D5CE01073J","","","0.71073","MoKα","","0.061","0.0481","","","0.1086","0.1148","","","","","","1.109","","","","has coordinates,has disorder","304279","2026-02-12","22:16:29",""
"7251518","46.4009","0.0019","6.3419","0.0002","22.613","0.0009","90","","91.963","0.001","90","","6650.4","0.4","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C84 H68 Cd3 N2 O16 -","- C84 H68 Cd3 N2 O16 -","- C336 H272 Cd12 N8 O64 -","4","1","","Luo, Yuqian; Lu, Yongyang; Wu, Ziqiang; Ye, Chunyin; Zhang, ChuanLei","Flexible-functionalized Cd-MOFs for photocatalytic CO2 reduction: tuning framework flexibility via ligand design","CrystEngComm","2026","28","4","912","918","10.1039/D5CE00937E","","","0.71073","MoKα","","0.0322","0.0307","","","0.0741","0.0752","","","","","","1.021","","","","has coordinates","304280","2026-02-12","22:17:12",""
"7251519","8.3514","0.0008","8.029","0.0007","10.685","0.001","90","","102.056","0.003","90","","700.66","0.11","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C4 H14 Cu N12 O8 -","- C4 H14 Cu N12 O8 -","- C8 H28 Cu2 N24 O16 -","2","0.5","","Yang, Feng; He, Zhiwei; Zhang, Rongzheng; Wang, Quan","MOFs with hydrazide and 3-amino-1,2,4-oxadiazole-substituted hydroxytetrazole as novel nitrogen-rich ligands: a new class of energetic materials for ammonium perchlorate decomposition catalysis","CrystEngComm","2026","28","12","1931","1937","10.1039/D5CE01001B","","","0.71073","MoKα","","0.0388","0.0283","","","0.0718","0.0759","","","","","","1.066","","","","has coordinates","305349","2026-04-05","11:59:42",""
"7251520","4.8266","0.0004","21.9823","0.0018","6.3898","0.0005","90","","106.562","0.002","90","","649.83","0.09","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C3 H2 Ag N7 O2 -","- C3 H2 Ag N7 O2 -","- C12 H8 Ag4 N28 O8 -","4","1","","Yang, Feng; He, Zhiwei; Zhang, Rongzheng; Wang, Quan","MOFs with hydrazide and 3-amino-1,2,4-oxadiazole-substituted hydroxytetrazole as novel nitrogen-rich ligands: a new class of energetic materials for ammonium perchlorate decomposition catalysis","CrystEngComm","2026","28","12","1931","1937","10.1039/D5CE01001B","","","0.71073","MoKα","","0.0441","0.0398","","","0.0791","0.0806","","","","","","1.163","","","","has coordinates","305349","2026-04-05","11:59:42",""
"7251521","8.0601","0.0004","9.1901","0.0005","10.8846","0.0006","90","","91.301","0.002","90","","806.05","0.07","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H12 Cu N14 O8 -","- C6 H12 Cu N14 O8 -","- C12 H24 Cu2 N28 O16 -","2","0.5","","Yang, Feng; He, Zhiwei; Zhang, Rongzheng; Wang, Quan","MOFs with hydrazide and 3-amino-1,2,4-oxadiazole-substituted hydroxytetrazole as novel nitrogen-rich ligands: a new class of energetic materials for ammonium perchlorate decomposition catalysis","CrystEngComm","2026","28","12","1931","1937","10.1039/D5CE01001B","","","0.71073","MoKα","","0.0394","0.0281","","","0.0701","0.075","","","","","","1.035","","","","has coordinates","305349","2026-04-05","11:59:42",""
"7251522","4.8588","0.0003","8.3454","0.0004","13.9313","0.0007","90","","93.658","0.002","90","","563.74","0.05","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C2 H3 Ag N6 O2 -","- C2 H3 Ag N6 O2 -","- C8 H12 Ag4 N24 O8 -","4","1","","Yang, Feng; He, Zhiwei; Zhang, Rongzheng; Wang, Quan","MOFs with hydrazide and 3-amino-1,2,4-oxadiazole-substituted hydroxytetrazole as novel nitrogen-rich ligands: a new class of energetic materials for ammonium perchlorate decomposition catalysis","CrystEngComm","2026","28","12","1931","1937","10.1039/D5CE01001B","","","0.71073","MoKα","","0.0319","0.0259","","","0.057","0.0593","","","","","","1.08","","","","has coordinates","305349","2026-04-05","11:59:42",""
"7251523","9.7827","0.0004","11.0949","0.0005","12.8327","0.0006","64.981","0.002","77.088","0.002","85.954","0.002","1229.78","0.1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C13 H18 Cl N13 O7 Pb2 S2 -","- C13 H18 Cl N13 O7 Pb2 S2 -","- C26 H36 Cl2 N26 O14 Pb4 S4 -","2","1","","Mahmoudi, Ghodrat; Garcia-Santos, Isabel; Iglesias-Pereiro, Tamara; Castiñeiras, Alfonso; Gurbanov, Atash V.; Tutar, Ömer Faruk; Zangrando, Ennio; Panova, Elizaveta V.; Frontera, Antonio; Safin, Damir A.","A lead(ii) supramolecular coordination polymer, obtained from polydonor N′-(amino(pyrazin-2-yl)methylene)thiosemicarbazide, stabilized by tetrel bonds and other non-covalent interactions","CrystEngComm","2026","28","8","1383","1393","10.1039/D6CE00003G","","","0.71073","MoKα","","0.0197","0.0149","","","0.0272","0.0284","","","","","","1.064","","","","has coordinates","304895","2026-03-05","12:37:05",""
"7251524","6.9004","0.0001","10.0094","0.0002","13.4169","0.0002","69.587","0.001","85.819","0.001","89.459","0.001","866.06","0.03","173","","173","","","","","","","","","6","P 1","P 1","1","","","","- C23 H42 N7 Ni O19 P -","- C23 H42 N7 Ni O19 P -","- C23 H42 N7 Ni O19 P -","1","1","","Lv, Jialin; Shan, Penghua; Lan, Ruoning; Zhu, Yirui; Hu, Qian; Li, Zhongkui; Han, Ju; Lian, Zeyu; Zhu, Yanhong","Controllable construction of base pairing and chirality study in supramolecular assemblies based on guanine nucleotides","CrystEngComm","2026","28","7","1286","1298","10.1039/D5CE00978B","","","1.54178","CuKα","","0.0802","0.0696","","","0.1973","0.2263","","","","","","1.152","","","","has coordinates,has disorder","304901","2026-03-05","12:43:59",""
"7251525","7.0184","0.0004","10.1341","0.0006","13.6387","0.0008","70.336","0.002","88.826","0.002","88.08","0.002","912.93","0.09","296.15","","296.15","","","","","","","","","6","P 1","P 1","1","","","","- C22 H46 Mn N7 O20 P -","- C22 H46 Mn N7 O20 P -","- C22 H46 Mn N7 O20 P -","1","1","","Lv, Jialin; Shan, Penghua; Lan, Ruoning; Zhu, Yirui; Hu, Qian; Li, Zhongkui; Han, Ju; Lian, Zeyu; Zhu, Yanhong","Controllable construction of base pairing and chirality study in supramolecular assemblies based on guanine nucleotides","CrystEngComm","2026","28","7","1286","1298","10.1039/D5CE00978B","","","0.71073","MoKα","","0.1433","0.0725","","","0.1682","0.2031","","","","","","0.977","","","","has coordinates","304901","2026-03-05","12:43:59",""
"7251526","11.4237","0.0018","7.386","0.0011","26.548","0.004","90","","100.864","0.005","90","","2199.9","0.6","296.15","","296.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H52 N12 O23 P2 -","- C32 H52 N12 O23 P2 -","- C64 H104 N24 O46 P4 -","2","1","","Lv, Jialin; Shan, Penghua; Lan, Ruoning; Zhu, Yirui; Hu, Qian; Li, Zhongkui; Han, Ju; Lian, Zeyu; Zhu, Yanhong","Controllable construction of base pairing and chirality study in supramolecular assemblies based on guanine nucleotides","CrystEngComm","2026","28","7","1286","1298","10.1039/D5CE00978B","","","0.71073","MoKα","","0.1062","0.0521","","","0.1029","0.122","","","","","","0.993","","","","has coordinates","304901","2026-03-05","12:43:59",""
"7251527","9.4392","0.0008","10.4331","0.0009","14.5148","0.0013","76.969","0.002","85.423","0.002","66.14","0.002","1273.49","0.19","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H19 Ag N4 O9 -","- C28 H19 Ag N4 O9 -","- C56 H38 Ag2 N8 O18 -","2","1","","Shen, Yi-Lin; Liu, Chia-Li; Tai, Hsun-Chih; Chen, Zhi-Ling; Chen, Jhy-Der","Structure-directing roles of polycarboxylate anions in the formation of Ag(i) coordination polymers with mixed ligands","CrystEngComm","2026","28","11","1801","1811","10.1039/D5CE01151E","","","0.71073","MoKα","","0.1253","0.0592","","","0.1095","0.1325","","","","","","1.01","","","","has coordinates","305346","2026-04-05","11:59:14",""
"7251528","12.779","0.002","7.1294","0.0014","13.218","0.002","90","","93.331","0.004","90","","1202.2","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H9 Ag N2 O5 -","- C12 H9 Ag N2 O5 -","- C48 H36 Ag4 N8 O20 -","4","1","","Shen, Yi-Lin; Liu, Chia-Li; Tai, Hsun-Chih; Chen, Zhi-Ling; Chen, Jhy-Der","Structure-directing roles of polycarboxylate anions in the formation of Ag(i) coordination polymers with mixed ligands","CrystEngComm","2026","28","11","1801","1811","10.1039/D5CE01151E","","","0.71073","MoKα","","0.0441","0.0415","","","0.1077","0.1087","","","","","","1.163","","","","has coordinates","305346","2026-04-05","11:59:14",""
"7251529","9.096","0.002","9.557","0.002","15.651","0.004","76.424","0.008","80.583","0.008","84.483","0.008","1302.3","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H25 Ag N4 O8 -","- C26 H25 Ag N4 O8 -","- C52 H50 Ag2 N8 O16 -","2","1","","Shen, Yi-Lin; Liu, Chia-Li; Tai, Hsun-Chih; Chen, Zhi-Ling; Chen, Jhy-Der","Structure-directing roles of polycarboxylate anions in the formation of Ag(i) coordination polymers with mixed ligands","CrystEngComm","2026","28","11","1801","1811","10.1039/D5CE01151E","","","0.71073","MoKα","","0.0669","0.044","","","0.1037","0.115","","","","","","1.052","","","","has coordinates","305346","2026-04-05","11:59:14",""
"7251530","9.4624","0.0019","11.7312","0.0019","19.16","0.003","95.359","0.006","95.325","0.007","106.993","0.007","2008.9","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H36 Ag2 N8 O12 -","- C37 H36 Ag2 N8 O12 -","- C74 H72 Ag4 N16 O24 -","2","1","","Shen, Yi-Lin; Liu, Chia-Li; Tai, Hsun-Chih; Chen, Zhi-Ling; Chen, Jhy-Der","Structure-directing roles of polycarboxylate anions in the formation of Ag(i) coordination polymers with mixed ligands","CrystEngComm","2026","28","11","1801","1811","10.1039/D5CE01151E","","","0.71073","MoKα","","0.1473","0.0596","","","0.1241","0.1557","","","","","","1.003","","","","has coordinates,has disorder","305346","2026-04-05","11:59:14",""
"7251531","8.5629","0.0016","25.199","0.005","10.864","0.002","90","","93.17","0.006","90","","2340.6","0.8","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H19 Ag N4 O7 -","- C24 H19 Ag N4 O7 -","- C96 H76 Ag4 N16 O28 -","4","1","","Shen, Yi-Lin; Liu, Chia-Li; Tai, Hsun-Chih; Chen, Zhi-Ling; Chen, Jhy-Der","Structure-directing roles of polycarboxylate anions in the formation of Ag(i) coordination polymers with mixed ligands","CrystEngComm","2026","28","11","1801","1811","10.1039/D5CE01151E","","","0.71073","MoKα","","0.0701","0.0367","","","0.0618","0.0699","","","","","","1.02","","","","has coordinates","305346","2026-04-05","11:59:14",""
"7251532","8.6861","0.0019","8.914","0.002","11.391","0.003","84.881","0.007","70.317","0.005","70.793","0.005","784","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H12 Ag N2 O7 -","- C16 H12 Ag N2 O7 -","- C32 H24 Ag2 N4 O14 -","2","1","","Shen, Yi-Lin; Liu, Chia-Li; Tai, Hsun-Chih; Chen, Zhi-Ling; Chen, Jhy-Der","Structure-directing roles of polycarboxylate anions in the formation of Ag(i) coordination polymers with mixed ligands","CrystEngComm","2026","28","11","1801","1811","10.1039/D5CE01151E","","","0.71073","MoKα","","0.0344","0.0305","","","0.0767","0.0792","","","","","","1.071","","","","has coordinates","305346","2026-04-05","11:59:14",""
"7251533","10.8579","0.0015","12.1551","0.0015","13.0789","0.0016","78.82","0.004","85.334","0.005","78.078","0.005","1655.3","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H31 Ag2 N6 O12 -","- C30 H31 Ag2 N6 O12 -","- C60 H62 Ag4 N12 O24 -","2","1","","Shen, Yi-Lin; Liu, Chia-Li; Tai, Hsun-Chih; Chen, Zhi-Ling; Chen, Jhy-Der","Structure-directing roles of polycarboxylate anions in the formation of Ag(i) coordination polymers with mixed ligands","CrystEngComm","2026","28","11","1801","1811","10.1039/D5CE01151E","","","0.71073","MoKα","","0.0974","0.0591","","","0.1201","0.1446","","","","","","1.053","","","","has coordinates","305346","2026-04-05","11:59:14",""
"7251534","9.627","0.006","10.094","0.007","31.171","0.018","85.529","0.016","85.355","0.017","63.937","0.016","2709","3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H45 Ag5 N8 O21 -","- C46 H43 Ag5 N8 O21 -","- C92 H86 Ag10 N16 O42 -","2","1","","Shen, Yi-Lin; Liu, Chia-Li; Tai, Hsun-Chih; Chen, Zhi-Ling; Chen, Jhy-Der","Structure-directing roles of polycarboxylate anions in the formation of Ag(i) coordination polymers with mixed ligands","CrystEngComm","2026","28","11","1801","1811","10.1039/D5CE01151E","","","0.71073","MoKα","","0.0432","0.0364","","","0.0949","0.0984","","","","","","1.072","","","","has coordinates,has disorder","305346","2026-04-05","11:59:14",""
"7251535","11.277","0.002","11.398","0.002","21.089","0.004","90","","91.707","0.005","90","","2709.5","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H29 Ag N4 O12 -","- C24 H29 Ag N4 O12 -","- C96 H116 Ag4 N16 O48 -","4","1","","Shen, Yi-Lin; Liu, Chia-Li; Tai, Hsun-Chih; Chen, Zhi-Ling; Chen, Jhy-Der","Structure-directing roles of polycarboxylate anions in the formation of Ag(i) coordination polymers with mixed ligands","CrystEngComm","2026","28","11","1801","1811","10.1039/D5CE01151E","","","0.71073","MoKα","","0.0353","0.0306","","","0.0819","0.0849","","","","","","1.048","","","","has coordinates","305346","2026-04-05","11:59:14",""
"7251536","8.3139","0.0015","12.128","0.002","19.032","0.003","90","","94.887","0.002","90","","1912","0.6","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N,N^'^-(1,4-phenylenedimethylidyne)bis(2-trifluoromethyl)benzenamine","","- C22 H14 F6 N2 -","- C22 H14 F6 N2 -","- C88 H56 F24 N8 -","4","1","","Gerten, Anthony L.; Larson, Sarah N.; Ojala, William H.","Examining the role of molecular and crystallographic symmetry in isomorphism: a series of centrosymmetric “bridge-flipped” trifluoromethyl-substituted bis-benzylideneanilines","CrystEngComm","2026","28","4","849","861","10.1039/D5CE01058F","","","0.71073","MoKα","","0.0587","0.0398","","","0.09","0.0974","","","","","","1.034","","","","has coordinates","304285","2026-02-12","22:20:23",""
"7251537","14.9937","0.0012","7.5042","0.0006","16.9077","0.0013","90","","100.858","0.001","90","","1868.3","0.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N,N^'^-(1,4-phenylenedimethylidyne)bis(4-trifluoromethyl)benzenamine","","- C22 H14 F6 N2 -","- C22 H14 F6 N2 -","- C88 H56 F24 N8 -","4","1","","Gerten, Anthony L.; Larson, Sarah N.; Ojala, William H.","Examining the role of molecular and crystallographic symmetry in isomorphism: a series of centrosymmetric “bridge-flipped” trifluoromethyl-substituted bis-benzylideneanilines","CrystEngComm","2026","28","4","849","861","10.1039/D5CE01058F","","","0.71073","MoKα","","0.0584","0.0455","","","0.1156","0.1272","","","","","","1.042","","","","has coordinates,has disorder","304285","2026-02-12","22:20:23",""
"7251538","12.786","0.003","4.7478","0.001","14.494","0.003","90","","96.023","0.002","90","","875","0.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N,N^'^-(1,4-phenylenedimethylidyne)bis(3-trifluoromethyl)benzenamine","","- C22 H14 F6 N2 -","- C22 H14 F6 N2 -","- C44 H28 F12 N4 -","2","0.5","","Gerten, Anthony L.; Larson, Sarah N.; Ojala, William H.","Examining the role of molecular and crystallographic symmetry in isomorphism: a series of centrosymmetric “bridge-flipped” trifluoromethyl-substituted bis-benzylideneanilines","CrystEngComm","2026","28","4","849","861","10.1039/D5CE01058F","","","0.71073","MoKα","","0.0425","0.0356","","","0.09","0.0954","","","","","","1.063","","","","has coordinates","304285","2026-02-12","22:20:23",""
"7251539","12.5991","0.0011","4.8277","0.0004","14.9975","0.0013","90","","98.831","0.003","90","","901.4","0.13","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N^1^,N^4^-bis[[3-(trifluoromethyl)phenyl]methylene]-1,4-benzenediamine","","- C22 H14 F6 N2 -","- C22 H14 F6 N2 -","- C44 H28 F12 N4 -","2","0.5","","Gerten, Anthony L.; Larson, Sarah N.; Ojala, William H.","Examining the role of molecular and crystallographic symmetry in isomorphism: a series of centrosymmetric “bridge-flipped” trifluoromethyl-substituted bis-benzylideneanilines","CrystEngComm","2026","28","4","849","861","10.1039/D5CE01058F","","","0.71073","MoKα","","0.0507","0.0394","","","0.0976","0.1051","","","","","","1.046","","","","has coordinates","304285","2026-02-12","22:20:23",""
"7251540","4.9998","0.001","12.277","0.002","14.928","0.003","90","","92.252","0.003","90","","915.6","0.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N^1^,N^4^-bis[[2-(trifluoromethyl)phenyl]methylene]-1,4-benzenediamine","","- C22 H14 F6 N2 -","- C22 H14 F6 N2 -","- C44 H28 F12 N4 -","2","0.5","","Gerten, Anthony L.; Larson, Sarah N.; Ojala, William H.","Examining the role of molecular and crystallographic symmetry in isomorphism: a series of centrosymmetric “bridge-flipped” trifluoromethyl-substituted bis-benzylideneanilines","CrystEngComm","2026","28","4","849","861","10.1039/D5CE01058F","","","0.71073","MoKα","","0.0543","0.0369","","","0.0939","0.1012","","","","","","1.095","","","","has coordinates","304285","2026-02-12","22:20:23",""
"7251541","9.0084","0.0003","9.1333","0.0003","10.0681","0.0003","101.022","0.0011","113.051","0.001","100.435","0.001","717.49","0.04","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","9,9'-peroxybis(9-(4-chlorophenyl)-9H-xanthene)","","- C38 H24 Cl2 O4 -","- C38 H24 Cl2 O4 -","- C38 H24 Cl2 O4 -","1","0.5","","Barton, Benita; Vorgers, Jarryd A.; Hosten, Eric C.","Extremely efficient host selectivity behaviour of stable di-(9-(p-chlorophenyl)xanthen-9-yl) peroxide towards ortho-xylene when crystallized from mixtures of the C8H10 aromatic fraction of crude oil","CrystEngComm","2026","28","10","1658","1668","10.1039/D6CE00042H","","","0.71073","MoKα","","0.0527","0.0418","","","0.0962","0.1087","","","","","","1.05","","","","has coordinates","305338","2026-04-05","11:55:03",""
"7251542","9.4967","0.0003","9.964","0.0004","11.4322","0.0004","64.5859","0.0012","75.1697","0.0012","65.7342","0.0011","886.59","0.06","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","1(9,9'-peroxybis(9-(4-chlorophenyl)-9H-xanthene)):1(O xylene)","","- C46 H34 Cl2 O4 -","- C46 H34 Cl2 O4 -","- C46 H34 Cl2 O4 -","1","0.5","","Barton, Benita; Vorgers, Jarryd A.; Hosten, Eric C.","Extremely efficient host selectivity behaviour of stable di-(9-(p-chlorophenyl)xanthen-9-yl) peroxide towards ortho-xylene when crystallized from mixtures of the C8H10 aromatic fraction of crude oil","CrystEngComm","2026","28","10","1658","1668","10.1039/D6CE00042H","","","0.71073","MoKα","","0.0498","0.038","","","0.0867","0.0984","","","","","","1.067","","","","has coordinates,has disorder","305338","2026-04-05","11:55:03",""
"7251543","10.3526","0.0004","10.677","0.0004","10.885","0.0004","111.158","0.001","95.138","0.001","102.671","0.001","1075.75","0.07","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","(9,9'-peroxybis(9-(4-chlorophenyl)-9H-xanthene)):2(p xylene)","","- C54 H44 Cl2 O4 -","- C54 H44 Cl2 O4 -","- C54 H44 Cl2 O4 -","1","0.5","","Barton, Benita; Vorgers, Jarryd A.; Hosten, Eric C.","Extremely efficient host selectivity behaviour of stable di-(9-(p-chlorophenyl)xanthen-9-yl) peroxide towards ortho-xylene when crystallized from mixtures of the C8H10 aromatic fraction of crude oil","CrystEngComm","2026","28","10","1658","1668","10.1039/D6CE00042H","","","0.71073","MoKα","","0.0607","0.0433","","","0.0964","0.1112","","","","","","1.053","","","","has coordinates","305338","2026-04-05","11:55:03",""
"7251544","10.9858","0.0006","11.9858","0.0006","13.2917","0.0007","84.1988","0.0019","82.2922","0.0019","62.8753","0.0017","1542.02","0.14","135.8","","135.8","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H32 Cl2 N2 O6 -","- C34 H32 Cl2 N2 O6 -","- C68 H64 Cl4 N4 O12 -","2","1","","Amarne, Hazem; Stirk, Alexander J.; O'Keefe, Christopher A.; Schurko, Robert W.; Loeb, Stephen J.","A dynamic pcu MOF(Zn) containing a ditopic T-shaped [2]rotaxane linker","CrystEngComm","2026","28","3","631","634","10.1039/D5CE01108F","","","0.71073","MoKα","","0.0657","0.0472","","","0.1053","0.1173","","","","","","1.0495","","","","has coordinates","304287","2026-02-12","22:21:44",""
"7251545","25.8311","0.0005","25.8311","0.0005","44.9688","0.0014","90","","90","","120","","25985.3","1.1","170","","170","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C282 H342 N12 O75 Zn6 -","- C282 H342.02 N12 O75 Zn6 -","- C846 H1026.06 N36 O225 Zn18 -","3","0.166667","","Amarne, Hazem; Stirk, Alexander J.; O'Keefe, Christopher A.; Schurko, Robert W.; Loeb, Stephen J.","A dynamic pcu MOF(Zn) containing a ditopic T-shaped [2]rotaxane linker","CrystEngComm","2026","28","3","631","634","10.1039/D5CE01108F","","","1.54178","CuKα","","0.1257","0.1224","","","0.3411","0.3494","","","","","","1.774","","","","has coordinates","304287","2026-02-12","22:21:45",""
"7251546","12.1185","0.0003","12.6366","0.0003","16.8865","0.0003","97.8567","0.0014","101.651","0.0014","106.452","0.0014","2376.66","0.1","170","","170","","","","","","","","","4","P -1","-P 1","2","","","","- C51 H66 N2 O12 -","- C51 H66 N2 O12 -","- C102 H132 N4 O24 -","2","1","","Amarne, Hazem; Stirk, Alexander J.; O'Keefe, Christopher A.; Schurko, Robert W.; Loeb, Stephen J.","A dynamic pcu MOF(Zn) containing a ditopic T-shaped [2]rotaxane linker","CrystEngComm","2026","28","3","631","634","10.1039/D5CE01108F","","","1.54178","CuKα","","0.1015","0.0587","","","0.1142","0.1333","","","","","","1.0556","","","","has coordinates","304287","2026-02-12","22:21:45",""
"7251547","18.7063","0.0009","6.3312","0.0003","20.0829","0.0009","90","","106.413","0.002","90","","2281.56","0.19","100","2","100","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C20 H42 Cl2 N2 O6 -","- C20 H42 Cl2 N2 O6 -","- C80 H168 Cl8 N8 O24 -","4","1","","Churakov, Andrei V.; Mel'nik, Elena A.; Egorov, Pavel A.; Mikhaylov, Alexey A.; Tripol'skaya, Tatiana A.; Lev, Ovadia; Prikhodchenko, Petr V.","Anion-directed architectures in amine halide peroxosolvates: role of H2O2/H2O competition in crystal engineering","CrystEngComm","2026","28","7","1225","1237","10.1039/D5CE01038A","","","0.71073","MoKα","","0.0578","0.0427","","","0.0917","0.1014","","","","","","1.022","","","","has coordinates","304900","2026-03-05","12:43:30",""
"7251548","11.1837","0.0004","5.9656","0.0002","11.0793","0.0004","90","","98.964","0.001","90","","730.15","0.04","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C2 H12 Cl2 N2 O1.87 -","- C2 H12 Cl2 N2 O1.871 -","- C8 H48 Cl8 N8 O7.484 -","4","0.5","","Churakov, Andrei V.; Mel'nik, Elena A.; Egorov, Pavel A.; Mikhaylov, Alexey A.; Tripol'skaya, Tatiana A.; Lev, Ovadia; Prikhodchenko, Petr V.","Anion-directed architectures in amine halide peroxosolvates: role of H2O2/H2O competition in crystal engineering","CrystEngComm","2026","28","7","1225","1237","10.1039/D5CE01038A","","","0.71073","MoKα","","0.0253","0.0221","","","0.0581","0.0598","","","","","","1.175","","","","has coordinates,has disorder","304900","2026-03-05","12:43:31",""
"7251549","9.7834","0.0006","9.3257","0.0006","10.6627","0.0007","90","","98.935","0.002","90","","961.03","0.11","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H16 Cl2 N2 O2 -","- C6 H16 Cl2 N2 O2 -","- C24 H64 Cl8 N8 O8 -","4","0.5","","Churakov, Andrei V.; Mel'nik, Elena A.; Egorov, Pavel A.; Mikhaylov, Alexey A.; Tripol'skaya, Tatiana A.; Lev, Ovadia; Prikhodchenko, Petr V.","Anion-directed architectures in amine halide peroxosolvates: role of H2O2/H2O competition in crystal engineering","CrystEngComm","2026","28","7","1225","1237","10.1039/D5CE01038A","","","0.71073","MoKα","","0.0352","0.0297","","","0.0683","0.0718","","","","","","1.044","","","","has coordinates","304900","2026-03-05","12:43:31",""
"7251550","10.7011","0.0009","6.1485","0.0007","13.6061","0.0015","90","","111.074","0.003","90","","835.35","0.15","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C4 H14 Cl2 N2 O2 -","- C4 H14 Cl2 N2 O2 -","- C16 H56 Cl8 N8 O8 -","4","0.5","","Churakov, Andrei V.; Mel'nik, Elena A.; Egorov, Pavel A.; Mikhaylov, Alexey A.; Tripol'skaya, Tatiana A.; Lev, Ovadia; Prikhodchenko, Petr V.","Anion-directed architectures in amine halide peroxosolvates: role of H2O2/H2O competition in crystal engineering","CrystEngComm","2026","28","7","1225","1237","10.1039/D5CE01038A","","","0.71073","MoKα","","0.0374","0.0297","","","0.0586","0.0634","","","","","","1.039","","","","has coordinates","304900","2026-03-05","12:43:31",""
"7251551","6.7122","0.0005","11.2178","0.0009","14.5863","0.0012","78.253","0.002","78.616","0.002","87.474","0.003","1054.13","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H38 Cl2 N2 O2 -","- C20 H38 Cl2 N2 O2 -","- C40 H76 Cl4 N4 O4 -","2","1","","Churakov, Andrei V.; Mel'nik, Elena A.; Egorov, Pavel A.; Mikhaylov, Alexey A.; Tripol'skaya, Tatiana A.; Lev, Ovadia; Prikhodchenko, Petr V.","Anion-directed architectures in amine halide peroxosolvates: role of H2O2/H2O competition in crystal engineering","CrystEngComm","2026","28","7","1225","1237","10.1039/D5CE01038A","","","0.71073","MoKα","","0.0456","0.0396","","","0.1039","0.1078","","","","","","1.06","","","","has coordinates","304900","2026-03-05","12:43:31",""
"7251552","7.3636","0.0004","11.0879","0.0006","6.0534","0.0003","90","","99.808","0.002","90","","487.02","0.04","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H16 Cl2 N2 O4 -","- C4 H16 Cl2 N2 O4 -","- C8 H32 Cl4 N4 O8 -","2","0.5","","Churakov, Andrei V.; Mel'nik, Elena A.; Egorov, Pavel A.; Mikhaylov, Alexey A.; Tripol'skaya, Tatiana A.; Lev, Ovadia; Prikhodchenko, Petr V.","Anion-directed architectures in amine halide peroxosolvates: role of H2O2/H2O competition in crystal engineering","CrystEngComm","2026","28","7","1225","1237","10.1039/D5CE01038A","","","0.71073","MoKα","","0.0226","0.0197","","","0.0491","0.0502","","","","","","1.059","","","","has coordinates","304900","2026-03-05","12:43:31",""
"7251553","11.231","0.002","5.985","0.0013","11.134","0.002","90","","98.835","0.003","90","","739.5","0.2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C2 H12 Cl2 N2 O2 -","- C2 H12 Cl2 N2 O2 -","- C8 H48 Cl8 N8 O8 -","4","0.5","","Churakov, Andrei V.; Mel'nik, Elena A.; Egorov, Pavel A.; Mikhaylov, Alexey A.; Tripol'skaya, Tatiana A.; Lev, Ovadia; Prikhodchenko, Petr V.","Anion-directed architectures in amine halide peroxosolvates: role of H2O2/H2O competition in crystal engineering","CrystEngComm","2026","28","7","1225","1237","10.1039/D5CE01038A","","","0.71073","MoKα","","0.0251","0.0234","","","0.0659","0.0669","","","","","","1.123","","","","has coordinates","304900","2026-03-05","12:43:31",""
"7251554","10.479","0.001","6.1798","0.0006","13.515","0.0016","90","","109.635","0.003","90","","824.31","0.15","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C4 H14 Cl2 N2 O1.38 -","- C4 H14 Cl2 N2 O1.383 -","- C16 H56 Cl8 N8 O5.532 -","4","0.5","","Churakov, Andrei V.; Mel'nik, Elena A.; Egorov, Pavel A.; Mikhaylov, Alexey A.; Tripol'skaya, Tatiana A.; Lev, Ovadia; Prikhodchenko, Petr V.","Anion-directed architectures in amine halide peroxosolvates: role of H2O2/H2O competition in crystal engineering","CrystEngComm","2026","28","7","1225","1237","10.1039/D5CE01038A","","","0.71073","MoKα","","0.0309","0.0251","","","0.0542","0.0567","","","","","","1.14","","","","has coordinates,has disorder","304900","2026-03-05","12:43:31",""
"7251555","10.6313","0.0007","6.1567","0.0004","13.5716","0.0012","90","","110.665","0.002","90","","831.16","0.11","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C4 H14 Cl2 N2 O1.73 -","- C4 H14 Cl2 N2 O1.731 -","- C16 H56 Cl8 N8 O6.924 -","4","0.5","","Churakov, Andrei V.; Mel'nik, Elena A.; Egorov, Pavel A.; Mikhaylov, Alexey A.; Tripol'skaya, Tatiana A.; Lev, Ovadia; Prikhodchenko, Petr V.","Anion-directed architectures in amine halide peroxosolvates: role of H2O2/H2O competition in crystal engineering","CrystEngComm","2026","28","7","1225","1237","10.1039/D5CE01038A","","","0.71073","MoKα","","0.0256","0.0224","","","0.0514","0.0528","","","","","","1.117","","","","has coordinates,has disorder","304900","2026-03-05","12:43:31",""
"7251556","11.1916","0.0009","6.2618","0.0005","13.9442","0.0012","90","","111.211","0.003","90","","911","0.13","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C4 H14 Br2 N2 O2 -","- C4 H14 Br2 N2 O2 -","- C16 H56 Br8 N8 O8 -","4","0.5","","Churakov, Andrei V.; Mel'nik, Elena A.; Egorov, Pavel A.; Mikhaylov, Alexey A.; Tripol'skaya, Tatiana A.; Lev, Ovadia; Prikhodchenko, Petr V.","Anion-directed architectures in amine halide peroxosolvates: role of H2O2/H2O competition in crystal engineering","CrystEngComm","2026","28","7","1225","1237","10.1039/D5CE01038A","","","0.71073","MoKα","","0.0281","0.0231","","","0.0547","0.057","","","","","","1.165","","","","has coordinates","304900","2026-03-05","12:43:31",""
"7251557","9.7389","0.0008","9.5339","0.0008","10.3448","0.0009","90","","99.768","0.003","90","","946.59","0.14","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H16 Cl2 N2 O1.29 -","- C6 H16 Cl2 N2 O1.288 -","- C24 H64 Cl8 N8 O5.152 -","4","0.5","","Churakov, Andrei V.; Mel'nik, Elena A.; Egorov, Pavel A.; Mikhaylov, Alexey A.; Tripol'skaya, Tatiana A.; Lev, Ovadia; Prikhodchenko, Petr V.","Anion-directed architectures in amine halide peroxosolvates: role of H2O2/H2O competition in crystal engineering","CrystEngComm","2026","28","7","1225","1237","10.1039/D5CE01038A","","","0.71073","MoKα","","0.0305","0.0265","","","0.0638","0.0666","","","","","","1.051","","","","has coordinates,has disorder","304900","2026-03-05","12:43:31",""
"7251558","9.4477","0.0014","9.5257","0.0014","34.801","0.004","90","","90.218","0.004","90","","3131.9","0.7","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C38 H42 O5 -","- C38 H42 O5 -","- C152 H168 O20 -","4","2","","Bawa, Hana; Su, Hong; De Doncker, Stephen; Bourne, Susan A.; Nassimbeni, Luigi R.","TADDOLs and methylcyclohexanones: selectivity, resolution and the kinetics of decomposition","CrystEngComm","2026","28","10","1690","1698","10.1039/D5CE01022E","","","0.71073","MoKα","","0.1199","0.1151","","","0.3212","0.3244","","","","","","1.058","","","","has coordinates,has disorder","305339","2026-04-05","11:55:15",""
"7251559","9.2556","0.001","9.3831","0.0011","35.837","0.005","90","","90","","90","","3112.3","0.7","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C38 H42 O5 -","- C38 H42 O5 -","- C152 H168 O20 -","4","1","","Bawa, Hana; Su, Hong; De Doncker, Stephen; Bourne, Susan A.; Nassimbeni, Luigi R.","TADDOLs and methylcyclohexanones: selectivity, resolution and the kinetics of decomposition","CrystEngComm","2026","28","10","1690","1698","10.1039/D5CE01022E","","","0.71073","MoKα","","0.0714","0.0654","","","0.1703","0.1753","","","","","","1.049","","","","has coordinates","305339","2026-04-05","11:55:15",""
"7251560","9.2541","0.0007","16.6075","0.0012","21.4755","0.0016","90","","90","","90","","3300.5","0.4","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C40 H44 O5 -","- C40 H44 O5 -","- C160 H176 O20 -","4","1","","Bawa, Hana; Su, Hong; De Doncker, Stephen; Bourne, Susan A.; Nassimbeni, Luigi R.","TADDOLs and methylcyclohexanones: selectivity, resolution and the kinetics of decomposition","CrystEngComm","2026","28","10","1690","1698","10.1039/D5CE01022E","","","0.71073","MoKα","","0.044","0.0386","","","0.0901","0.0933","","","","","","1.028","","","","has coordinates,has disorder","305339","2026-04-05","11:55:15",""
"7251561","9.324","0.002","12.457","0.002","26.951","0.007","90","","90","","90","","3130.3","1.2","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C38 H42 O5 -","- C38 H42 O5 -","- C152 H168 O20 -","4","1","","Bawa, Hana; Su, Hong; De Doncker, Stephen; Bourne, Susan A.; Nassimbeni, Luigi R.","TADDOLs and methylcyclohexanones: selectivity, resolution and the kinetics of decomposition","CrystEngComm","2026","28","10","1690","1698","10.1039/D5CE01022E","","","0.71073","MoKα","","0.0486","0.0391","","","0.0889","0.094","","","","","","1.042","","","","has coordinates","305339","2026-04-05","11:55:15",""
"7251562","9.6545","0.0007","11.2256","0.0007","29.717","0.002","90","","90","","90","","3220.7","0.4","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C40 H44 O5 -","- C40 H44 O5 -","- C160 H176 O20 -","4","1","","Bawa, Hana; Su, Hong; De Doncker, Stephen; Bourne, Susan A.; Nassimbeni, Luigi R.","TADDOLs and methylcyclohexanones: selectivity, resolution and the kinetics of decomposition","CrystEngComm","2026","28","10","1690","1698","10.1039/D5CE01022E","","","0.71073","MoKα","","0.0436","0.0393","","","0.0979","0.1013","","","","","","1.036","","","","has coordinates","305339","2026-04-05","11:55:15",""
"7251563","9.3341","0.0012","9.9506","0.0013","18.611","0.003","100.611","0.004","98.637","0.004","91.317","0.004","1677.5","0.4","100","2","100","2","","","","","","","","3","P 1","P 1","1","","","","- C41 H46 O5 -","- C41 H46 O5 -","- C82 H92 O10 -","2","2","","Bawa, Hana; Su, Hong; De Doncker, Stephen; Bourne, Susan A.; Nassimbeni, Luigi R.","TADDOLs and methylcyclohexanones: selectivity, resolution and the kinetics of decomposition","CrystEngComm","2026","28","10","1690","1698","10.1039/D5CE01022E","","","0.71073","MoKα","","0.108","0.0898","","","0.2041","0.2155","","","","","","1.052","","","","has coordinates,has disorder","305339","2026-04-05","11:55:15",""
"7251564","9.1811","0.0019","15.953","0.004","22.039","0.006","90","","90","","90","","3228","1.4","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C40 H44 O5 -","- C40 H44 O5 -","- C160 H176 O20 -","4","1","","Bawa, Hana; Su, Hong; De Doncker, Stephen; Bourne, Susan A.; Nassimbeni, Luigi R.","TADDOLs and methylcyclohexanones: selectivity, resolution and the kinetics of decomposition","CrystEngComm","2026","28","10","1690","1698","10.1039/D5CE01022E","","","0.71073","MoKα","","0.0468","0.038","","","0.084","0.0895","","","","","","1.029","","","","has coordinates","305339","2026-04-05","11:55:15",""
"7251565","9.324","0.002","15.978","0.004","22.244","0.006","90","","90","","90","","3313.9","1.4","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C41 H46 O5 -","- C41 H46 O5 -","- C164 H184 O20 -","4","1","","Bawa, Hana; Su, Hong; De Doncker, Stephen; Bourne, Susan A.; Nassimbeni, Luigi R.","TADDOLs and methylcyclohexanones: selectivity, resolution and the kinetics of decomposition","CrystEngComm","2026","28","10","1690","1698","10.1039/D5CE01022E","","","0.71073","MoKα","","0.0345","0.0321","","","0.0793","0.0808","","","","","","1.032","","","","has coordinates","305339","2026-04-05","11:55:15",""
"7251566","9.583","0.0019","10.432","0.002","11.513","0.002","111.09","0.03","106.87","0.03","94.31","0.03","1006.6","0.5","220","2","220","2","","","","","","","","4","P -1","-P 1","2","DMT-MN","2-(4-(diphenylamino)-2,6-dimethoxybenzylidene) malononitrile","","- C24 H19 N3 O2 -","- C24 H19 N3 O2 -","- C48 H38 N6 O4 -","2","1","","Priyadharsan, R. Rameshbabu; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Dimethoxy-substituted triphenylamine-based donor–acceptor fluorophores: tunable solid-state emission and reversible thermofluorochromism","CrystEngComm","2026","28","6","1083","1090","10.1039/D5CE01002K","","","0.63","synchrotron","","0.0577","0.0458","","","0.1222","0.1308","","","","","","1.039","","","","has coordinates","304290","2026-02-12","22:24:11",""
"7251567","9.192","0.0018","10.19","0.002","23.366","0.005","92.24","0.03","95.24","0.03","110.23","0.03","2039.2","0.8","220","2","220","2","","","","","","","","4","P -1","-P 1","2","DMT-CA","(Z)-2-cyano-3-(4-(diphenylamino)-2,6-dimethoxyphenyl) acrylamide","","- C24 H21 N3 O3 -","- C24 H21 N3 O3 -","- C96 H84 N12 O12 -","4","2","","Priyadharsan, R. Rameshbabu; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Dimethoxy-substituted triphenylamine-based donor–acceptor fluorophores: tunable solid-state emission and reversible thermofluorochromism","CrystEngComm","2026","28","6","1083","1090","10.1039/D5CE01002K","","","0.63","synchrotron","","0.077","0.0525","","","0.1351","0.1498","","","","","","1.034","","","","has coordinates","304290","2026-02-12","22:24:11",""
"7251568","8.331","0.0017","15.739","0.003","16.743","0.003","90","","100.3","0.03","90","","2160","0.7","220","2","220","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","DMT-CAA","(Z)-2-cyano-3-(4-(diphenylamino)-2,6-dimethoxyphenyl) acrylic acid","","- C25 H24 N2 O5 -","- C25 H24 N2 O5 -","- C100 H96 N8 O20 -","4","1","","Priyadharsan, R. Rameshbabu; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Dimethoxy-substituted triphenylamine-based donor–acceptor fluorophores: tunable solid-state emission and reversible thermofluorochromism","CrystEngComm","2026","28","6","1083","1090","10.1039/D5CE01002K","","","0.63","synchrotron","","0.1645","0.0715","","","0.168","0.2163","","","","","","0.98","","","","has coordinates","304290","2026-02-12","22:24:12",""
"7251569","8.599","0.0017","15.82","0.003","16.419","0.003","90","","98.3","0.03","90","","2210.2","0.7","220","2","220","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","DMT-ECA","ethyl (Z)-2-cyano-3-(4-(diphenylamino)-2,6-dimethoxyphenyl) acrylate","","- C26 H24 N2 O4 -","- C26 H24 N2 O4 -","- C104 H96 N8 O16 -","4","1","","Priyadharsan, R. Rameshbabu; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Dimethoxy-substituted triphenylamine-based donor–acceptor fluorophores: tunable solid-state emission and reversible thermofluorochromism","CrystEngComm","2026","28","6","1083","1090","10.1039/D5CE01002K","","","0.63","synchrotron","","0.0877","0.0552","","","0.1393","0.1571","","","","","","1.043","","","","has coordinates","304290","2026-02-12","22:24:12",""
"7251570","11.187","0.002","14.173","0.003","14.888","0.003","81.72","0.03","82.4","0.03","89.71","0.03","2315.2","0.8","220","2","220","2","","","","","","","","4","P -1","-P 1","2","DMT-BA","5-(4-(diphenylamino)-2,6-dimethoxybenzylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione","","- C27 H25 N3 O5 -","- C27 H25 N3 O5 -","- C108 H100 N12 O20 -","4","2","","Priyadharsan, R. Rameshbabu; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Dimethoxy-substituted triphenylamine-based donor–acceptor fluorophores: tunable solid-state emission and reversible thermofluorochromism","CrystEngComm","2026","28","6","1083","1090","10.1039/D5CE01002K","","","0.63","synchrotron","","0.1647","0.0837","","","0.2202","0.2743","","","","","","0.979","","","","has coordinates","304290","2026-02-12","22:24:12",""
"7251571","16.077","0.003","8.455","0.0017","18.89","0.004","90","","112.88","0.03","90","","2365.7","1","220","2","220","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","DMT-ID","2-(4-(diphenylamino)-2,6-dimethoxybenzylidene)-1H-indene-1,3(2H)-dione","","- C30 H23 N O4 -","- C30 H23 N O4 -","- C120 H92 N4 O16 -","4","1","","Priyadharsan, R. Rameshbabu; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Dimethoxy-substituted triphenylamine-based donor–acceptor fluorophores: tunable solid-state emission and reversible thermofluorochromism","CrystEngComm","2026","28","6","1083","1090","10.1039/D5CE01002K","","","0.63","synchrotron","","0.0684","0.0505","","","0.1307","0.1411","","","","","","1.07","","","","has coordinates","304290","2026-02-12","22:24:12",""
"7251572","7.4671","0.0002","9.5062","0.0003","12.2972","0.0004","72.879","0.003","82.237","0.002","73.215","0.002","797.48","0.04","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H10 N2 O8 Sr2 -","- C16 H10 N2 O8 Sr2 -","- C32 H20 N4 O16 Sr4 -","2","1","","Singh, Atom Rajiv; Rajpurohit, Anil Singh; Sharma, Aribam Rishikanta; Jaccob, Madhavan; Laishram, Raju; Lonibala, Rajkumari","Unprecedented 3D-coordination polymeric frameworks of 5-aminoisophthalate with alkaline earth metals (Sr and Ba): catalytic and luminescent properties","CrystEngComm","2026","28","8","1431","1443","10.1039/D5CE01093D","","","0.71073","MoKα","","0.0609","0.0448","","","0.1267","0.1377","","","","","","1.047","","","","has coordinates","304894","2026-03-05","12:36:45",""
"7251573","7.521","0.0002","9.8113","0.0002","12.5148","0.0003","76.429","0.001","87.09","0.001","73.427","0.001","860.27","0.04","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H21 Ba4 Cl N4 O16 -","- C32 H21 Ba4 Cl N4 O16 -","- C32 H21 Ba4 Cl N4 O16 -","1","0.5","","Singh, Atom Rajiv; Rajpurohit, Anil Singh; Sharma, Aribam Rishikanta; Jaccob, Madhavan; Laishram, Raju; Lonibala, Rajkumari","Unprecedented 3D-coordination polymeric frameworks of 5-aminoisophthalate with alkaline earth metals (Sr and Ba): catalytic and luminescent properties","CrystEngComm","2026","28","8","1431","1443","10.1039/D5CE01093D","","","0.71073","MoKα","","0.0298","0.0203","","","0.0418","0.0456","","","","","","1.045","","","","has coordinates","304894","2026-03-05","12:36:49",""
"7251574","13.368","0.0004","11.6173","0.0003","7.3026","0.0002","90","","93.526","0.001","90","","1131.95","0.05","305","","305","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H4 Bi F4 O7 -","- C8 H4 Bi F4 O7 -","- C32 H16 Bi4 F16 O28 -","4","1","","Huang, Tao; Peng, Rufang; Jin, Bo","Three novel green bismuth-based combustion catalysts for catalyzing the high-energy oxidizer RDX","CrystEngComm","2026","28","5","962","971","10.1039/D5CE01035G","","","0.71073","MoKα","","0.0332","0.0287","","","0.0763","0.0789","","","","","","1.089","","","","has coordinates","304292","2026-02-12","22:24:59",""
"7251575","11.3625","0.0015","17.769","0.003","10.2592","0.0013","90","","94.019","0.005","90","","2066.2","0.5","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H21 Bi N3 O11 -","- C15 H21 Bi N3 O11 -","- C60 H84 Bi4 N12 O44 -","4","1","","Huang, Tao; Peng, Rufang; Jin, Bo","Three novel green bismuth-based combustion catalysts for catalyzing the high-energy oxidizer RDX","CrystEngComm","2026","28","5","962","971","10.1039/D5CE01035G","","x-ray","0.71073","MoKα","","0.0844","0.0485","","","0.0938","0.1074","","","","","","1.061","","","","has coordinates,has disorder","304292","2026-02-12","22:24:59",""
"7251576","12.9683","0.0004","16.8294","0.0004","16.713","0.0006","90","","91.479","0.001","90","","3646.38","0.19","301","","301","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H28 Bi N3 O7 S2 -","- C33 H28 Bi N3 O7 S2 -","- C132 H112 Bi4 N12 O28 S8 -","4","1","","Huang, Tao; Peng, Rufang; Jin, Bo","Three novel green bismuth-based combustion catalysts for catalyzing the high-energy oxidizer RDX","CrystEngComm","2026","28","5","962","971","10.1039/D5CE01035G","","","0.71073","MoKα","","0.0679","0.0409","","","0.0804","0.0905","","","","","","1.018","","","","has coordinates,has disorder","304292","2026-02-12","22:24:59",""
"7251577","19.612","0.016","10.811","0.007","13.532","0.011","90","","123.86","0.03","90","","2383","3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H20 Fe2 N6 O13 -","- C20 H20 Fe2 N6 O13 -","- C80 H80 Fe8 N24 O52 -","4","0.5","","Yue, Tian-Cai; Wang, Xin-Fang; Huang, Jian-Bo; Wang, Lu-Lu; Wang, Duo-Zhi","Fe(ii)–organic frameworks as heterogeneous catalysts for achieving diverse CO2 conversions","Green Chemistry","2026","28","6","2904","2913","10.1039/D5GC05156H","","","0.71073","MoKα","","0.0532","0.0387","","","0.1074","0.1284","","","","","","1.227","","","","has coordinates,has disorder","304339","2026-02-13","00:07:53",""
"7251578","10.758","0.002","16.767","0.004","7.3771","0.0017","90","","95.384","0.014","90","","1324.8","0.5","273","2","273.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 Fe N2 O6 -","- C11 H10 Fe N2 O6 -","- C44 H40 Fe4 N8 O24 -","4","1","","Yue, Tian-Cai; Wang, Xin-Fang; Huang, Jian-Bo; Wang, Lu-Lu; Wang, Duo-Zhi","Fe(ii)–organic frameworks as heterogeneous catalysts for achieving diverse CO2 conversions","Green Chemistry","2026","28","6","2904","2913","10.1039/D5GC05156H","","","1.54178","CuKα","","0.1593","0.1218","","","0.2566","0.2793","","","","","","0.954","","","","has coordinates","304339","2026-02-13","00:07:53",""
"7251579","6.9335","0.0004","15.0785","0.0007","8.7254","0.0005","90","","101.786","0.004","90","","892.98","0.08","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H17 N3 O2 -","- C20 H17 N3 O2 -","- C40 H34 N6 O4 -","2","1","","Fu, Xue-Ju; Qi, Ting; Zhang, Xin; Xu, Ke; Huang, Wei; Peng, Cheng; Li, Jun-Long; Han, Bo; Zhan, Gu","Water-promoted deconstructive amination of alkenes through single-carbon deletion: access to fully substituted pyrroles","Green Chemistry","2026","28","13","5633","5641","10.1039/D5GC06491K","","","1.54178","CuKα","","0.0749","0.0532","","","0.1289","0.1525","","","","","","1.009","","","","has coordinates","305403","2026-04-05","12:18:58",""
"7251580","9.4205","0.001","10.4548","0.001","10.7477","0.0011","91.627","0.004","104.973","0.004","116.069","0.003","906.19","0.16","273.15","","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H32 Cu2 N8 O12 -","- C28 H32 Cu2 N8 O12 -","- C28 H32 Cu2 N8 O12 -","1","0.5","","Sun, Guodong; Ma, Yingfei; Cao, Yanan; Zhao, Kaiyang; Ao, Kewen; Wang, Xinqi; Hao, Mingtian; Sun, Mengchen; Zhang, Wei","Hydrogen bond interactions on a dual-core copper catalyst promote the activation of low-concentration CO2 and the generation of ethylene","Green Chemistry","2026","28","9","4188","4195","10.1039/D5GC06841J","","x-ray","0.71073","MoKα","","0.0413","0.0378","","","0.1079","0.1103","","","","","","1.055","","","","has coordinates","304935","2026-03-05","13:00:27",""
"7251581","9.2502","0.0015","10.5346","0.0018","11.2002","0.0016","114.542","0.005","112.289","0.005","95.434","0.006","876.4","0.3","273.15","","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H20 Cu N2 O8 -","- C16 H20 Cu N2 O8 -","- C32 H40 Cu2 N4 O16 -","2","1","","Sun, Guodong; Ma, Yingfei; Cao, Yanan; Zhao, Kaiyang; Ao, Kewen; Wang, Xinqi; Hao, Mingtian; Sun, Mengchen; Zhang, Wei","Hydrogen bond interactions on a dual-core copper catalyst promote the activation of low-concentration CO2 and the generation of ethylene","Green Chemistry","2026","28","9","4188","4195","10.1039/D5GC06841J","","","0.71073","MoKα","","0.0811","0.0757","","","0.1982","0.2034","","","","","","1.097","","","","has coordinates","304935","2026-03-05","13:00:32",""
"7251582","6.5279","0.0014","11.063","0.002","22.438","0.005","90","","96.638","0.009","90","","1609.6","0.6","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 F3 O2 -","- C18 H17 F3 O2 -","- C72 H68 F12 O8 -","4","1","","Deng, Zhi-Xin; Liu, Zhi-Gang; Han, Ji-Yao; Zhou, Tong-Yao; Cheng, Dang; Xiao, Xiao; Chen, Fen-Er","Mn-catalyzed hydroxyalkylation of α-trifluoromethylstyrenes with cyclopropanols: facile synthesis of δ-trifluoromethyl-δ-hydroxyketones","Green Chemistry","2026","28","12","5447","5456","10.1039/D5GC06095H","","","1.34139","GaKα","","0.1442","0.1004","","","0.2451","0.3013","","","","","","0.869","","","","has coordinates","305409","2026-04-05","12:19:43",""
"7251583","10.2763","0.0011","12.4918","0.0013","13.2249","0.0013","90","","109.758","0.004","90","","1597.7","0.3","243","","243","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H19 N O5 -","- C17 H19 N O5 -","- C68 H76 N4 O20 -","4","1","","Zhang, Wen-Yu; Liu, Xin-Yao; Li, Yang; Li, Jin-Heng","Electrochemical strain-release cascade cyclization of N-aryl bicyclobutyl amides with 1,3-dicarbonyl compounds via direct C(sp3)–H/C(sp2)–H functionalization","Green Chemistry","2026","28","6","2700","2705","10.1039/D5GC06466J","","","1.54178","CuKα","","0.0759","0.074","","","0.1955","0.1972","","","","","","1.073","","","","has coordinates","304343","2026-02-13","00:09:06",""
"7251584","14.861","0.006","13.916","0.005","13.706","0.005","90","","107.314","0.006","90","","2706","1.8","296","2","296.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H30 B2 N12 -","- C24 H30 B2 N12 -","- C96 H120 B8 N48 -","4","0.5","","Chang, Hong; Zhuang, Shiyi; Wang, Jie; Dong, Mengmeng; Liu, Chenjiang; Jin, Weiwei","Electrochemical radical borylation of N-heterocycles with NHC-boranes: efficient access to the B–N bond","Green Chemistry","2026","28","8","3541","3548","10.1039/D5GC06005B","","","0.71073","MoKα","","0.0712","0.0472","","","0.1371","0.155","","","","","","1.022","","","","has coordinates","304933","2026-03-05","12:59:40",""
"7251585","15.575","0.005","8.029","0.003","25.514","0.008","90","","102.777","0.006","90","","3111.6","1.8","296.15","","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H18 B N3 -","- C17 H18 B N3 -","- C136 H144 B8 N24 -","8","2","","Chang, Hong; Zhuang, Shiyi; Wang, Jie; Dong, Mengmeng; Liu, Chenjiang; Jin, Weiwei","Electrochemical radical borylation of N-heterocycles with NHC-boranes: efficient access to the B–N bond","Green Chemistry","2026","28","8","3541","3548","10.1039/D5GC06005B","","","0.71073","MoKα","","0.156","0.0715","","","0.1826","0.2315","","","","","","1.026","","","","has coordinates","304933","2026-03-05","12:59:41",""
"7251586","15.699","0.003","6.1877","0.0013","14.634","0.003","90","","109.537","0.003","90","","1339.7","0.5","293","1","293","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H15 B N6 -","- C12 H15 B N6 -","- C48 H60 B4 N24 -","4","1","","Chang, Hong; Zhuang, Shiyi; Wang, Jie; Dong, Mengmeng; Liu, Chenjiang; Jin, Weiwei","Electrochemical radical borylation of N-heterocycles with NHC-boranes: efficient access to the B–N bond","Green Chemistry","2026","28","8","3541","3548","10.1039/D5GC06005B","","","0.71073","MoKα","","0.0655","0.0479","","","0.1389","0.1551","","","","","","1.029","","","","has coordinates","304933","2026-03-05","12:59:44",""
"7251587","7.052","0.003","13.474","0.006","11.786","0.005","90","","99.362","0.015","90","","1105","0.8","273.15","","273.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C4 H4 Ag N11 O4 -","- C4 H4 Ag N11 O4 -","- C16 H16 Ag4 N44 O16 -","4","1","","Lv, Ruibing; Wang, Guangli; Jiao, Fangbao; Luo, Zhenghang; Song, Yujie; Wang, Wentao; Zhang, Qi","Template directed strategy of green energetic metal–organic frameworks for enhancing oxygen balance and near infrared laser initiation","Green Chemistry","2026","28","6","2894","2903","10.1039/D5GC05064B","","","0.71073","MoKα","","0.106","0.0389","","","0.0638","0.0752","","","","","","1.005","","","","has coordinates,has disorder","304345","2026-02-13","00:09:49",""
"7251588","13.3244","0.0011","15.4347","0.0014","39.283","0.003","90","","96.377","0.003","90","","8028.9","1.2","100","2","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C72 H101 B F20 N12 P4 U -","- C72 H101 B F20 N12 P4 U -","- C288 H404 B4 F80 N48 P16 U4 -","4","1","","Studvick, Chad M.; Dey, Sourav; Engle, Kaitlyn S.; Niklas, Julie E.; Sprosty, Jonah W.; La Pierre, Henry S.; Popov, Ivan A.","An-imidophosphorane (An = U-Pu) bond covalency and proton-coupled electron transfer thermodynamics driven by orbital energy matching.","Physical chemistry chemical physics : PCCP","2026","28","11","6687","6702","10.1039/d6cp00281a","","x-ray","0.71073","MoKα","","0.0558","0.043","","","0.0985","0.1046","","","","","","1.056","","","","has coordinates,has disorder","305447","2026-04-05","12:27:51",""
"7251589","9.2405","0.0002","20.5457","0.0005","6.9132","0.0002","90","","109.941","0.001","90","","1233.8","0.05","296.15","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 Cl N3 O -","- C14 H10 Cl N3 O -","- C56 H40 Cl4 N12 O4 -","4","1","","Acosta-Quiroga, Karen; Jiménez, Claudio A; Cobos-Montes, Kevin; Rodríguez-Núñez, Yeray A; López, Jhon; Guerra, Cristian; Calderón Orjuela, Deiber A; Gutierrez, Margarita; Polo-Cuadrado, Efraín","Multimodal characterization of a pyrazolo[3,4-<i>b</i>]pyridine aldehyde: quantum chemical insights, NLO activity and VEGFR-2 docking/molecular dynamics.","RSC advances","2026","16","8","7648","7658","10.1039/d5ra09658h","","","0.71073","MoKα","","0.0464","0.0403","","","0.1129","0.1182","","","","","","1.099","","","","has coordinates","304400","2026-02-13","02:37:28",""
"7251590","17.2376","0.0008","11.8058","0.0005","15.3135","0.0007","90","","92.212","0.002","90","","3114","0.2","100","2","100.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H34 O8 S2 -","- C34 H34 O8 S2 -","- C136 H136 O32 S8 -","4","1","","Mandigo, Joseph A.; Kelsey, Shaun R.; Applegate, Jason C.; Sabala, Rene C.; Dairo, Monisola K.; Weghorn, Carben R.; Fair, Raina; Berrie, Cindy L.; Thompson, Ward H.; Janzen, Daron E.; Barybin, Mikhail V.","6,6′-Biazulenic core as a platform for unlocking Hammett constants via electrochemical free-energy relationships","RSC Advances","2026","16","9","8371","8379","10.1039/D6RA00120C","","x-ray","0.71073","MoKα","","0.0693","0.0592","","","0.1546","0.164","","","","","","1.057","","","","has coordinates,has disorder","304401","2026-02-13","02:37:48",""
"7251591","18.9713","0.0007","9.4358","0.0003","27.1606","0.0011","90","","105.179","0.004","90","","4692.4","0.3","93.15","","93.15","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C29.5 H27.75 N3.25 O -","- C29.5 H27.75 N3.25 O -","- C236 H222 N26 O8 -","8","1","","Miwa, Marino; Ito, Akitaka","Fluorescent-state switching of a 10-hydroxybezo[h]quinoline skeleton through the electronic nature of substituents","RSC Advances","2026","16","10","8453","8465","10.1039/D5RA09266C","","x-ray","0.71073","MoKα","","0.0542","0.0466","","","0.1129","0.1177","","","","","","1.026","","","","has coordinates,has disorder","304402","2026-02-13","02:38:30",""
"7251592","31.2623","0.0008","31.2623","0.0008","10.4233","0.0003","90","","90","","120","","8822.2","0.4","93.15","","93.15","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C27 H21 N O1.17 -","- C27 H21 N O1.1667 -","- C486 H378 N18 O21.0006 -","18","1","","Miwa, Marino; Ito, Akitaka","Fluorescent-state switching of a 10-hydroxybezo[h]quinoline skeleton through the electronic nature of substituents","RSC Advances","2026","16","10","8453","8465","10.1039/D5RA09266C","","x-ray","0.71073","MoKα","","0.0521","0.0471","","","0.1244","0.1278","","","","","","1.018","","","","has coordinates","304402","2026-02-13","02:38:30",""
"7251593","8.773","0.0004","24.1239","0.0008","9.6591","0.0004","90","","108.576","0.004","90","","1937.74","0.14","93.15","","93.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H21 N O3 -","- C27 H21 N O3 -","- C108 H84 N4 O12 -","4","1","","Miwa, Marino; Ito, Akitaka","Fluorescent-state switching of a 10-hydroxybezo[h]quinoline skeleton through the electronic nature of substituents","RSC Advances","2026","16","10","8453","8465","10.1039/D5RA09266C","","x-ray","0.71073","MoKα","","0.0413","0.0366","","","0.0944","0.098","","","","","","1.03","","","","has coordinates","304402","2026-02-13","02:38:30",""
"7251594","14.033","0.0003","14.9961","0.0003","15.6184","0.0003","106.652","0.002","94.045","0.002","99.828","0.002","3077.75","0.12","93.15","","93.15","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H14.9 F6 N O -","- C27 H14.9 F6 N O -","- C162 H89.4 F36 N6 O6 -","6","3","","Miwa, Marino; Ito, Akitaka","Fluorescent-state switching of a 10-hydroxybezo[h]quinoline skeleton through the electronic nature of substituents","RSC Advances","2026","16","10","8453","8465","10.1039/D5RA09266C","","x-ray","0.71073","MoKα","","0.0877","0.0667","","","0.1789","0.194","","","","","","1.022","","","","has coordinates,has disorder","304402","2026-02-13","02:38:30",""
"7251595","3.8336","0.0002","20.9976","0.0009","10.584","0.0004","90","","92.115","0.004","90","","851.39","0.07","93.15","","93.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H15 F2 N O -","- C25 H15 F2 N O -","- C50 H30 F4 N2 O2 -","2","1","","Miwa, Marino; Ito, Akitaka","Fluorescent-state switching of a 10-hydroxybezo[h]quinoline skeleton through the electronic nature of substituents","RSC Advances","2026","16","10","8453","8465","10.1039/D5RA09266C","","x-ray","0.71073","MoKα","","0.0594","0.054","","","0.1443","0.151","","","","","","1.078","","","","has coordinates,has disorder","304402","2026-02-13","02:38:30",""
"7251596","7.7291","0.0005","13.5968","0.0009","32.5171","0.0019","90","","90","","90","","3417.3","0.4","93.15","","93.15","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C25 H17 N O -","- C25 H17 N O -","- C200 H136 N8 O8 -","8","2","","Miwa, Marino; Ito, Akitaka","Fluorescent-state switching of a 10-hydroxybezo[h]quinoline skeleton through the electronic nature of substituents","RSC Advances","2026","16","10","8453","8465","10.1039/D5RA09266C","","x-ray","0.71073","MoKα","","0.0517","0.0399","","","0.1025","0.1075","","","","","","1.049","","","","has coordinates","304402","2026-02-13","02:38:31",""
"7251597","5.867","0.0002","12.0575","0.0004","12.19","0.0004","81.389","0.003","80.238","0.003","86.153","0.003","839.5","0.05","298","","298","","","","","","","","","5","P 1","P 1","1","","","","- C33 H31 Cl N4 O11 -","- C33 H31 Cl N4 O11 -","- C33 H31 Cl N4 O11 -","1","1","","Kumar, Ravendra; Chauhan, Deepanshi; Gupta, Rakesh Kumar; Dubey, Pawan K.; Kushwaha, Divya","Design, synthesis, structural characterization, anticancer evaluation, and computational studies of novel quinoline-1,2,3-triazole glycohybrids","RSC Advances","2026","16","10","8466","8486","10.1039/D5RA09700B","","x-ray","1.54184","CuKα","","0.106","0.0905","","","0.2669","0.2917","","","","","","1.196","","","","has coordinates","304403","2026-02-13","02:39:01",""
"7251598","5.7948","0.0001","11.9278","0.0002","12.1042","0.0002","82.636","0.002","87.276","0.001","80.538","0.002","818.14","0.02","298","","298","","","","","","","","","4","P 1","P 1","1","","","","- C33 H32 N4 O11 -","- C33 H32 N4 O11 -","- C33 H32 N4 O11 -","1","1","","Kumar, Ravendra; Chauhan, Deepanshi; Gupta, Rakesh Kumar; Dubey, Pawan K.; Kushwaha, Divya","Design, synthesis, structural characterization, anticancer evaluation, and computational studies of novel quinoline-1,2,3-triazole glycohybrids","RSC Advances","2026","16","10","8466","8486","10.1039/D5RA09700B","","x-ray","1.54184","CuKα","","0.0342","0.0332","","","0.0823","0.0834","","","","","","1.058","","","","has coordinates","304403","2026-02-13","02:39:02",""
"7251599","5.8582","0.0003","12.1432","0.0005","12.2488","0.0004","81.207","0.003","80.608","0.003","86.419","0.004","848.93","0.06","298","","298","","","","","","","","","4","P 1","P 1","1","","","","- C11.33 H11.33 N1.33 O3.67 -","- C11.3333 H11.3333 N1.33333 O3.66667 -","- C34 H34 N4 O11 -","3","3","","Kumar, Ravendra; Chauhan, Deepanshi; Gupta, Rakesh Kumar; Dubey, Pawan K.; Kushwaha, Divya","Design, synthesis, structural characterization, anticancer evaluation, and computational studies of novel quinoline-1,2,3-triazole glycohybrids","RSC Advances","2026","16","10","8466","8486","10.1039/D5RA09700B","","x-ray","1.54184","CuKα","","0.1094","0.0908","","","0.2972","0.3171","","","","","","1.185","","","","has coordinates","304403","2026-02-13","02:39:02",""
"7251600","9.4612","0.0015","17.394","0.003","22.774","0.002","81.071","0.003","86.4","0.004","82.258","0.004","3665.3","0.9","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H30 F3 Fe N3 O4 S -","- C22 H30 F3 Fe N3 O4 S -","- C132 H180 F18 Fe6 N18 O24 S6 -","6","3","","Fadul, Adam; Cundari, Thomas; Bertke, Jeffery; Toledo, Santiago A.","Tetrad or triad? insights from a versatile Fe(ii) structural and functional model of the 3-histidine 1-carboxylate tetrad in C–C bond cleaving dioxygenase enzymes","RSC Advances","2026","16","10","8695","8708","10.1039/D5RA09716A","","","0.71073","MoKα","","0.0536","0.034","","","0.0734","0.0816","","","","","","1.024","","","","has coordinates,has disorder","304425","2026-02-13","15:48:23",""
"7251601","16.4628","0.0011","16.4628","0.0011","22.7913","0.0016","90","","90","","90","","6177","0.7","100","2","100","2","","","","","","","","7","P 42/n :2","-P 4bc","86","","","","- C44 H60 F6 Fe2 N6 O9 S2 -","- C44 H60 F6 Fe2 N6 O9 S2 -","- C176 H240 F24 Fe8 N24 O36 S8 -","4","0.5","","Fadul, Adam; Cundari, Thomas; Bertke, Jeffery; Toledo, Santiago A.","Tetrad or triad? insights from a versatile Fe(ii) structural and functional model of the 3-histidine 1-carboxylate tetrad in C–C bond cleaving dioxygenase enzymes","RSC Advances","2026","16","10","8695","8708","10.1039/D5RA09716A","","","0.71073","MoKα","","0.0511","0.0368","","","0.0966","0.1037","","","","","","1.052","","","","has coordinates,has disorder","304425","2026-02-13","15:48:24",""
"7251602","9.3761","0.0017","7.8776","0.0015","13.285","0.002","90","","94.051","0.011","90","","978.8","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 O4 -","- C10 H12 O4 -","- C40 H48 O16 -","4","1","","Li, Xinquan; Chavez, Anthony J.; Zhang, Hao; Andryushkina, Daria; Ford, Peter C.; Abu-Omar, Mahdi M.","Selective conversion of lignin to benzoquinones under ambient conditions: unlocking the potential of a single platform chemical strategy","Green Chemistry","2026","28","9","4255","4262","10.1039/D5GC04121J","","","0.71073","MoKα","","0.0677","0.0438","","","0.0913","0.1004","","","","","","0.986","","","","has coordinates","304934","2026-03-05","13:00:05",""
"7251603","9.4027","0.0004","12.8347","0.0005","13.5644","0.0005","90","","108.264","0.001","90","","1554.5","0.11","170","","170","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 Br N S -","- C17 H16 Br N S -","- C68 H64 Br4 N4 S4 -","4","1","","Hong, Jun; Wu, Tianbao; Yu, Zhihao; Zhu, Yu; Tang, Daijun; Wang, Minyan; Jiang, Xinpeng","Construction of sulfur-substituted methylenecyclobutanes via thioaromatization of [1.1.1]propellane with sulfenamides","Green Chemistry","2026","28","7","3226","3231","10.1039/D5GC05901A","","","1.34139","GaKα","","0.0371","0.0348","","","0.0819","0.0831","","","","","","1.104","","","","has coordinates","304441","2026-02-17","00:47:04",""
"7251604","6.2977","0.0004","14.2719","0.0009","27.7472","0.0018","90","","90","","90","","2493.9","0.3","229","","229","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C32 H38 O -","- C32 H38 O -","- C128 H152 O4 -","4","1","","Sun, Yajun; Kang, Tengfei; Feng, Yingdi; Sun, Huaming; Song, Geyang; Xue, Dong","Semi-heterogeneous dual iron/photocatalytic decarboxylative C(sp3)–C(sp3) cross-coupling via radical sorting","Green Chemistry","2026","28","7","3270","3278","10.1039/D5GC05705A","","","1.54178","CuKα","","0.033","0.0326","","","0.0891","0.0894","","","","","","1.028","","","","has coordinates","304442","2026-02-17","00:47:19",""
"7251605","7.6984","0.0005","24.816","0.002","7.9995","0.0007","90","","101.995","0.002","90","","1494.9","0.2","172","","172","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 F6 O4 S -","- C13 H10 F6 O4 S -","- C52 H40 F24 O16 S4 -","4","1","","Jiao, Kehan; Guo, Yunliang; Xia, Jiuli; Chen, Kaixuan; Zhu, Lihan; Dong, Ying; Qu, Jiao; Zheng, Guangfan; Sun, Jiaqiong; Xiong, Tao; Zhang, Qian","Photoredox-catalyzed cascade difluoromethylation/SO2 reintegration/polyfluoroarylation of conjugated dienes with a bifunctional CF2HSO2Na reagent","Green Chemistry","2026","28","7","3215","3225","10.1039/D5GC05765E","","x-ray","0.71073","MoKα","","0.0438","0.0362","","","0.09","0.0958","","","","","","1.042","","","","has coordinates","304443","2026-02-17","00:47:33",""
"7251606","5.6107","0.0004","10.2669","0.0008","18.5433","0.0015","87.148","0.003","87.326","0.002","88.241","0.002","1065.26","0.14","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H36 F12 O8 S2 -","- C42 H36 F12 O8 S2 -","- C42 H36 F12 O8 S2 -","1","0.5","","Jiao, Kehan; Guo, Yunliang; Xia, Jiuli; Chen, Kaixuan; Zhu, Lihan; Dong, Ying; Qu, Jiao; Zheng, Guangfan; Sun, Jiaqiong; Xiong, Tao; Zhang, Qian","Photoredox-catalyzed cascade difluoromethylation/SO2 reintegration/polyfluoroarylation of conjugated dienes with a bifunctional CF2HSO2Na reagent","Green Chemistry","2026","28","7","3215","3225","10.1039/D5GC05765E","","","0.71073","MoKα","","0.0785","0.0698","","","0.2048","0.2151","","","","","","1.069","","","","has coordinates","304443","2026-02-17","00:47:33",""
"7251607","8.4028","0.0002","10.9104","0.0003","17.5842","0.0004","90","","90","","90","","1612.08","0.07","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H17 N O3 -","- C20 H17 N O3 -","- C80 H68 N4 O12 -","4","1","","Li, Qiuyu; Wu, Ruixue; Wu, Tianbao; Wei, Renkang; Li, Zhijiao; Gao, Shang; Wang, Minyan; Yao, Hequan; Lin, Aijun","Palladium-catalyzed asymmetric sequential hydroalkylation and hydroamination of 1,3-enynes with 3-hydroxyindoles","Green Chemistry","2026","28","7","3232","3242","10.1039/D5GC05558J","","","1.54178","CuKα","","0.0366","0.0337","","","0.084","0.0865","","","","","","1.035","","","","has coordinates","304444","2026-02-17","00:48:16",""
"7251608","15.3057","0.0004","6.3268","0.0001","16.4984","0.0004","90","","91.234","0.002","90","","1597.27","0.06","170","2","170","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C38 H40 N2 O5 -","- C38 H40 N2 O5 -","- C76 H80 N4 O10 -","2","1","","Li, Qiuyu; Wu, Ruixue; Wu, Tianbao; Wei, Renkang; Li, Zhijiao; Gao, Shang; Wang, Minyan; Yao, Hequan; Lin, Aijun","Palladium-catalyzed asymmetric sequential hydroalkylation and hydroamination of 1,3-enynes with 3-hydroxyindoles","Green Chemistry","2026","28","7","3232","3242","10.1039/D5GC05558J","","","1.54178","CuKα","","0.0463","0.0411","","","0.0999","0.1046","","","","","","1.028","","","","has coordinates","304444","2026-02-17","00:48:17",""
"7251609","9.4981","0.0006","12.7136","0.0008","15.5146","0.001","90","","90","","90","","1873.5","0.2","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H23 N O3 -","- C23 H23 N O3 -","- C92 H92 N4 O12 -","4","1","","Li, Qiuyu; Wu, Ruixue; Wu, Tianbao; Wei, Renkang; Li, Zhijiao; Gao, Shang; Wang, Minyan; Yao, Hequan; Lin, Aijun","Palladium-catalyzed asymmetric sequential hydroalkylation and hydroamination of 1,3-enynes with 3-hydroxyindoles","Green Chemistry","2026","28","7","3232","3242","10.1039/D5GC05558J","","","1.54178","CuKα","","0.053","0.0452","","","0.1026","0.109","","","","","","1.068","","","","has coordinates","304444","2026-02-17","00:48:17",""
"7251610","11.2233","0.0018","21.237","0.003","9.1008","0.0012","90","","101.53","0.006","90","","2125.4","0.5","297","2","297","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H23 N3 O -","- C27 H23 N3 O -","- C108 H92 N12 O4 -","4","1","","Singh, Neetika; Kokatla, Hari Prasad; Naddi, Nagaraju; Inapanuri, Madhu","Molecular iodine catalyzed C3-quaternization via oxidative dearomatization of indoles: direct access to 3,3-di(indolyl)indolin-2-ones","RSC Advances","2026","16","9","7967","7973","10.1039/D6RA00218H","","","0.71073","MoKα","","0.0714","0.0553","","","0.1531","0.1624","","","","","","1.062","","","","has coordinates","304455","2026-02-17","02:45:59",""
"7251611","10.2869","0.0002","7.3842","0.0002","24.8911","0.0005","90","","95.917","0.002","90","","1880.67","0.07","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H17 Bi Br4 N4 O2 -","- C10 H17 Bi Br4 N4 O2 -","- C40 H68 Bi4 Br16 N16 O8 -","4","1","","Alibi, Amin; Sellami, Sameh; Elleuch, Nour; Shova, Sergiu; Chabchoub, Fakher; Boujelbene, Mohamed","A new multifunctional one-dimensional bromo-bismuthate(iii): synthesis, structural features, characterization, and optical properties of (C10H13N4)[BiBr4]·2H2O","RSC Advances","2026","16","10","9246","9263","10.1039/D5RA09435F","","","0.71073","MoKα","","0.029","0.023","","","0.0491","0.0506","","","","","","1.052","","","","has coordinates","304456","2026-02-17","02:46:15",""
"7251612","12.4359","0.0003","15.942","0.0006","21.1245","0.0004","90","","90","","90","","4188","0.2","110","2","110","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C32 H18 N2 O -","- C32 H18 N2 O -","- C256 H144 N16 O8 -","8","1","","Qiu, Nicholas P.; Eradeh, Ramin; Britt, Liam H.; Zhao, Yuming","Fusion of pyrene and phenanthrene through 5<i>H</i>-imidazo[1,2-<i>a</i>]azepine scaffolds: structural tuning for fluorescence labeling and bacterial imaging.","Physical chemistry chemical physics : PCCP","2026","28","9","5880","5893","10.1039/d5cp02942b","","x-ray","1.54184","CuKα","","0.089","0.0565","","","0.1329","0.15","","","","","","1.037","","","","has coordinates","304960","2026-03-05","13:11:42",""
"7251613","15.6162","0.0001","7.9184","0.0001","30.8317","0.0003","90","","97.428","0.001","90","","3780.51","0.07","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H18 B F15 N2 O2 -","- C50 H18 B F15 N2 O2 -","- C200 H72 B4 F60 N8 O8 -","4","1","","Qiu, Nicholas P.; Eradeh, Ramin; Britt, Liam H.; Zhao, Yuming","Fusion of pyrene and phenanthrene through 5<i>H</i>-imidazo[1,2-<i>a</i>]azepine scaffolds: structural tuning for fluorescence labeling and bacterial imaging.","Physical chemistry chemical physics : PCCP","2026","28","9","5880","5893","10.1039/d5cp02942b","","x-ray","1.54184","CuKα","","0.0505","0.0403","","","0.104","0.111","","","","","","1.026","","","","has coordinates","304960","2026-03-05","13:11:42",""
"7251614","3.9507","0.0001","17.9552","0.0004","13.8102","0.0004","90","","96.658","0.002","90","","973.03","0.04","100","2","100","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C32 H16 N2 O -","- C32 H16 N2 O -","- C64 H32 N4 O2 -","2","1","","Qiu, Nicholas P.; Eradeh, Ramin; Britt, Liam H.; Zhao, Yuming","Fusion of pyrene and phenanthrene through 5<i>H</i>-imidazo[1,2-<i>a</i>]azepine scaffolds: structural tuning for fluorescence labeling and bacterial imaging.","Physical chemistry chemical physics : PCCP","2026","28","9","5880","5893","10.1039/d5cp02942b","","x-ray","1.54184","CuKα","","0.0619","0.0517","","","0.1337","0.1424","","","","","","1.036","","","","has coordinates,has disorder","304960","2026-03-05","13:11:42",""
"7251615","18.2228","0.0007","5.8415","0.0002","18.7272","0.0007","90","","90.551","0.002","90","","1993.39","0.13","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","","Dihydrosarsolenone","","- C22 H32 O5 -","- C22 H32 O5 -","- C88 H128 O20 -","4","1","","Chuang, Yue-Wen; Ahmed, Atallah F.; Chung, Hsiao-Ling; Liu, Yueh-Wen; Chien, Su-Ying; Lin, Yu-Chi; Liaw, Chia-Ching; Wu, Yu-Jen; Weng, Jing-Ru; Pham, Quoc Vu; Su, Jui-Hsin; Sheu, Jyh-Horng; Sung, Ping-Jyun","Sarcoglaucone A, a novel sarsolenane-related diterpenoid from the soft coral Sarcophyton glaucum","RSC Advances","2026","16","10","9224","9232","10.1039/D5RA09073C","","","1.54178","CuKα","","0.0431","0.0405","","","0.1026","0.1049","","","","","","1.04","","","","has coordinates","304505","2026-02-18","02:51:04",""
"7251616","6.6754","0.0004","12.6299","0.0008","24.3212","0.0015","90","","90","","90","","2050.5","0.2","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Sarcoglaucone A","","- C22 H34 O5 -","- C22 H34 O5 -","- C88 H136 O20 -","4","1","","Chuang, Yue-Wen; Ahmed, Atallah F.; Chung, Hsiao-Ling; Liu, Yueh-Wen; Chien, Su-Ying; Lin, Yu-Chi; Liaw, Chia-Ching; Wu, Yu-Jen; Weng, Jing-Ru; Pham, Quoc Vu; Su, Jui-Hsin; Sheu, Jyh-Horng; Sung, Ping-Jyun","Sarcoglaucone A, a novel sarsolenane-related diterpenoid from the soft coral Sarcophyton glaucum","RSC Advances","2026","16","10","9224","9232","10.1039/D5RA09073C","","","1.54178","CuKα","","0.1207","0.0638","","","0.1229","0.1448","","","","","","1.042","","","","has coordinates","304505","2026-02-18","02:51:05",""
"7251617","9.0007","0.0002","14.7508","0.0004","7.4059","0.0002","90","","94.084","0.002","90","","980.77","0.04","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C4 H9 Cl3 N2 O Pd -","- C4 H9 Cl3 N2 O Pd -","- C16 H36 Cl12 N8 O4 Pd4 -","4","1","","Bougossa, Sarra; Ben Hamadi, Naoufel; Wannassi, Jassem; Mhadhbi, Noureddine; Erwann, Jeanneau; Guesmi, Ahlem; Khezami, Lotfi; Barhoumi, Houcine; Naïli, Houcine","From structure to function: a one-dimensional palladium(ii) hybrid for real-sample hydroquinone detection","RSC Advances","2026","16","11","9530","9546","10.1039/D5RA08631K","","x-ray","0.71073","MoKα","","0.0409","0.0389","","","0.1037","0.1063","","","","","","1.044","","","","has coordinates","304506","2026-02-18","02:51:18",""
"7251618","15.7357","0.0019","9.2093","0.0011","10.0884","0.0012","90","","101.195","0.004","90","","1434.1","0.3","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","4-[(E)-2-(3,4-dimethoxyphenyl)vinyl]pyridinium hexafluorosilicate","","- C15 H16 F3 N O2 Si0.5 -","- C15 H16 F3 N O2 Si0.5 -","- C60 H64 F12 N4 O8 Si2 -","4","1","","Kuz'mina, Lyudmila G.; Vedernikov, Artem I.; Sazonov, Sergey K.; Aleksandrova, Nadezhda A.; Alfimov, Michael V.; Gromov, Sergey P.","Study of the influence of anion nature on crystal packing features and feasibility of [2 + 2] photocycloaddition reaction in protonated forms of dimethoxystyrylheterocycles","CrystEngComm","2026","28","16","2560","2577","10.1039/D5CE01173F","","","0.71073","MoKα","","0.1421","0.0624","","","0.1269","0.1559","","","","","","0.96","","","","has coordinates","305789","2026-05-05","09:04:05",""
"7251619","5.1138","0.0005","8.7321","0.0008","32.131","0.003","90","","90.068","0.002","90","","1434.8","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-[(E)-2-(3,4-dimethoxyphenyl)vinyl]pyridinium iodide","","- C15 H16 I N O2 -","- C15 H16 I N O2 -","- C60 H64 I4 N4 O8 -","4","1","","Kuz'mina, Lyudmila G.; Vedernikov, Artem I.; Sazonov, Sergey K.; Aleksandrova, Nadezhda A.; Alfimov, Michael V.; Gromov, Sergey P.","Study of the influence of anion nature on crystal packing features and feasibility of [2 + 2] photocycloaddition reaction in protonated forms of dimethoxystyrylheterocycles","CrystEngComm","2026","28","16","2560","2577","10.1039/D5CE01173F","","","0.71073","MoKα","","0.0333","0.033","","","0.0817","0.0818","","","","","","1.053","","","","has coordinates","305789","2026-05-05","09:04:05",""
"7251620","7.9298","0.0002","8.3593","0.0002","43.8097","0.0009","90","","90","","90","","2904.04","0.12","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-[(E)-2-(3,4-dimethoxyphenyl)vinyl]pyridinium chloride, water solvate","","- C15 H18 Cl N O3 -","- C15 H18 Cl N O3 -","- C120 H144 Cl8 N8 O24 -","8","2","","Kuz'mina, Lyudmila G.; Vedernikov, Artem I.; Sazonov, Sergey K.; Aleksandrova, Nadezhda A.; Alfimov, Michael V.; Gromov, Sergey P.","Study of the influence of anion nature on crystal packing features and feasibility of [2 + 2] photocycloaddition reaction in protonated forms of dimethoxystyrylheterocycles","CrystEngComm","2026","28","16","2560","2577","10.1039/D5CE01173F","","","0.71073","MoKα","","0.0593","0.0529","","","0.1022","0.1048","","","","","","1.042","","","","has coordinates","305789","2026-05-05","09:04:05",""
"7251621","9.8577","0.0014","20.466","0.003","10.6379","0.0015","90","","112.173","0.004","90","","1987.5","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H46 N2 O10 S2 -","- C44 H46 N2 O10 S2 -","- C88 H92 N4 O20 S4 -","2","0.5","","Kuz'mina, Lyudmila G.; Vedernikov, Artem I.; Sazonov, Sergey K.; Aleksandrova, Nadezhda A.; Alfimov, Michael V.; Gromov, Sergey P.","Study of the influence of anion nature on crystal packing features and feasibility of [2 + 2] photocycloaddition reaction in protonated forms of dimethoxystyrylheterocycles","CrystEngComm","2026","28","16","2560","2577","10.1039/D5CE01173F","","","0.71073","MoKα","","0.1099","0.0593","","","0.1209","0.1402","","","","","","1.058","","","","has coordinates","305789","2026-05-05","09:04:05",""
"7251622","8.4977","0.0007","9.6352","0.0009","34.855","0.003","90","","90","","90","","2853.8","0.4","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-[(E)-2-(3,4-dimethoxyphenyl)vinyl]pyridinium bromide","","- C15 H16 Br N O2 -","- C15 H16 Br N O2 -","- C120 H128 Br8 N8 O16 -","8","1","","Kuz'mina, Lyudmila G.; Vedernikov, Artem I.; Sazonov, Sergey K.; Aleksandrova, Nadezhda A.; Alfimov, Michael V.; Gromov, Sergey P.","Study of the influence of anion nature on crystal packing features and feasibility of [2 + 2] photocycloaddition reaction in protonated forms of dimethoxystyrylheterocycles","CrystEngComm","2026","28","16","2560","2577","10.1039/D5CE01173F","","","0.71073","MoKα","","0.0995","0.0809","","","0.166","0.1741","","","","","","1.058","","","","has coordinates","305789","2026-05-05","09:04:05",""
"7251623","9.6794","0.0005","9.7835","0.0005","12.1156","0.0006","100.66","0.002","100.472","0.002","106.479","0.002","1047.28","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","4,4'-[c-2,t-4-bis(3,4-dimethoxyphenyl)cyclobutane-r-1,t-3-diyl]dipyridinium bis(2,4,6-trinitrobenzenolate)","","- C42 H36 N8 O18 -","- C42 H36 N8 O18 -","- C42 H36 N8 O18 -","1","0.5","","Kuz'mina, Lyudmila G.; Vedernikov, Artem I.; Sazonov, Sergey K.; Aleksandrova, Nadezhda A.; Alfimov, Michael V.; Gromov, Sergey P.","Study of the influence of anion nature on crystal packing features and feasibility of [2 + 2] photocycloaddition reaction in protonated forms of dimethoxystyrylheterocycles","CrystEngComm","2026","28","16","2560","2577","10.1039/D5CE01173F","","","0.71073","MoKα","","0.0745","0.0517","","","0.1259","0.139","","","","","","1.027","","","","has coordinates,has disorder","305789","2026-05-05","09:04:05",""
"7251624","7.1809","0.0005","25.9269","0.0018","23.5772","0.0016","90","","97.595","0.003","90","","4351.1","0.5","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-[(E)-2-(3,4-dimethoxyphenyl)vinyl]-1,3-benzothiazol-3-ium 4-methylbenzenesulfonate","","- C24 H23 N O5 S2 -","- C24 H23 N O5 S2 -","- C192 H184 N8 O40 S16 -","8","2","","Kuz'mina, Lyudmila G.; Vedernikov, Artem I.; Sazonov, Sergey K.; Aleksandrova, Nadezhda A.; Alfimov, Michael V.; Gromov, Sergey P.","Study of the influence of anion nature on crystal packing features and feasibility of [2 + 2] photocycloaddition reaction in protonated forms of dimethoxystyrylheterocycles","CrystEngComm","2026","28","16","2560","2577","10.1039/D5CE01173F","","","0.71073","MoKα","","0.0979","0.0575","","","0.1215","0.1426","","","","","","1.021","","","","has coordinates,has disorder","305789","2026-05-05","09:04:05",""
"7251625","8.8022","0.0003","9.8851","0.0004","34.8148","0.0012","90","","90","","90","","3029.26","0.19","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","4-[(E)-2-(3,4-dimethoxyphenyl)vinyl]-1-methylpyridinium tetrafluoroborate","","- C15 H16 B F4 N O2 -","- C15 H16 B F4 N O2 -","- C120 H128 B8 F32 N8 O16 -","8","1","","Kuz'mina, Lyudmila G.; Vedernikov, Artem I.; Sazonov, Sergey K.; Aleksandrova, Nadezhda A.; Alfimov, Michael V.; Gromov, Sergey P.","Study of the influence of anion nature on crystal packing features and feasibility of [2 + 2] photocycloaddition reaction in protonated forms of dimethoxystyrylheterocycles","CrystEngComm","2026","28","16","2560","2577","10.1039/D5CE01173F","","","0.71073","MoKα","","0.0735","0.0477","","","0.0897","0.1001","","","","","","1.077","","","","has coordinates","305789","2026-05-05","09:04:05",""
"7251626","8.8672","0.0014","9.318","0.0015","35.514","0.006","90","","90","","90","","2934.3","0.8","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-[(E)-2-(3,4-dimethoxyphenyl)vinyl]pyridinium nitrate","","- C15 H16 N2 O5 -","- C15 H16 N2 O5 -","- C120 H128 N16 O40 -","8","1","","Kuz'mina, Lyudmila G.; Vedernikov, Artem I.; Sazonov, Sergey K.; Aleksandrova, Nadezhda A.; Alfimov, Michael V.; Gromov, Sergey P.","Study of the influence of anion nature on crystal packing features and feasibility of [2 + 2] photocycloaddition reaction in protonated forms of dimethoxystyrylheterocycles","CrystEngComm","2026","28","16","2560","2577","10.1039/D5CE01173F","","","0.71073","MoKα","","0.155","0.074","","","0.1337","0.1613","","","","","","1.027","","","","has coordinates,has disorder","305789","2026-05-05","09:04:05",""
"7251627","9.4657","0.0005","10.2813","0.0006","12.6518","0.0006","108.94","0.002","95.789","0.002","98.472","0.002","1137.26","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","2,2'-[2-c,4-t-bis(3,4-dimethoxyphenyl)cyclobutane-1-r,3-t-diyl]bis-1,3-benzothiazol-3-ium bis(2,4,6-trinitrobenzenolate)","","- C46 H36 N8 O18 S2 -","- C46 H36 N8 O18 S2 -","- C46 H36 N8 O18 S2 -","1","0.5","","Kuz'mina, Lyudmila G.; Vedernikov, Artem I.; Sazonov, Sergey K.; Aleksandrova, Nadezhda A.; Alfimov, Michael V.; Gromov, Sergey P.","Study of the influence of anion nature on crystal packing features and feasibility of [2 + 2] photocycloaddition reaction in protonated forms of dimethoxystyrylheterocycles","CrystEngComm","2026","28","16","2560","2577","10.1039/D5CE01173F","","","0.71073","MoKα","","0.0662","0.0454","","","0.0938","0.1023","","","","","","1.035","","","","has coordinates","305789","2026-05-05","09:04:05",""
"7251628","8.2823","0.0005","12.122","0.0007","20.5398","0.0011","90","","99.496","0.002","90","","2033.9","0.2","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-[(E)-2-(3,4-dimethoxyphenyl)vinyl]pyridinium picrate","","- C21 H18 N4 O9 -","- C21 H18 N4 O9 -","- C84 H72 N16 O36 -","4","1","","Kuz'mina, Lyudmila G.; Vedernikov, Artem I.; Sazonov, Sergey K.; Aleksandrova, Nadezhda A.; Alfimov, Michael V.; Gromov, Sergey P.","Study of the influence of anion nature on crystal packing features and feasibility of [2 + 2] photocycloaddition reaction in protonated forms of dimethoxystyrylheterocycles","CrystEngComm","2026","28","16","2560","2577","10.1039/D5CE01173F","","","0.71073","MoKα","","0.1023","0.0458","","","0.0966","0.1225","","","","","","0.997","","","","has coordinates,has disorder","305789","2026-05-05","09:04:05",""
"7251629","7.164","0.0007","26.078","0.003","23.533","0.002","90","","98.064","0.003","90","","4353","0.8","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-[(E)-2-(3,4-dimethoxyphenyl)vinyl]-1,3-benzothiazol-3-ium 4-methylbenzenesulfonate / 2,2'-[2-c,4-t-bis(3,4-dimethoxyphenyl)cyclobutane-1-r,3-t-diyl]bis-1,3-benzothiazol-3-ium bis(4-methylbenzenesulfonate)","","- C24 H23 N O5 S2 -","- C23.999 H22.999 N O5 S2 -","- C191.992 H183.992 N8 O40 S16 -","8","2","","Kuz'mina, Lyudmila G.; Vedernikov, Artem I.; Sazonov, Sergey K.; Aleksandrova, Nadezhda A.; Alfimov, Michael V.; Gromov, Sergey P.","Study of the influence of anion nature on crystal packing features and feasibility of [2 + 2] photocycloaddition reaction in protonated forms of dimethoxystyrylheterocycles","CrystEngComm","2026","28","16","2560","2577","10.1039/D5CE01173F","","","0.71073","MoKα","","0.1567","0.0709","","","0.1338","0.1682","","","","","","1.024","","","","has coordinates,has disorder","305789","2026-05-05","09:04:05",""
"7251630","7.1523","0.0008","26.1","0.003","23.418","0.003","90","","98.14","0.004","90","","4327.5","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-[(E)-2-(3,4-dimethoxyphenyl)vinyl]-1,3-benzothiazol-3-ium 4-methylbenzenesulfonate / 2,2'-[2-c,4-t-bis(3,4-dimethoxyphenyl)cyclobutane-1-r,3-t-diyl]bis-1,3-benzothiazol-3-ium bis(4-methylbenzenesulfonate)","","- C24 H23 N O5 S2 -","- C24 H23 N O5 S2 -","- C192 H184 N8 O40 S16 -","8","2","","Kuz'mina, Lyudmila G.; Vedernikov, Artem I.; Sazonov, Sergey K.; Aleksandrova, Nadezhda A.; Alfimov, Michael V.; Gromov, Sergey P.","Study of the influence of anion nature on crystal packing features and feasibility of [2 + 2] photocycloaddition reaction in protonated forms of dimethoxystyrylheterocycles","CrystEngComm","2026","28","16","2560","2577","10.1039/D5CE01173F","","","0.71073","MoKα","","0.1111","0.0666","","","0.1322","0.1545","","","","","","1.015","","","","has coordinates,has disorder","305789","2026-05-05","09:04:05",""
"7251631","7.1325","0.0002","44.554","0.0012","23.0878","0.0006","90","","90","","90","","7336.9","0.3","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-[(E)-2-(3,4-dimethoxyphenyl)vinyl]pyridine,co-crystallizate with benzoic acid","","- C22 H21 N O4 -","- C22 H21 N O4 -","- C352 H336 N16 O64 -","16","2","","Kuz'mina, Lyudmila G.; Vedernikov, Artem I.; Sazonov, Sergey K.; Aleksandrova, Nadezhda A.; Alfimov, Michael V.; Gromov, Sergey P.","Study of the influence of anion nature on crystal packing features and feasibility of [2 + 2] photocycloaddition reaction in protonated forms of dimethoxystyrylheterocycles","CrystEngComm","2026","28","16","2560","2577","10.1039/D5CE01173F","","","0.71073","MoKα","","0.1466","0.0662","","","0.1272","0.157","","","","","","1.014","","","","has coordinates","305789","2026-05-05","09:04:05",""
"7251632","12.0542","0.0008","13.2014","0.0009","16.667","0.0011","69.704","0.004","89.857","0.004","73.979","0.003","2378.1","0.3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","4-[(E)-2-(3,4-dimethoxyphenyl)vinyl]quinolinium 4-methylbenzenesulfonate, benzene solvate","","- C27.5 H26.5 N O5 S -","- C27.5 H26.5 N O5 S -","- C110 H106 N4 O20 S4 -","4","2","","Kuz'mina, Lyudmila G.; Vedernikov, Artem I.; Sazonov, Sergey K.; Aleksandrova, Nadezhda A.; Alfimov, Michael V.; Gromov, Sergey P.","Study of the influence of anion nature on crystal packing features and feasibility of [2 + 2] photocycloaddition reaction in protonated forms of dimethoxystyrylheterocycles","CrystEngComm","2026","28","16","2560","2577","10.1039/D5CE01173F","","","0.71073","MoKα","","0.2437","0.1037","","","0.1605","0.2049","","","","","","1.014","","","","has coordinates,has disorder","305789","2026-05-05","09:04:05",""
"7251633","7.3067","0.0002","8.5961","0.0006","9.2256","0.0005","97.453","0.005","95.821","0.003","92.451","0.004","570.67","0.05","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C15 H10 B F2 N O -","- C15 H10 B F2 N O -","- C30 H20 B2 F4 N2 O2 -","2","1","","Nakano, Takeo; Ichikawa, Shota; Inaba, Ryoto; Sumida, Akifumi; Hamasaki, Atom; Imoto, Hiroaki; Naka, Kensuke","Development of unsymmetrical boron complexes bearing (iso)quinolylphenol ligands and their halogenated derivatives; crystal polymorphism for white-light-emitting properties.","Physical chemistry chemical physics : PCCP","2026","28","7","4626","4635","10.1039/d5cp04402b","","x-ray","1.54184","CuKα","","0.0883","0.0718","","","0.2058","0.2178","","","","","","1.098","","","","has coordinates","304542","2026-02-19","02:24:31",""
"7251634","15.7169","0.0013","7.4273","0.0004","10.7772","0.001","90","","94.246","0.008","90","","1254.61","0.17","100.15","","100.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C15 H9 B Cl F2 N O -","- C15 H9 B Cl F2 N O -","- C60 H36 B4 Cl4 F8 N4 O4 -","4","0.5","","Nakano, Takeo; Ichikawa, Shota; Inaba, Ryoto; Sumida, Akifumi; Hamasaki, Atom; Imoto, Hiroaki; Naka, Kensuke","Development of unsymmetrical boron complexes bearing (iso)quinolylphenol ligands and their halogenated derivatives; crystal polymorphism for white-light-emitting properties.","Physical chemistry chemical physics : PCCP","2026","28","7","4626","4635","10.1039/d5cp04402b","","x-ray","1.54184","CuKα","","0.0733","0.054","","","0.1187","0.1282","","","","","","1.116","","","","has coordinates,has disorder","304542","2026-02-19","02:24:32",""
"7251635","6.7696","0.0004","8.4846","0.0006","10.597","0.0008","92.59","0.006","95.124","0.006","96.214","0.005","601.74","0.07","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C15 H9 B F3 N O -","- C15 H9 B F3 N O -","- C30 H18 B2 F6 N2 O2 -","2","1","","Nakano, Takeo; Ichikawa, Shota; Inaba, Ryoto; Sumida, Akifumi; Hamasaki, Atom; Imoto, Hiroaki; Naka, Kensuke","Development of unsymmetrical boron complexes bearing (iso)quinolylphenol ligands and their halogenated derivatives; crystal polymorphism for white-light-emitting properties.","Physical chemistry chemical physics : PCCP","2026","28","7","4626","4635","10.1039/d5cp04402b","","x-ray","0.71073","MoKα","","0.0508","0.0404","","","0.1124","0.1228","","","","","","1.022","","","","has coordinates","304542","2026-02-19","02:24:32",""
"7251636","6.7344","0.0002","8.3673","0.0003","12.9637","0.0005","71.272","0.003","81.388","0.003","84.912","0.003","683.37","0.04","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C15.5 H9 B Cl F3 N O -","- C15.5 H10 B Cl F3 N O -","- C31 H20 B2 Cl2 F6 N2 O2 -","2","1","","Nakano, Takeo; Ichikawa, Shota; Inaba, Ryoto; Sumida, Akifumi; Hamasaki, Atom; Imoto, Hiroaki; Naka, Kensuke","Development of unsymmetrical boron complexes bearing (iso)quinolylphenol ligands and their halogenated derivatives; crystal polymorphism for white-light-emitting properties.","Physical chemistry chemical physics : PCCP","2026","28","7","4626","4635","10.1039/d5cp04402b","","x-ray","1.54184","CuKα","","0.0588","0.0514","","","0.1406","0.1469","","","","","","1.041","","","","has coordinates,has disorder","304542","2026-02-19","02:24:32",""
"7251637","15.7404","0.0011","7.4307","0.0006","10.777","0.0009","90","","94.249","0.007","90","","1257.04","0.17","100.15","","100.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C15 H9 B Cl F2 N O -","- C15 H9 B Cl F2 N O -","- C60 H36 B4 Cl4 F8 N4 O4 -","4","0.5","","Nakano, Takeo; Ichikawa, Shota; Inaba, Ryoto; Sumida, Akifumi; Hamasaki, Atom; Imoto, Hiroaki; Naka, Kensuke","Development of unsymmetrical boron complexes bearing (iso)quinolylphenol ligands and their halogenated derivatives; crystal polymorphism for white-light-emitting properties.","Physical chemistry chemical physics : PCCP","2026","28","7","4626","4635","10.1039/d5cp04402b","","x-ray","1.54184","CuKα","","0.0635","0.0501","","","0.1221","0.1311","","","","","","1.061","","","","has coordinates,has disorder","304542","2026-02-19","02:24:32",""
"7251638","12.0315","0.0004","10.9383","0.0004","18.9864","0.0006","90","","90.954","0.003","90","","2498.34","0.15","100","0.1","100","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C15 H9 B Cl F2 N O -","- C15 H9 B Cl F2 N O -","- C120 H72 B8 Cl8 F16 N8 O8 -","8","1","","Nakano, Takeo; Ichikawa, Shota; Inaba, Ryoto; Sumida, Akifumi; Hamasaki, Atom; Imoto, Hiroaki; Naka, Kensuke","Development of unsymmetrical boron complexes bearing (iso)quinolylphenol ligands and their halogenated derivatives; crystal polymorphism for white-light-emitting properties.","Physical chemistry chemical physics : PCCP","2026","28","7","4626","4635","10.1039/d5cp04402b","","x-ray","1.54184","CuKα","","0.0607","0.0548","","","0.1495","0.1548","","","","","","1.072","","","","has coordinates","304542","2026-02-19","02:24:32",""
"7251639","8.0402","0.0004","8.5609","0.0004","18.7514","0.001","79.984","0.004","87.56","0.004","88.01","0.004","1269.37","0.11","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C15 H9 B Cl F2 N O -","- C15 H9 B Cl F2 N O -","- C60 H36 B4 Cl4 F8 N4 O4 -","4","2","","Nakano, Takeo; Ichikawa, Shota; Inaba, Ryoto; Sumida, Akifumi; Hamasaki, Atom; Imoto, Hiroaki; Naka, Kensuke","Development of unsymmetrical boron complexes bearing (iso)quinolylphenol ligands and their halogenated derivatives; crystal polymorphism for white-light-emitting properties.","Physical chemistry chemical physics : PCCP","2026","28","7","4626","4635","10.1039/d5cp04402b","","x-ray","0.71073","MoKα","","0.077","0.0581","","","0.1537","0.1719","","","","","","1.075","","","","has coordinates","304542","2026-02-19","02:24:32",""
"7251640","5.4555","0.0001","8.2759","0.0001","14.6095","0.0002","90.721","0.001","98.723","0.002","108.09","0.002","618.499","0.018","170","2","170","2","","","","","","","","7","P -1","-P 1","2","","","","- C14 H28 Cl2 N2 Na2 O12 Pd -","- C14 H28 Cl2 N2 Na2 O12 Pd -","- C14 H28 Cl2 N2 Na2 O12 Pd -","1","0.5","","Kodrin, Ivan; Rodríguez, Maricel Gabriela; Politeo, Nives; Soldin, Željka; Kerš, Igor; Rončević, Tomislav; Čikeš Čulić, Vedrana; Sokol, Vesna; Doctorovich, Fabio; Kukovec, Boris-Marko","The influence of the substituent type and position on the topology of 2-D heterometallic sodium–palladium(ii) coordination networks with substituted nicotinate ligands","RSC Advances","2026","16","11","9520","9529","10.1039/D5RA08782A","","","1.54184","CuKα","","0.0323","0.0321","","","0.0869","0.0869","","","","","","1.062","","","","has coordinates","304543","2026-02-19","02:45:33",""
"7251641","8.4926","0.0002","25.4917","0.0005","5.4929","0.0001","90","","102.535","0.002","90","","1160.82","0.04","296","2","296","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C12 H22 Cl2 F2 N2 Na2 O12 Pd -","- C12 H22 Cl2 F2 N2 Na2 O12 Pd -","- C24 H44 Cl4 F4 N4 Na4 O24 Pd2 -","2","0.5","","Kodrin, Ivan; Rodríguez, Maricel Gabriela; Politeo, Nives; Soldin, Željka; Kerš, Igor; Rončević, Tomislav; Čikeš Čulić, Vedrana; Sokol, Vesna; Doctorovich, Fabio; Kukovec, Boris-Marko","The influence of the substituent type and position on the topology of 2-D heterometallic sodium–palladium(ii) coordination networks with substituted nicotinate ligands","RSC Advances","2026","16","11","9520","9529","10.1039/D5RA08782A","","","0.71073","MoKα","","0.0274","0.0239","","","0.0528","0.0545","","","","","","1.06","","","","has coordinates","304543","2026-02-19","02:45:34",""
"7251642","7.5076","0.0006","11.7226","0.001","15.5802","0.0013","86.106","0.004","85.031","0.003","86.792","0.003","1361.2","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H20 F8 N2 O3 -","- C33 H20 F8 N2 O3 -","- C66 H40 F16 N4 O6 -","2","1","","Mali, Bhupendra P.; Dabke, Niteen B.; Sharma, Himanshu; Dash, Soumya Ranjan; Manoj, Kochunnoonny; Vanka, Kumar; Gonnade, Rajesh G.","Switchable solid-state emission in GFP chromophore analogue cocrystals via competing AIE and ACQ pathways","CrystEngComm","2026","28","11","1775","1780","10.1039/D6CE00041J","","","0.71073","MoKα","","0.0615","0.0531","","","0.1204","0.1243","","","","","","1.122","","","","has coordinates","305345","2026-04-05","11:59:04",""
"7251643","7.842","0.0003","8.0067","0.0003","44.0828","0.0019","87.523","0.002","88.221","0.002","78.969","0.001","2713.48","0.19","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H22 N6 O3 -","- C33 H22 N6 O3 -","- C132 H88 N24 O12 -","4","2","","Mali, Bhupendra P.; Dabke, Niteen B.; Sharma, Himanshu; Dash, Soumya Ranjan; Manoj, Kochunnoonny; Vanka, Kumar; Gonnade, Rajesh G.","Switchable solid-state emission in GFP chromophore analogue cocrystals via competing AIE and ACQ pathways","CrystEngComm","2026","28","11","1775","1780","10.1039/D6CE00041J","","","0.71073","MoKα","","0.0656","0.0537","","","0.1187","0.124","","","","","","1.105","","","","has coordinates","305345","2026-04-05","11:59:04",""
"7251644","7.7363","0.0003","21.8852","0.0008","14.6478","0.0006","90","","93.086","0.001","90","","2476.43","0.17","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H21 F5 N2 O4 -","- C29 H21 F5 N2 O4 -","- C116 H84 F20 N8 O16 -","4","1","","Mali, Bhupendra P.; Dabke, Niteen B.; Sharma, Himanshu; Dash, Soumya Ranjan; Manoj, Kochunnoonny; Vanka, Kumar; Gonnade, Rajesh G.","Switchable solid-state emission in GFP chromophore analogue cocrystals via competing AIE and ACQ pathways","CrystEngComm","2026","28","11","1775","1780","10.1039/D6CE00041J","","","0.71073","MoKα","","0.0997","0.0734","","","0.1318","0.1416","","","","","","1.148","","","","has coordinates","305345","2026-04-05","11:59:04",""
"7251645","13.7016","0.0003","10.0092","0.0003","19.051","0.0005","90","","95.077","0.001","90","","2602.44","0.12","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H41 N4 O3 P -","- C24 H41 N4 O3 P -","- C96 H164 N16 O12 P4 -","4","1","","Navarro, Yolanda; Soriano, Stéphane; de Castro Silva, Henrique; Iglesias, María José; Guedes, Guilherme P.; Ortiz, Fernando López","Coordination compounds based on a phosphonic diamide-TEMPO diradical and CuII, NdIII, EuIII and TbIII ions: synthesis, magnetic properties and application in the aerobic oxidation of allylic and benzylic alcohols","CrystEngComm","2026","28","12","1938","1953","10.1039/D5CE01150G","","","1.54178","CuKα","","0.0448","0.0374","","","0.084","0.0877","","","","","","1.041","","","","has coordinates","305350","2026-04-05","11:59:55",""
"7251646","12.2774","0.0003","31.7772","0.0006","20.026","0.0004","90","","95.2292","0.0011","90","","7780.5","0.3","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C63 H85 F18 N8 O12 P2 Tb -","- C63 H85 F18 N8 O12 P2 Tb -","- C252 H340 F72 N32 O48 P8 Tb4 -","4","1","","Navarro, Yolanda; Soriano, Stéphane; de Castro Silva, Henrique; Iglesias, María José; Guedes, Guilherme P.; Ortiz, Fernando López","Coordination compounds based on a phosphonic diamide-TEMPO diradical and CuII, NdIII, EuIII and TbIII ions: synthesis, magnetic properties and application in the aerobic oxidation of allylic and benzylic alcohols","CrystEngComm","2026","28","12","1938","1953","10.1039/D5CE01150G","","","1.54178","CuKα","","0.0506","0.0389","","","0.0814","0.0862","","","","","","1.018","","","","has coordinates,has disorder","305350","2026-04-05","11:59:55",""
"7251647","19.445","0.0005","23.4941","0.0004","17.6409","0.0004","90","","90","","90","","8059.1","0.3","100","","100","","","","","","","","","7","A e a 2","A 2 -2ab","41","","","","- C63 H85 F18 N8 Nd O12 P2 -","- C63 H85 F18 N8 Nd O12 P2 -","- C252 H340 F72 N32 Nd4 O48 P8 -","4","0.5","","Navarro, Yolanda; Soriano, Stéphane; de Castro Silva, Henrique; Iglesias, María José; Guedes, Guilherme P.; Ortiz, Fernando López","Coordination compounds based on a phosphonic diamide-TEMPO diradical and CuII, NdIII, EuIII and TbIII ions: synthesis, magnetic properties and application in the aerobic oxidation of allylic and benzylic alcohols","CrystEngComm","2026","28","12","1938","1953","10.1039/D5CE01150G","","","1.54178","CuKα","","0.0479","0.0403","","","0.0954","0.0998","","","","","","1.046","","","","has coordinates,has disorder","305350","2026-04-05","11:59:55",""
"7251648","19.5128","0.0004","23.4721","0.0005","17.509","0.0005","90","","90","","90","","8019.2","0.3","100","","100","","","","","","","","","7","A e a 2","A 2 -2ab","41","","","","- C63 H85 Eu F18 N8 O12 P2 -","- C63 H85 Eu F18 N8 O12 P2 -","- C252 H340 Eu4 F72 N32 O48 P8 -","4","0.5","","Navarro, Yolanda; Soriano, Stéphane; de Castro Silva, Henrique; Iglesias, María José; Guedes, Guilherme P.; Ortiz, Fernando López","Coordination compounds based on a phosphonic diamide-TEMPO diradical and CuII, NdIII, EuIII and TbIII ions: synthesis, magnetic properties and application in the aerobic oxidation of allylic and benzylic alcohols","CrystEngComm","2026","28","12","1938","1953","10.1039/D5CE01150G","","","0.71073","MoKα","","0.0419","0.032","","","0.0621","0.0655","","","","","","1.048","","","","has coordinates,has disorder","305350","2026-04-05","11:59:55",""
"7251649","38.926","0.002","12.0395","0.0006","20.668","0.001","90","","111.217","0.004","90","","9029.5","0.8","100","","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C34 H43 Cu F12 N4 O7 P -","- C34 H43 Cu F12.003 N4 O7 P -","- C272 H344 Cu8 F96.024 N32 O56 P8 -","8","1","","Navarro, Yolanda; Soriano, Stéphane; de Castro Silva, Henrique; Iglesias, María José; Guedes, Guilherme P.; Ortiz, Fernando López","Coordination compounds based on a phosphonic diamide-TEMPO diradical and CuII, NdIII, EuIII and TbIII ions: synthesis, magnetic properties and application in the aerobic oxidation of allylic and benzylic alcohols","CrystEngComm","2026","28","12","1938","1953","10.1039/D5CE01150G","","","1.54178","CuKα","","0.0778","0.0597","","","0.142","0.1519","","","","","","1.031","","","","has coordinates,has disorder","305350","2026-04-05","11:59:55",""
"7251650","7.0533","0.0008","10.1731","0.0016","13.3163","0.0016","69.361","0.014","75.835","0.01","88.474","0.012","865.1","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H24 F2 O4 -","- C16 H24 F2 O4 -","- C32 H48 F4 O8 -","2","1","","Han, Jianguo; Lang, Yatao; Zhu, Chen; Yue, Huifeng","Solvent-controlled divergent 1,2-dialkylation and 1,1,2-bromodialkylation of terminal alkynes to access difluoroalkylated cyclopentanes","Green Chemistry","2026","28","11","4842","4849","10.1039/D5GC06365E","","x-ray","0.71073","MoKα","","0.1599","0.1171","","","0.3274","0.3547","","","","","","1.207","","","","has coordinates","305406","2026-04-05","12:19:24",""
"7251651","7.2575","0.0003","10.68","0.0005","12.7493","0.0004","108.466","0.004","106.202","0.004","93.974","0.004","886.5","0.07","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C16 H21 Br F2 O6 -","- C16 H21 Br F2 O6 -","- C32 H42 Br2 F4 O12 -","2","1","","Han, Jianguo; Lang, Yatao; Zhu, Chen; Yue, Huifeng","Solvent-controlled divergent 1,2-dialkylation and 1,1,2-bromodialkylation of terminal alkynes to access difluoroalkylated cyclopentanes","Green Chemistry","2026","28","11","4842","4849","10.1039/D5GC06365E","","x-ray","1.54184","CuKα","","0.0701","0.0611","","","0.1567","0.161","","","","","","1.048","","","","has coordinates","305406","2026-04-05","12:19:24",""
"7251652","16.956","0.0002","8.6506","0.0001","14.9967","0.0002","90","","119.598","0.002","90","","1912.67","0.06","99.99","0.1","99.99","0.1","","","","","","","","5","I 1 a 1","I -2ya","9","","","","- C12 H11 F18 N2 P -","- C12 H11 F18 N2 P -","- C48 H44 F72 N8 P4 -","4","1","","Graf, Roland; Preitschopf, Tobias; Bejaoui, Younes K. J.; Schopper, Nils; Zapf, Ludwig; Knuplez, Tanja; Schneider, Leon N.; K A Jobst, Lukas; Sprenger, Jan A. P.; Wolz, Laura; Bertermann, Rüdiger; Schulte, Michael; Ignat'ev, Nikolai V.; Finze, Maik","Pentafluoroethyl(fluoro)phosphate ionic liquids: synthesis and properties.","Physical chemistry chemical physics : PCCP","2026","28","12","7304","7317","10.1039/d6cp00061d","","x-ray","1.54184","CuKα","","0.053","0.0527","","","0.1366","0.137","","","","","","1.085","","","","has coordinates","305448","2026-04-05","12:27:56",""
"7251653","12.8239","0.0002","8.3876","0.0001","14.1448","0.0002","90","","90.123","0.001","90","","1521.44","0.04","100","2","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H15 F10 N2 P -","- C10 H15 F10 N2 P -","- C40 H60 F40 N8 P4 -","4","1","","Graf, Roland; Preitschopf, Tobias; Bejaoui, Younes K. J.; Schopper, Nils; Zapf, Ludwig; Knuplez, Tanja; Schneider, Leon N.; K A Jobst, Lukas; Sprenger, Jan A. P.; Wolz, Laura; Bertermann, Rüdiger; Schulte, Michael; Ignat'ev, Nikolai V.; Finze, Maik","Pentafluoroethyl(fluoro)phosphate ionic liquids: synthesis and properties.","Physical chemistry chemical physics : PCCP","2026","28","12","7304","7317","10.1039/d6cp00061d","","x-ray","1.54184","CuKα","","0.0507","0.0492","","","0.1383","0.1411","","","","","","1.085","","","","has coordinates,has disorder","305448","2026-04-05","12:27:56",""
"7251654","9.407","0.0001","9.8575","0.0001","14.6083","0.0002","90","","96.374","0.001","90","","1346.25","0.03","100","2","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H11 F10 N2 P -","- C8 H11 F10 N2 P -","- C32 H44 F40 N8 P4 -","4","1","","Graf, Roland; Preitschopf, Tobias; Bejaoui, Younes K. J.; Schopper, Nils; Zapf, Ludwig; Knuplez, Tanja; Schneider, Leon N.; K A Jobst, Lukas; Sprenger, Jan A. P.; Wolz, Laura; Bertermann, Rüdiger; Schulte, Michael; Ignat'ev, Nikolai V.; Finze, Maik","Pentafluoroethyl(fluoro)phosphate ionic liquids: synthesis and properties.","Physical chemistry chemical physics : PCCP","2026","28","12","7304","7317","10.1039/d6cp00061d","","x-ray","1.54184","CuKα","","0.0507","0.0504","","","0.1596","0.16","","","","","","1.097","","","","has coordinates","305448","2026-04-05","12:27:56",""
"7251655","8.7017","0.0002","12.7582","0.0004","15.382","0.0004","71.555","0.002","87.074","0.002","83.244","0.002","1608.53","0.08","100","10","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C10 H11 F14 N2 P -","- C10 H11 F14 N2 P -","- C40 H44 F56 N8 P4 -","4","2","","Graf, Roland; Preitschopf, Tobias; Bejaoui, Younes K. J.; Schopper, Nils; Zapf, Ludwig; Knuplez, Tanja; Schneider, Leon N.; K A Jobst, Lukas; Sprenger, Jan A. P.; Wolz, Laura; Bertermann, Rüdiger; Schulte, Michael; Ignat'ev, Nikolai V.; Finze, Maik","Pentafluoroethyl(fluoro)phosphate ionic liquids: synthesis and properties.","Physical chemistry chemical physics : PCCP","2026","28","12","7304","7317","10.1039/d6cp00061d","","x-ray","1.54184","CuKα","","0.1324","0.1253","","","0.2596","0.2647","","","","","","1.049","","","","has coordinates","305448","2026-04-05","12:27:56",""
"7251656","8.6017","0.0001","8.9823","0.0001","13.4288","0.0001","90","","101.575","0.001","90","","1016.45","0.018","100","2","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H11 F6 N2 P -","- C6 H11 F6 N2 P -","- C24 H44 F24 N8 P4 -","4","1","","Graf, Roland; Preitschopf, Tobias; Bejaoui, Younes K. J.; Schopper, Nils; Zapf, Ludwig; Knuplez, Tanja; Schneider, Leon N.; K A Jobst, Lukas; Sprenger, Jan A. P.; Wolz, Laura; Bertermann, Rüdiger; Schulte, Michael; Ignat'ev, Nikolai V.; Finze, Maik","Pentafluoroethyl(fluoro)phosphate ionic liquids: synthesis and properties.","Physical chemistry chemical physics : PCCP","2026","28","12","7304","7317","10.1039/d6cp00061d","","x-ray","1.54184","CuKα","","0.0335","0.0324","","","0.0837","0.0845","","","","","","1.076","","","","has coordinates","305448","2026-04-05","12:27:56",""
"7251657","7.588","0.0002","7.931","0.0002","16.264","0.0005","86.363","0.005","87.854","0.005","69.099","0.003","912.41","0.05","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H10 Cl4 Hg2 N4 O -","- C12 H10 Cl4 Hg2 N4 O -","- C24 H20 Cl8 Hg4 N8 O2 -","2","1","","Novikov, Alexander S.; Mahmoudi, Ghodrat; Azizova, Asmet N.; Zangrando, Ennio; Şahin, Ertan; Alexandrov, Eugeny V.; Roy, Subhadip; Adhikari, Suman","Coordination versatility and weak Hg⋯X (X = Cl, O, N) interactions in hydrazone-based Hg(ii) complexes: structural evolution from discrete units to extended architectures","CrystEngComm","2026","28","13","2036","2046","10.1039/D5CE01185J","","","0.71073","MoKα","","0.0457","0.0336","","","0.0711","0.0782","","","","","","1.071","","","","has coordinates","305342","2026-04-05","11:58:37",""
"7251658","13.647","0.005","16.454","0.005","8.229","0.003","90","","96.852","0.005","90","","1834.6","1.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 Cl2 Hg N4 O -","- C18 H14 Cl2 Hg N4 O -","- C72 H56 Cl8 Hg4 N16 O4 -","4","1","","Novikov, Alexander S.; Mahmoudi, Ghodrat; Azizova, Asmet N.; Zangrando, Ennio; Şahin, Ertan; Alexandrov, Eugeny V.; Roy, Subhadip; Adhikari, Suman","Coordination versatility and weak Hg⋯X (X = Cl, O, N) interactions in hydrazone-based Hg(ii) complexes: structural evolution from discrete units to extended architectures","CrystEngComm","2026","28","13","2036","2046","10.1039/D5CE01185J","","","0.71073","MoKα","","0.0772","0.0415","","","0.0774","0.0937","","","","","","0.851","","","","has coordinates","305342","2026-04-05","11:58:37",""
"7251659","11.4724","0.0007","12.4973","0.0007","14.1981","0.0008","94.126","0.009","90.617","0.008","94.83","0.008","2022.9","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H26 Cl6 Hg4 N8 O2 -","- C36 H26 Cl6 Hg4 N8 O2 -","- C72 H52 Cl12 Hg8 N16 O4 -","2","1","","Novikov, Alexander S.; Mahmoudi, Ghodrat; Azizova, Asmet N.; Zangrando, Ennio; Şahin, Ertan; Alexandrov, Eugeny V.; Roy, Subhadip; Adhikari, Suman","Coordination versatility and weak Hg⋯X (X = Cl, O, N) interactions in hydrazone-based Hg(ii) complexes: structural evolution from discrete units to extended architectures","CrystEngComm","2026","28","13","2036","2046","10.1039/D5CE01185J","","","0.71073","MoKα","","0.0273","0.0242","","","0.0607","0.0622","","","","","","1.039","","","","has coordinates","305342","2026-04-05","11:58:37",""
"7251660","16.2565","0.0001","8.2382","0.0001","19.2818","0.0001","90","","90.941","0.001","90","","2581.95","0.04","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","triphenylamine_aroyl-S,N-ketene_acetal","(Z)-2-(3-(4-(diphenylamino)benzyl)benzo[d]thiazol-2(3H)-ylidene)-1-phenylethan-1-one","","- C34 H26 N2 O S -","- C34 H26 N2 O S -","- C136 H104 N8 O4 S4 -","4","1","","El Abbassi, Abdelouahad; Krenzer, Julius; Petrov, Eugene P.; Biesen, Lukas; Vasylyeva, Vera; Merzenich, Sarah; Resch-Genger, Ute; Müller, Thomas J. J.","Aroyl-S,N-ketene acetal-triarylamine bichromophores – intramolecular energy transfer and dual emission upon induced aggregation and encapsulation","RSC Advances","2026","16","11","10255","10260","10.1039/D5RA09361A","","x-ray","1.54184","CuKα","","0.0336","0.0311","","","0.0812","0.0831","","","","","","1.071","","","","has coordinates","304578","2026-02-21","02:36:50",""
"7251661","7.8399","0.0008","9.4995","0.0008","24.376","0.002","90","","90","","90","","1815.4","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","L-histidine Iodide","","- C6 H10 I N3 O2 -","- C6 H10 I N3 O2 -","- C48 H80 I8 N24 O16 -","8","2","","Walha, Sandra; Hussein, Rageh K.; Roisnel, Thierry; Ben Ahmed, Ali","Imidazolium versus phenylalaninium hybrid salts: supramolecular control of electronic, nonlinear optical and bioactive properties","RSC Advances","2026","16","11","10230","10242","10.1039/D5RA09394E","","","0.71073","MoKα","","0.0913","0.0441","","","0.0739","0.0829","","","","","","0.777","","","","has coordinates","304579","2026-02-21","02:37:07",""
"7251662","5.383","0.0017","7.045","0.002","27.746","0.01","90","","90","","90","","1052.2","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H12 Cl N O2 -","- C9 H12 Cl N O2 -","- C36 H48 Cl4 N4 O8 -","4","1","","Walha, Sandra; Hussein, Rageh K.; Roisnel, Thierry; Ben Ahmed, Ali","Imidazolium versus phenylalaninium hybrid salts: supramolecular control of electronic, nonlinear optical and bioactive properties","RSC Advances","2026","16","11","10230","10242","10.1039/D5RA09394E","","","0.71073","MoKα","","0.0545","0.0407","","","0.0815","0.0868","","","","","","1.075","","","","has coordinates","304579","2026-02-21","02:37:07",""
"7251663","14.761","0.0011","8.8319","0.0006","10.3387","0.0008","90","","95.102","0.007","90","","1342.49","0.17","100","0.1","100","0.1","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- Co3 O6 Te -","- Co3 O6 Te -","- Co36 O72 Te12 -","12","1.5","","Zhou, Chaoqun; Wang, Luyao; Lei, Xiuyun; Yin, Congling; Liu, Laijun; Guo, Wenbin","A facile method to grow crystals of the cobalt tellurite multiferroic material Co3TeO6","CrystEngComm","2026","28","15","2468","2472","10.1039/D5CE01122A","","x-ray","0.71073","MoKα","","0.0635","0.06","","","0.1541","0.1591","","","","","","1.073","","","","has coordinates","305798","2026-05-05","09:05:12",""
"7251664","5.3509","0.0002","6.4894","0.0003","16.2659","0.0006","100.729","0.001","94.129","0.001","98.966","0.001","545.19","0.04","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H12 Cl4.3 I1.7 O4 -","- C20 H12 Cl4.2964 I1.7036 O4 -","- C20 H12 Cl4.2964 I1.7036 O4 -","1","0.5","","Feld, Emmett H.; Bosch, Eric; Unruh, Daniel K.; Krueger, Herman R.; Groeneman, Ryan H.","Exploiting π-type halogen bonds as a means to achieve mixed co-crystals: crystallographic and computational evidence of a Cl⋯π halogen bond in the organic solid state","CrystEngComm","2026","28","11","1770","1774","10.1039/D6CE00047A","","","0.71073","MoKα","","0.0124","0.0121","","","0.0289","0.029","","","","","","1.144","","","","has coordinates","305344","2026-04-05","11:59:00",""
"7251665","5.0898","0.0002","6.926","0.0003","16.2552","0.0006","99.932","0.001","93.092","0.001","96.812","0.001","558.83","0.04","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H14 Cl4 I2 N2 O2 -","- C20 H14 Cl4 I2 N2 O2 -","- C20 H14 Cl4 I2 N2 O2 -","1","0.5","","Feld, Emmett H.; Bosch, Eric; Unruh, Daniel K.; Krueger, Herman R.; Groeneman, Ryan H.","Exploiting π-type halogen bonds as a means to achieve mixed co-crystals: crystallographic and computational evidence of a Cl⋯π halogen bond in the organic solid state","CrystEngComm","2026","28","11","1770","1774","10.1039/D6CE00047A","","","0.71073","MoKα","","0.0137","0.0133","","","0.0309","0.0312","","","","","","1.079","","","","has coordinates","305344","2026-04-05","11:59:00",""
"7251666","5.0831","0.001","6.9377","0.0011","16.19","0.005","100.35","0.009","93.108","0.014","96.628","0.007","556.3","0.2","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H14 Cl4.37 I1.63 N2 O2 -","- C20 H14 Cl4.3698 I1.6302 N2 O2 -","- C20 H14 Cl4.3698 I1.6302 N2 O2 -","1","0.5","","Feld, Emmett H.; Bosch, Eric; Unruh, Daniel K.; Krueger, Herman R.; Groeneman, Ryan H.","Exploiting π-type halogen bonds as a means to achieve mixed co-crystals: crystallographic and computational evidence of a Cl⋯π halogen bond in the organic solid state","CrystEngComm","2026","28","11","1770","1774","10.1039/D6CE00047A","","","0.71073","MoKα","","0.0149","0.0144","","","0.0333","0.0335","","","","","","1.096","","","","has coordinates","305344","2026-04-05","11:59:00",""
"7251667","31.1367","0.0013","13.3057","0.0007","32.8861","0.0015","90","","91.703","0.004","90","","13618.5","1.1","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C152 H120 Dy4 N20 O28 -","- C152 H120 Dy4 N20 O28 -","- C608 H480 Dy16 N80 O112 -","4","0.5","","Liu, Chen-Yang; Zhang, Qing-Yun; Zhan, Cai-Xia; Cao, Chen; Zhong, Fu-Hui; Zheng, Xiao-Yue; Peng, Yan; Liu, Sui-Jun; Hu, Zhao-Bo; Wen, He-Rui","Substituent effect on the synthesis and magnetic properties of carboxylic acid ligand coordinated dysprosium complexes","CrystEngComm","2026","28","14","2243","2249","10.1039/D5CE01195G","","x-ray","0.71073","MoKα","","0.1146","0.06","","","0.1173","0.1301","","","","","","1.024","","","","has coordinates","306366","2026-06-05","18:49:18",""
"7251668","14.9545","0.0003","16.3086","0.0005","17.4443","0.0005","64.113","0.003","79.651","0.002","84.287","0.002","3764.2","0.2","273.15","","273.15","","","","","","","","","6","P -1","-P 1","2","","","","- C152 H104 Dy2 F18 N40 O25 -","- C151.11 H105 Dy2 F18 N40 O25 -","- C151.11 H105 Dy2 F18 N40 O25 -","1","0.5","","Liu, Chen-Yang; Zhang, Qing-Yun; Zhan, Cai-Xia; Cao, Chen; Zhong, Fu-Hui; Zheng, Xiao-Yue; Peng, Yan; Liu, Sui-Jun; Hu, Zhao-Bo; Wen, He-Rui","Substituent effect on the synthesis and magnetic properties of carboxylic acid ligand coordinated dysprosium complexes","CrystEngComm","2026","28","14","2243","2249","10.1039/D5CE01195G","","","0.71073","MoKα","","0.0725","0.0557","","","0.1478","0.1577","","","","","","1.047","","","","has coordinates,has disorder","306366","2026-06-05","18:49:18",""
"7251669","11.3142","0.0012","11.9766","0.0009","12.1483","0.001","84.533","0.002","67.499","0.003","83.682","0.003","1509.1","0.2","273.15","","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C58 H72 Dy2 N8 O12 -","- C58 H72 Dy2 N8 O12 -","- C58 H72 Dy2 N8 O12 -","1","0.5","","Liu, Chen-Yang; Zhang, Qing-Yun; Zhan, Cai-Xia; Cao, Chen; Zhong, Fu-Hui; Zheng, Xiao-Yue; Peng, Yan; Liu, Sui-Jun; Hu, Zhao-Bo; Wen, He-Rui","Substituent effect on the synthesis and magnetic properties of carboxylic acid ligand coordinated dysprosium complexes","CrystEngComm","2026","28","14","2243","2249","10.1039/D5CE01195G","","","0.71073","MoKα","","0.0908","0.0663","","","0.1084","0.1136","","","","","","1.077","","","","has coordinates","306366","2026-06-05","18:49:18",""
"7251670","22.0681","0.0009","12.9657","0.0004","14.4992","0.0006","90","","105.465","0.004","90","","3998.4","0.3","99.97","0.13","99.97","0.13","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H26 F6 N14 Nd2 O16 -","- C32 H26 F6 N14 Nd2 O16 -","- C128 H104 F24 N56 Nd8 O64 -","4","0.5","","Gonnet, Lori; Lennox, Cameron B.; Borchers, Tristan H.; Askari, Mohammad; Wahrhaftig-Lewis, Alexander; Koenig, Stefan G.; Nagapudi, Karthik; Friščić, Tomislav","Establishing Parameters for Resonant Acoustic Mixing (RAM) Chemistry using Buchwald-Hartwig Amination as a Model","Green Chemistry","2026","","","","","10.1039/D6GC00784H","","x-ray","0.71073","MoKα","","0.0361","0.0303","","","0.0731","0.0747","","","","","","1.116","","","","has coordinates","304615","2026-02-25","00:42:45",""
"7251671","11.5881","0.0003","19.1012","0.0005","10.4299","0.0003","90","","94.813","0.002","90","","2300.48","0.11","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 F3 Lu N7 O9 -","- C17 H17 F3 Lu N7 O9 -","- C68 H68 F12 Lu4 N28 O36 -","4","1","","Gonnet, Lori; Lennox, Cameron B.; Borchers, Tristan H.; Askari, Mohammad; Wahrhaftig-Lewis, Alexander; Koenig, Stefan G.; Nagapudi, Karthik; Friščić, Tomislav","Establishing Parameters for Resonant Acoustic Mixing (RAM) Chemistry using Buchwald-Hartwig Amination as a Model","Green Chemistry","2026","","","","","10.1039/D6GC00784H","","x-ray","0.71073","MoKα","","0.0424","0.0352","","","0.0884","0.0927","","","","","","1.023","","","","has coordinates,has disorder","304615","2026-02-25","00:42:46",""
"7251672","14.9751","0.0005","6.1259","0.0002","12.9261","0.0004","90","","90","","90","","1185.79","0.07","193","","193","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H10 O3 S -","- C14 H10 O3 S -","- C56 H40 O12 S4 -","4","1","","Tong, Wanting; Chen, Yirui; Jin, Xinhang; Wu, Hangtao; Xu, Chaoran; Song, Dingguo; Ling, Fei; Zhong, Weihui","Highly enantioselective epoxidation of trisubstituted vinyl sulfones with H2O2 catalyzed by a bioinspired manganese catalyst","Green Chemistry","2026","28","11","5084","5092","10.1039/D5GC06431G","","x-ray","1.54178","CuKα","","0.0393","0.0389","","","0.1054","0.1058","","","","","","1.111","","","","has coordinates","305407","2026-04-05","12:19:35",""
"7251673","11.1244","0.0004","11.1286","0.0004","12.4964","0.0005","88.894","0.002","64.702","0.001","61.479","0.001","1195.24","0.08","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- C24 H60 Bi2 I9 N3 -","- C24 H60 Bi2 I9 N3 -","- C24 H60 Bi2 I9 N3 -","1","1","","Elgahami, Hanen; Ben Brahim, Khawla; Hajlaoui, Sondes; Alamri, Mona A.; Corbel, Gwenaël; Oueslati, Abderrazek","Synthesis and zero-dimensional structure of a new lead-free organic–inorganic[(C2H5)4N]3Bi2I9 compound: a promising material for optoelectronic devices","RSC Advances","2026","16","12","10785","10797","10.1039/D5RA09365A","","","0.71073","MoKα","","0.017","0.0165","","","0.0447","0.0454","","","","","","0.822","","","","has coordinates","304619","2026-02-25","02:31:46",""
"7251674","9.9028","0.0008","10.2282","0.0008","12.4585","0.001","84.732","0.003","85.951","0.003","65.261","0.003","1140.52","0.16","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H26 F N3 O3 S2 -","- C22 H26 F N3 O3 S2 -","- C44 H52 F2 N6 O6 S4 -","2","1","","Chandrakanth, Munugala; Okubo, Yoshikazu Honda; Arya, C. G.; Salunke, Deepak B.; Petrovsky, Nikolai; Banothu, Janardhan","Bisarylthiourea comprising cycloalkyl-thiophene-3-carboxylate derivatives as potential Human Toll-Like Receptor (TLR)2 Agonists: Design, Synthesis, and Structure-Activity Relationship Enabling the Switch from TLR2/1 to TLR2/6 Activation","RSC Medicinal Chemistry","2026","","","","","10.1039/D5MD01078K","","","0.71073","MoKα","","0.0612","0.0473","","","0.1132","0.1233","","","","","","1.036","","","","has coordinates,has disorder","304636","2026-02-26","03:16:37",""
"7251675","9.6883","0.0008","9.9058","0.0007","12.6922","0.001","84.153","0.003","82.661","0.003","68.325","0.003","1120.7","0.15","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H27 N3 O3 S2 -","- C22 H27 N3 O3 S2 -","- C44 H54 N6 O6 S4 -","2","1","","Chandrakanth, Munugala; Okubo, Yoshikazu Honda; Arya, C. G.; Salunke, Deepak B.; Petrovsky, Nikolai; Banothu, Janardhan","Bisarylthiourea comprising cycloalkyl-thiophene-3-carboxylate derivatives as potential Human Toll-Like Receptor (TLR)2 Agonists: Design, Synthesis, and Structure-Activity Relationship Enabling the Switch from TLR2/1 to TLR2/6 Activation","RSC Medicinal Chemistry","2026","","","","","10.1039/D5MD01078K","","","0.71073","MoKα","","0.0654","0.0531","","","0.1415","0.1555","","","","","","1.058","","","","has coordinates,has disorder","304636","2026-02-26","03:16:38",""
"7251678","11.873","0.006","13.411","0.007","16.403","0.008","110.382","0.015","92.879","0.015","93.482","0.017","2437","2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H30 F10 Ir N10 P -","- C50 H30 F10 Ir N10 P -","- C100 H60 F20 Ir2 N20 P2 -","2","1","","Khatua, Snehadrinarayan; Kashyap, Nimisha; Sen, Bhaskar; Baruah, Khanindram; Rabha, Monosh; Kalita, Dip Jyoti","A solvatochromic luminescence color switchable iridium(iii) complex of a click-generated ligand for nitroaromatic explosive detection","CrystEngComm","2026","28","15","2403","2414","10.1039/D5CE01192B","","","0.71073","MoKα","","0.1157","0.0573","","","0.1412","0.1729","","","","","","1.061","","","","has coordinates","305791","2026-05-05","09:04:34",""
"7251679","6.115","0.005","13.583","0.005","16.627","0.005","103.56","0.005","97.239","0.005","97.781","0.005","1312.2","1.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H20 Cl2 N8 -","- C29 H20 Cl2 N8 -","- C58 H40 Cl4 N16 -","2","1","","Khatua, Snehadrinarayan; Kashyap, Nimisha; Sen, Bhaskar; Baruah, Khanindram; Rabha, Monosh; Kalita, Dip Jyoti","A solvatochromic luminescence color switchable iridium(iii) complex of a click-generated ligand for nitroaromatic explosive detection","CrystEngComm","2026","28","15","2403","2414","10.1039/D5CE01192B","","","0.71073","MoKα","","0.2469","0.1374","","","0.346","0.4349","","","","","","1.139","","","","has coordinates","305791","2026-05-05","09:04:34",""
"7251680","7.418","0.0004","10.464","0.0005","13.3907","0.0006","107.421","0.001","103.868","0.001","94.011","0.002","951.49","0.08","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H32 Mn N10 O7 -","- C40 H32 Mn N10 O7 -","- C40 H32 Mn N10 O7 -","1","0.5","","Kumar, Rakesh; Maiti, Anupam; Mahato, Bidyadhar; Ghoshal, Debajyoti","Luminescence property modulation through the structural modification of coordination polymers for ratiometric detection of mercuric ions in aqueous media","CrystEngComm","2026","28","15","2382","2392","10.1039/D5CE01203A","","","0.71073","MoKα","","0.0431","0.0392","","","0.1081","0.1113","","","","","","1.094","","","","has coordinates,has disorder","305794","2026-05-05","09:04:43",""
"7251681","7.4337","0.0002","10.3464","0.0003","13.1723","0.0004","107.531","0.001","103.41","0.001","92.959","0.001","931.62","0.05","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H31 Co N10 O6.5 -","- C40 H31 Co N10 O6.5 -","- C40 H31 Co N10 O6.5 -","1","0.5","","Kumar, Rakesh; Maiti, Anupam; Mahato, Bidyadhar; Ghoshal, Debajyoti","Luminescence property modulation through the structural modification of coordination polymers for ratiometric detection of mercuric ions in aqueous media","CrystEngComm","2026","28","15","2382","2392","10.1039/D5CE01203A","","","0.71073","MoKα","","0.0463","0.0392","","","0.0869","0.0907","","","","","","1.095","","","","has coordinates","305794","2026-05-05","09:04:43",""
"7251682","7.5222","0.0003","10.5057","0.0005","13.4534","0.0006","105.481","0.001","104.538","0.001","93.879","0.001","981.4","0.08","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H36 Mn N6 O7 -","- C44 H36 Mn N6 O7 -","- C44 H36 Mn N6 O7 -","1","0.5","","Kumar, Rakesh; Maiti, Anupam; Mahato, Bidyadhar; Ghoshal, Debajyoti","Luminescence property modulation through the structural modification of coordination polymers for ratiometric detection of mercuric ions in aqueous media","CrystEngComm","2026","28","15","2382","2392","10.1039/D5CE01203A","","","0.71073","MoKα","","0.0846","0.0698","","","0.1272","0.1318","","","","","","1.259","","","","has coordinates,has disorder","305794","2026-05-05","09:04:43",""
"7251683","6.5396","0.0002","12.7039","0.0005","14.4697","0.0004","104.639","0.003","93.972","0.002","101.116","0.003","1132.43","0.07","200","0.01","200","0.01","","","","","","","","5","P -1","-P 1","2","","DDAD-13","","- C20 H24 Mo N4 O8 -","- C20 H24 Mo N4 O8 -","- C40 H48 Mo2 N8 O16 -","2","1","","De, Amit Kumar; Shaym, Tandrim; Ghosh, Subhasis; Dogra, Sunanda; Roy Choudhury, Angshuman; Das, Debasis","A new dioxo-molybdenum complex derived from an amide-based imine derivative for the fluorescence recognition of Zr(iv) with phosphatase activity","RSC Advances","2026","16","12","11130","11136","10.1039/D5RA04804D","","x-ray","0.71073","MoKα","","0.0399","0.0356","","","0.0817","0.0853","","","","","","1.135","","","","has coordinates","304666","2026-02-28","04:15:22",""
"7251684","8.9065","0.0015","17.848","0.004","11.126","0.002","90","","91.918","0.006","90","","1767.6","0.6","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","JP-C2-71-B2","","- C23 H18 N2 O2 -","- C23 H18 N2 O2 -","- C92 H72 N8 O8 -","4","1","","Prajapati, Jayprakash; Chatterjee, Sourav","2-Pyridone-assisted palladium-catalyzed regioselective arylation of naphthamides","RSC Advances","2026","16","14","12180","12185","10.1039/D6RA00358C","","","0.71073","MoKα","","0.0573","0.0383","","","0.086","0.1023","","","","","","1.071","","","","has coordinates","304729","2026-03-04","03:56:14",""
"7251685","16.923","0.002","17.004","0.002","19.383","0.002","90","","90","","90","","5577.6","1.1","118","","118","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","SNM_MKK_C2_125_B1","","- C31 H19 Br F6 N2 O2 -","- C31 H19 Br F6 N2 O2 -","- C248 H152 Br8 F48 N16 O16 -","8","1","","Prajapati, Jayprakash; Chatterjee, Sourav","2-Pyridone-assisted palladium-catalyzed regioselective arylation of naphthamides","RSC Advances","2026","16","14","12180","12185","10.1039/D6RA00358C","","","0.71073","MoKα","","0.105","0.077","","","0.2191","0.2474","","","","","","1.078","","","","has coordinates","304729","2026-03-04","03:56:14",""
"7251686","20.2296","0.0018","5.0967","0.0004","21.5356","0.0018","90","","98.318","0.008","90","","2197.1","0.3","140","2","140","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H18 Mn N2 O12 S -","- C16 H18 Mn N2 O12 S -","- C64 H72 Mn4 N8 O48 S4 -","4","0.5","","Maldonado, Igor A. V.; Fernandes, William S.; Cardozo, Thiago M.; Vaz, Maria G. F.; Cassaro, Rafael A. Allão","Single molecule magnet behavior in bis-oxamate one-dimensional coordination polymers: the effect of magnetic dilution","CrystEngComm","2026","28","8","1412","1421","10.1039/D5CE01042J","","","1.54184","CuKα","","0.0899","0.0659","","","0.1737","0.1919","","","","","","1.088","","","","has coordinates,has disorder","304730","2026-03-04","06:45:46",""
"7251687","19.8167","0.0017","5.0621","0.0005","21.336","0.003","90","","98.625","0.012","90","","2116.1","0.4","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C16 H20 Co0.87 Cu0.13 N2 O13 S -","- C16 H20 Co0.87 Cu0.13 N2 O13 S -","- C64 H80 Co3.48 Cu0.52 N8 O52 S4 -","4","0.5","","Maldonado, Igor A. V.; Fernandes, William S.; Cardozo, Thiago M.; Vaz, Maria G. F.; Cassaro, Rafael A. Allão","Single molecule magnet behavior in bis-oxamate one-dimensional coordination polymers: the effect of magnetic dilution","CrystEngComm","2026","28","8","1412","1421","10.1039/D5CE01042J","","","0.82654","synchrotron","","0.1457","0.0948","","","0.2427","0.2727","","","","","","1.03","","","","has coordinates,has disorder","304730","2026-03-04","06:45:47",""
"7251688","15.469","0.002","17.297","0.002","16.518","0.002","90","","101.616","0.002","90","","4329.2","0.9","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","Di-methylated beta-CD progesterone clathrate hydrate","heptakis(2,6-di-O-methyl)-β-cyclodextrin pregn-4-ene-3,20-dione clathrate hydrate","","- C77 H130.2 O38.1 -","- C77 H128 O38.125 -","- C154 H256 O76.25 -","2","1","","Vicatos, Alexios I.; Hoossen, Zakiena; Edmonds-Smith, Cesarina; Caira, Mino R.","Dimethylated β-cyclodextrin inclusion complexes containing the guest steroid hormones progesterone and 17β-estradiol: syntheses, crystal structures, thermal analyses and steroid solubility enhancements","CrystEngComm","2026","28","5","1019","1029","10.1039/D5CE01106J","","","0.71073","MoKα","","0.0947","0.0621","","","0.1555","0.1746","","","","","","1.019","","","","has coordinates,has disorder","304731","2026-03-04","06:47:49",""
"7251689","14.1388","0.0017","30.448","0.004","21.052","0.003","90","","107.687","0.002","90","","8634","2","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","Di-methylated beta-CD beta-estradiol clathrate hydrate","heptakis(2,6-di-O-methyl)-beta-cyclodextrin (17beta)- estra-1,3,5(10)-triene-3,17-diol clathrate hydrate","","- C148.4 H268 O85.6 -","- C148.34 H244.68 O85.872 -","- C296.68 H489.36 O171.744 -","2","1","","Vicatos, Alexios I.; Hoossen, Zakiena; Edmonds-Smith, Cesarina; Caira, Mino R.","Dimethylated β-cyclodextrin inclusion complexes containing the guest steroid hormones progesterone and 17β-estradiol: syntheses, crystal structures, thermal analyses and steroid solubility enhancements","CrystEngComm","2026","28","5","1019","1029","10.1039/D5CE01106J","","","0.71073","MoKα","","0.0975","0.068","","","0.1693","0.1879","","","","","","1.017","","","","has coordinates,has disorder","304731","2026-03-04","06:47:49",""
"7251690","10.333","0.0002","10.8804","0.0002","12.1379","0.0003","90","","106.579","0.002","90","","1307.9","0.05","240","2","240","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C18 H23 B2 F8 Ir N6 O3 -","- C18 H17 B2 F8 Ir N6 O3 -","- C36 H34 B4 F16 Ir2 N12 O6 -","2","1","","Richter, Marvin L.; Peris, Eduardo; Gonell, Sergio","Impact of linking groups in chelating bis-carbene iridium catalysts for transfer hydrogenation of inorganic carbonates with glycerol","Green Chemistry","2026","28","5","2385","2394","10.1039/D5GC05119C","","x-ray","1.54184","CuKα","","0.0343","0.0329","","","0.0879","0.0898","","","","","","1.04","","","","has coordinates","304773","2026-03-04","15:13:28",""
"7251691","9.6538","0.0003","27.3149","0.0008","10.228","0.0003","90","","90.034","0.003","90","","2697.05","0.14","149.9","0.3","149.9","0.3","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H26 F6 Ir N4 O4 P -","- C22 H26 F6 Ir N4 O4 P -","- C88 H104 F24 Ir4 N16 O16 P4 -","4","1","","Richter, Marvin L.; Peris, Eduardo; Gonell, Sergio","Impact of linking groups in chelating bis-carbene iridium catalysts for transfer hydrogenation of inorganic carbonates with glycerol","Green Chemistry","2026","28","5","2385","2394","10.1039/D5GC05119C","","x-ray","1.54184","CuKα","","0.0354","0.034","","","0.0899","0.0923","","","","","","1.061","","","","has coordinates","304773","2026-03-04","15:13:29",""
"7251692","15.8821","0.0015","10.1194","0.0009","24.188","0.002","90","","101.932","0.004","90","","3803.4","0.6","100","","100","","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C19.75 H32.6 Br Ir N4 O2 -","- C12 H14 Br Ir N4 O2 -","- C96 H112 Br8 Ir8 N32 O16 -","8","2","","Richter, Marvin L.; Peris, Eduardo; Gonell, Sergio","Impact of linking groups in chelating bis-carbene iridium catalysts for transfer hydrogenation of inorganic carbonates with glycerol","Green Chemistry","2026","28","5","2385","2394","10.1039/D5GC05119C","","","0.71073","MoKα","","0.0711","0.0565","","","0.1671","0.1772","","","","","","1.044","","","","has coordinates,has disorder","304773","2026-03-04","15:13:29",""
"7251693","10.512","0.0002","11.1768","0.0002","15.6769","0.0002","90","","92.894","0.002","90","","1839.54","0.05","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H20 N2 O -","- C25 H20 N2 O -","- C100 H80 N8 O4 -","4","1","","Gore, Babasaheb Sopan; Chen, Hsing-Yin; Wang, Jeh-Jeng","Green and sustainable dearomative cycloaddition of arenes via visible-light energy transfer catalysis: an atom-economical synthesis of N-heterocyclic skeletons","Green Chemistry","2026","28","5","2475","2484","10.1039/D5GC04174K","","x-ray","0.71073","MoKα","","0.0383","0.0335","","","0.08","0.0827","","","","","","1.066","","","","has coordinates","304774","2026-03-04","15:14:09",""
"7251694","10.3638","0.0003","11.3229","0.0003","16.6651","0.0005","90","","93.655","0.003","90","","1951.64","0.1","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 N2 O -","- C26 H22 N2 O -","- C104 H88 N8 O4 -","4","1","","Gore, Babasaheb Sopan; Chen, Hsing-Yin; Wang, Jeh-Jeng","Green and sustainable dearomative cycloaddition of arenes via visible-light energy transfer catalysis: an atom-economical synthesis of N-heterocyclic skeletons","Green Chemistry","2026","28","5","2475","2484","10.1039/D5GC04174K","","x-ray","0.71073","MoKα","","0.0551","0.0437","","","0.1146","0.1206","","","","","","1.097","","","","has coordinates","304774","2026-03-04","15:14:09",""
"7251695","10.3481","0.0003","11.447","0.0003","15.758","0.0004","90","","92.878","0.002","90","","1864.25","0.09","130","2","130","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H20 N2 O2 -","- C25 H20 N2 O2 -","- C100 H80 N8 O8 -","4","1","","Gore, Babasaheb Sopan; Chen, Hsing-Yin; Wang, Jeh-Jeng","Green and sustainable dearomative cycloaddition of arenes via visible-light energy transfer catalysis: an atom-economical synthesis of N-heterocyclic skeletons","Green Chemistry","2026","28","5","2475","2484","10.1039/D5GC04174K","","x-ray","0.71073","MoKα","","0.0446","0.0392","","","0.1004","0.1036","","","","","","1.09","","","","has coordinates","304774","2026-03-04","15:14:09",""
"7251696","10.5513","0.0006","10.523","0.0006","22.0654","0.0012","90","","99.639","0.002","90","","2415.4","0.2","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H24 N2 O -","- C27 H24 N2 O -","- C108 H96 N8 O4 -","4","1","","Gore, Babasaheb Sopan; Chen, Hsing-Yin; Wang, Jeh-Jeng","Green and sustainable dearomative cycloaddition of arenes via visible-light energy transfer catalysis: an atom-economical synthesis of N-heterocyclic skeletons","Green Chemistry","2026","28","5","2475","2484","10.1039/D5GC04174K","","","0.71073","MoKα","","0.062","0.0568","","","0.1604","0.168","","","","","","1.016","","","","has coordinates","304774","2026-03-04","15:14:09",""
"7251697","12.713","0.0003","9.9112","0.0003","17.8424","0.0004","90","","90","","90","","2248.16","0.1","293","","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1","","- C12 H10 I N O -","- C12 H10 I N O -","- C96 H80 I8 N8 O8 -","8","1","","Tang, Yan; Ponnam, Devendar; Ma, Zhifeng; Tao, Xiong; Sun, Long; Yang, Hekun; Chen, Jingchao; Fan, Baomin","Visible light-mediated stereoselective haloalkylation of bicyclic alkenes","Green Chemistry","2026","28","5","2422","2428","10.1039/D5GC05217C","","x-ray","0.71073","MoKα","","0.0574","0.0344","","","0.0715","0.0823","","","","","","1.037","","","","has coordinates","304775","2026-03-04","15:14:33",""
"7251698","13.9738","0.0008","8.8365","0.0004","9.5185","0.0005","90","","101.071","0.006","90","","1153.47","0.11","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1","","- C12 H10 I N O -","- C12 H10 I N O -","- C48 H40 I4 N4 O4 -","4","1","","Tang, Yan; Ponnam, Devendar; Ma, Zhifeng; Tao, Xiong; Sun, Long; Yang, Hekun; Chen, Jingchao; Fan, Baomin","Visible light-mediated stereoselective haloalkylation of bicyclic alkenes","Green Chemistry","2026","28","5","2422","2428","10.1039/D5GC05217C","","x-ray","0.71073","MoKα","","0.0471","0.0356","","","0.0774","0.0844","","","","","","1.071","","","","has coordinates","304775","2026-03-04","15:14:33",""
"7251699","6.4582","0.0007","12.2794","0.001","22.668","0.002","90","","90","","90","","1797.6","0.3","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H22 O S -","- C23 H22 O S -","- C92 H88 O4 S4 -","4","1","","Xu, Zhongrong; Zhao, Ting; Jiang, Wenxin; Ren, Yanwei; Qi, Chaorong; Jiang, Huanfeng","Dual silane-promoted palladium catalysis: synthesis of phenols from carbon dioxide and 1,4-enynes","Green Chemistry","2026","28","5","2288","2293","10.1039/D5GC05578D","","","0.71073","MoKα","","0.117","0.0704","","","0.131","0.1552","","","","","","1.061","","","","has coordinates","304776","2026-03-04","15:14:55",""
"7251700","19.4171","0.0001","19.4171","0.0001","27.6192","0.0003","90","","90","","90","","10413.1","0.14","99.99","0.1","99.99","0.1","","","","","","","","5","I 4/m","-I 4","87","","","","- C18 H15.2 Er N3 O7.85 -","- C18 H15.2 Er N3 O7.85 -","- C288 H243.2 Er16 N48 O125.6 -","16","1","","Chen, Jie; Kong, Lingfang; Zhang, Qinggang; Shi, Wenjing; Zhang, Shiyong; Qu, Hongen; Xu, Guohai; Zhou, Zhonggao; Chen, Yiwang","Constructing highly reactive Pd nanoparticles with π bonds in imidazolium-based metal–organic frameworks for chemoselective CO2 multicomponent transformation","Green Chemistry","2026","28","3","1691","1703","10.1039/D5GC04311E","","","1.54178","CuKα","","0.0605","0.0581","","","0.1503","0.1515","","","","","","1.126","","","","has coordinates,has disorder","304778","2026-03-04","15:16:04",""
"7251701","7.7577","0.0002","9.9027","0.0003","21.276","0.0005","90","","93.666","0.002","90","","1631.12","0.08","100","0.2","100","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H20 N2 O2 -","- C21 H20 N2 O2 -","- C84 H80 N8 O8 -","4","1","","Li, Ning-Bo; Liu, Yun-Chang; Liu, Lun-Hang; Wei, Wan-Yu; Zhang, Di; He, Wei-Min; Jia, Hong-Yan; Bian, Wei","Visible-light-induced annulation of 4-aminocoumarins to tetrahydropyrimidine-fused coumarins and evaluation of their antitumor activities","Green Chemistry","2026","28","3","1601","1606","10.1039/D5GC05261K","","x-ray","1.54184","CuKα","","0.1078","0.0846","","","0.1799","0.2437","","","","","","2.225","","","","has coordinates","304779","2026-03-04","15:16:19",""
"7251702","19.2799","0.0014","21.1893","0.0016","24.3397","0.0017","94.007","0.004","95.264","0.003","110.225","0.003","9235.9","1.2","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C131 H180 Br F6 N18 O18 S2 -","- C131 H180 Br F6 N18 O18 S2 -","- C262 H360 Br2 F12 N36 O36 S4 -","2","1","","Fang, Yicheng; Wei, Huiqi; Li, Caixia; Liu, Gen; Wang, Fan; Wu, Lamei; Huang, Zhengxi; Chen, Xi; Zhang, Zhan","Guest-induced diverse self-assemblies of an oligopyrrole","CrystEngComm","2026","28","13","2023","2028","10.1039/D5CE01204J","","","1.34139","GaKα","","0.108","0.0791","","","0.2442","0.2649","","","","","","1.071","","","","has coordinates,has disorder","305341","2026-04-05","11:58:29",""
"7251703","17.5583","0.0016","17.8234","0.0016","20.47","0.0017","95.95","0.004","92.33","0.004","102.751","0.004","6201.1","1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H55 F3 N6 O11 S -","- C43 H55 F3 N6 O11 S -","- C172 H220 F12 N24 O44 S4 -","4","2","","Fang, Yicheng; Wei, Huiqi; Li, Caixia; Liu, Gen; Wang, Fan; Wu, Lamei; Huang, Zhengxi; Chen, Xi; Zhang, Zhan","Guest-induced diverse self-assemblies of an oligopyrrole","CrystEngComm","2026","28","13","2023","2028","10.1039/D5CE01204J","","","1.34139","GaKα","","0.3666","0.3156","","","0.6573","0.6913","","","","","","2.839","","","","has coordinates","305341","2026-04-05","11:58:29",""
"7251704","15.482","0.004","17.588","0.004","23.232","0.006","73.27","0.011","74.936","0.01","77.737","0.01","5785","3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C48 H66 F3 N6 O9 S -","- C48 H66 F3 N6 O9 S -","- C192 H264 F12 N24 O36 S4 -","4","2","","Fang, Yicheng; Wei, Huiqi; Li, Caixia; Liu, Gen; Wang, Fan; Wu, Lamei; Huang, Zhengxi; Chen, Xi; Zhang, Zhan","Guest-induced diverse self-assemblies of an oligopyrrole","CrystEngComm","2026","28","13","2023","2028","10.1039/D5CE01204J","","x-ray","1.34139","Synchrotron","GaKα","0.1186","0.1011","","","0.2763","0.2904","","","","","","1.11","","","","has coordinates,has disorder","305341","2026-04-05","11:58:29",""
"7251705","18.9098","0.0011","20.9683","0.0011","23.7373","0.0015","96.441","0.002","97.288","0.003","112.541","0.002","8488.9","0.9","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C131 H180 F6 I N18 O18 S2 -","- C131 H180 F6 I N18 O18 S2 -","- C262 H360 F12 I2 N36 O36 S4 -","2","1","","Fang, Yicheng; Wei, Huiqi; Li, Caixia; Liu, Gen; Wang, Fan; Wu, Lamei; Huang, Zhengxi; Chen, Xi; Zhang, Zhan","Guest-induced diverse self-assemblies of an oligopyrrole","CrystEngComm","2026","28","13","2023","2028","10.1039/D5CE01204J","","","1.34139","GaKα","","0.0995","0.0773","","","0.2087","0.2246","","","","","","1.042","","","","has coordinates,has disorder","305341","2026-04-05","11:58:29",""
"7251706","11.0234","0.0007","14.6125","0.001","15.6272","0.001","107.66","0.003","97.768","0.003","90.951","0.003","2372.2","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H63 F3 N6 O8 S -","- C45 H63 F3 N6 O8 S -","- C90 H126 F6 N12 O16 S2 -","2","1","","Fang, Yicheng; Wei, Huiqi; Li, Caixia; Liu, Gen; Wang, Fan; Wu, Lamei; Huang, Zhengxi; Chen, Xi; Zhang, Zhan","Guest-induced diverse self-assemblies of an oligopyrrole","CrystEngComm","2026","28","13","2023","2028","10.1039/D5CE01204J","","","1.34139","GaKα","","0.1164","0.1049","","","0.2529","0.2573","","","","","","1.192","","","","has coordinates,has disorder","305341","2026-04-05","11:58:29",""
"7251707","31.191","0.003","13.3642","0.0013","42.964","0.005","90","","110.582","0.004","90","","16766","3","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C148 H217 F9 N18 O25 S3 -","- C148 H217 F9 N18 O25 S3 -","- C592 H868 F36 N72 O100 S12 -","4","1","","Fang, Yicheng; Wei, Huiqi; Li, Caixia; Liu, Gen; Wang, Fan; Wu, Lamei; Huang, Zhengxi; Chen, Xi; Zhang, Zhan","Guest-induced diverse self-assemblies of an oligopyrrole","CrystEngComm","2026","28","13","2023","2028","10.1039/D5CE01204J","","x-ray","1.34139","Synchrotron","GaKα","0.1397","0.0878","","","0.2469","0.2874","","","","","","1.035","","","","has coordinates,has disorder","305341","2026-04-05","11:58:29",""
"7251708","9.2073","0.0004","9.2073","0.0004","21.4213","0.0008","90","","90","","120","","1572.68","0.11","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C2 H30 Ni O18 S2 -","- C2 H29.9994 Ni O18 S2 -","- C6 H89.9982 Ni3 O54 S6 -","3","0.166667","","Derison, Femke; Jia, Xu; Van Meervelt, Luc; Binnemans, Koen; Lommelen, Rayco","Phase equilibria and thermodynamic properties of the nickel(II) methanesulfonate-methanesulfonic acid-water system.","Physical chemistry chemical physics : PCCP","2026","28","5","3401","3414","10.1039/d5cp03992d","","","0.71073","MoKα","","0.0299","0.0259","","","0.0614","0.0635","","","","","","1.095","","","","has coordinates,has disorder","304828","2026-03-05","03:43:10",""
"7251709","6.0405","0.0001","6.9516","0.0001","17.9256","0.0003","98.474","0.001","92.272","0.001","97.528","0.001","736.75","0.02","150","2","150","1","","","","","","","","4","P -1","-P 1","2","","2-(triimidazo[1,2-a:1',2'-c:1'',2''-e][1,3,5]triazin-3-yl)pyridin-1-ium","","- C14 H12 N8 O4 -","- C14 H12 N8 O4 -","- C28 H24 N16 O8 -","2","1","","Malpicci, Daniele; Lucenti, Elena; Zecchinello, Luca; Marinotto, Daniele; Cariati, Elena; Forni, Alessandra","Intra- and intermolecular H-bonds and π-π stacking driven organization of a triazine-based room temperature phosphorescent emitter.","Physical chemistry chemical physics : PCCP","2026","28","4","3016","3022","10.1039/d5cp03691g","","x-ray","1.54184","CuKα","","0.0457","0.0421","","","0.1123","0.1153","","","","","","1.018","","","","has coordinates","304829","2026-03-05","03:43:31",""
"7251710","6.056","0.0001","7.0511","0.0002","17.9759","0.0004","97.546","0.002","92.942","0.002","97.561","0.002","752.49","0.03","299","1","299","1","","","","","","","","4","P -1","-P 1","2","","2-(triimidazo[1,2-a:1',2'-c:1'',2''-e][1,3,5]triazin-3-yl)pyridin-1-ium","","- C14 H12 N8 O4 -","- C14 H12 N8 O4 -","- C28 H24 N16 O8 -","2","1","","Malpicci, Daniele; Lucenti, Elena; Zecchinello, Luca; Marinotto, Daniele; Cariati, Elena; Forni, Alessandra","Intra- and intermolecular H-bonds and π-π stacking driven organization of a triazine-based room temperature phosphorescent emitter.","Physical chemistry chemical physics : PCCP","2026","28","4","3016","3022","10.1039/d5cp03691g","","x-ray","1.54184","CuKα","","0.054","0.0489","","","0.139","0.1445","","","","","","1.044","","","","has coordinates,has disorder","304829","2026-03-05","03:43:32",""
"7251711","7.8829","0.0003","10.3305","0.0005","11.6459","0.0006","104.498","0.004","101.414","0.004","96.313","0.004","887.21","0.08","93","","93","","","","","","","","","4","P -1","-P 1","2","Bis(benzimidazolyl)hydrindacene","Benzimidazolyl_Hydrindacene","","- C40 H46 N4 O10 -","- C40 H46 N4 O10 -","- C40 H46 N4 O10 -","1","0.5","","Kataoka, Takayuki; Tsuchido, Yoshitaka; Kawai, Hidetoshi","Turn-off fluorescence sensing of benzenediols <i>via</i> guest-induced π-conjugation switching in bisimidazole-based hydrindacene allosteric receptors.","Physical chemistry chemical physics : PCCP","2026","28","3","2608","2614","10.1039/d5cp04027b","","x-ray","1.54184","CuKα","","0.0937","0.085","","","0.2299","0.2396","","","","","","1.022","","","","has coordinates","304830","2026-03-05","03:44:14",""
"7251712","7.6813","0.0012","10.6712","0.0017","14.613","0.002","111.251","0.005","101.585","0.005","94.648","0.005","1078","0.3","90","","90","","","","","","","","","4","P -1","-P 1","2","","Bisnaphthoimidazole-Based Hydrindacene Receptor","","- C48 H50 N4 O10 -","- C48 H50 N4 O10 -","- C48 H50 N4 O10 -","1","0.5","","Kataoka, Takayuki; Tsuchido, Yoshitaka; Kawai, Hidetoshi","Turn-off fluorescence sensing of benzenediols <i>via</i> guest-induced π-conjugation switching in bisimidazole-based hydrindacene allosteric receptors.","Physical chemistry chemical physics : PCCP","2026","28","3","2608","2614","10.1039/d5cp04027b","","","0.71073","MoKα","","0.1535","0.1084","","","0.2716","0.2945","","","","","","1.1","","","","has coordinates","304830","2026-03-05","03:44:14",""
"7251713","5.8931","0.0005","9.0671","0.0007","34.256","0.003","90","","90","","90","","1830.4","0.3","304","2","304","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","INORGANIC","","","- C25 H19 Fe N -","- C25 H19 Fe N -","- C100 H76 Fe4 N4 -","4","1","","Chithra, Vadakkalur Sampath; Palanisami, Nallasamy","Enhanced SHG efficiencies in V-shaped ferrocene-appended pyrimidinium salt using a salt methodology with theoretical insights.","Physical chemistry chemical physics : PCCP","2026","28","3","2389","2395","10.1039/d5cp03646a","","","0.71073","MoKα","","0.095","0.0465","","","0.0862","0.1066","","","","","","1.057","","","","has coordinates","304831","2026-03-05","03:44:28",""
"7251714","18.3152","0.0006","23.5978","0.0006","9.6171","0.0003","90","","94.755","0.002","90","","4142.2","0.2","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H48 B N3 O2 -","- C54 H48 B N3 O2 -","- C216 H192 B4 N12 O8 -","4","1","","Li, Jie; Cheng, Zhang-Li; Zhang, Shu-Qi; Wang, Yue; Wang, Hui; Zhou, Jie-Yu; Gao, Wen; Qu, Ling-Wei; Zhu, Zhe-Yu; Yu, Jia; Ye, Jun; Wang, Kai","Delicate heterocyclic π-extension in MR-TADF emitters: balancing <i>k</i><sub>RISC</sub> enhancement and emission narrowing.","Physical chemistry chemical physics : PCCP","2026","28","3","2049","2053","10.1039/d5cp04299b","","","1.54178","CuKα","","0.1472","0.0983","","","0.2453","0.2767","","","","","","1.042","","","","has coordinates,has disorder","304832","2026-03-05","03:45:12",""
"7251715","26.5336","0.0007","11.2734","0.0003","29.7794","0.0008","90","","90","","90","","8907.7","0.4","170","","170","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C57 H54 B2 N2 O2 -","- C57 H54 B2 N2 O2 -","- C456 H432 B16 N16 O16 -","8","1","","Li, Jie; Cheng, Zhang-Li; Zhang, Shu-Qi; Wang, Yue; Wang, Hui; Zhou, Jie-Yu; Gao, Wen; Qu, Ling-Wei; Zhu, Zhe-Yu; Yu, Jia; Ye, Jun; Wang, Kai","Delicate heterocyclic π-extension in MR-TADF emitters: balancing <i>k</i><sub>RISC</sub> enhancement and emission narrowing.","Physical chemistry chemical physics : PCCP","2026","28","3","2049","2053","10.1039/d5cp04299b","","","1.54178","CuKα","","0.1489","0.0921","","","0.184","0.2128","","","","","","1.033","","","","has coordinates","304832","2026-03-05","03:45:12",""
"7251716","15.2303","0.0011","9.0769","0.0005","17.0558","0.0013","90","","113.675","0.009","90","","2159.4","0.3","99.99","0.1","99.99","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H20 O P2 S2 -","- C24 H20 O P2 S2 -","- C96 H80 O4 P8 S8 -","4","0.5","","Zhu, Longzhi; Xie, Shuangjiao; Yang, Hongbo; Hong, Yingle; Chen, Lin; Luo, Weiwei; Jin, Sha; Liu, Lixin; Xiong, Biquan","Catalyst-free synthesis of phosphinochalcogenoic anhydrides via the oxygen–chalcogen exchange with elemental sulfur or selenium","Green Chemistry","2026","28","13","5848","5856","10.1039/D6GC00879H","","x-ray","0.71073","MoKα","","0.0346","0.0317","","","0.0861","0.0883","","","","","","1.093","","","","has coordinates","305404","2026-04-05","12:19:04",""
"7251717","10.20299","0.00015","13.2426","0.0002","16.7176","0.0003","90","","91.5224","0.0014","90","","2257.99","0.06","120","0.1","120","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H21 O2 P Se -","- C28 H21 O2 P Se -","- C112 H84 O8 P4 Se4 -","4","1","","Zhu, Longzhi; Xie, Shuangjiao; Yang, Hongbo; Hong, Yingle; Chen, Lin; Luo, Weiwei; Jin, Sha; Liu, Lixin; Xiong, Biquan","Catalyst-free synthesis of phosphinochalcogenoic anhydrides via the oxygen–chalcogen exchange with elemental sulfur or selenium","Green Chemistry","2026","28","13","5848","5856","10.1039/D6GC00879H","","x-ray","1.54184","CuKα","","0.0387","0.0303","","","0.0708","0.0738","","","","","","1.051","","","","has coordinates","305404","2026-04-05","12:19:04",""
"7251718","32.317","0.002","5.8385","0.0004","7.1851","0.0005","90","","90.826","0.003","90","","1355.56","0.16","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","YM314","","- C17 H12 F N O3 -","- C17 H12 F N O3 -","- C68 H48 F4 N4 O12 -","4","1","","Massad, Younes; Zych, Arkadiusz; Duttine, Mathieu; Bassani, Dario M.; Robert, Frédéric; Landais, Yannick","H-bond mediated photocatalyzed oxidation of oximes under visible light and air. A general route toward dioxazoles, oxadiazoles and isoxazoles","Green Chemistry","2026","28","12","5482","5492","10.1039/D5GC06840A","","","0.71073","MoKα","","0.105","0.0545","","","0.1186","0.1398","","","","","","1.096","","","","has coordinates","305408","2026-04-05","12:19:38",""
"7251719","7.7206","0.0005","9.3225","0.0006","10.2659","0.0007","92.407","0.002","99.423","0.002","91.424","0.002","727.9","0.08","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","YM240","","- C16 H9 F3 N2 O2 -","- C16 H9 F3 N2 O2 -","- C32 H18 F6 N4 O4 -","2","1","","Massad, Younes; Zych, Arkadiusz; Duttine, Mathieu; Bassani, Dario M.; Robert, Frédéric; Landais, Yannick","H-bond mediated photocatalyzed oxidation of oximes under visible light and air. A general route toward dioxazoles, oxadiazoles and isoxazoles","Green Chemistry","2026","28","12","5482","5492","10.1039/D5GC06840A","","","0.71073","MoKα","","0.0502","0.0324","","","0.0746","0.0847","","","","","","1.001","","","","has coordinates","305408","2026-04-05","12:19:38",""
"7251720","6.703","0.0004","9.0452","0.0006","15.009","0.0009","90","","93.234","0.002","90","","908.55","0.1","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H11 N O2 -","- C10 H11 N O2 -","- C40 H44 N4 O8 -","4","1","","Zhao, Zhen-Zhu; Zhang, Fei; Zhao, Qi-Lu; Zhao, Jie; He, Hai-Rong; Liu, Hai-Jiao; Liu, Ke-Ke; Chen, Hui","Unusual prenylated phenols with antioxidant and immunosuppressive activities from the edible mushroom Lentinula edodes","RSC Advances","2026","16","14","12295","12301","10.1039/D5RA09796G","","","1.54178","CuKα","","0.0407","0.0397","","","0.1095","0.1107","","","","","","1.056","","","","has coordinates","304837","2026-03-05","07:15:24",""
"7251727","10.4468","0.0016","12.9783","0.0011","19.993","0.003","90","","90","","90","","2710.7","0.6","301","","301","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H23 N3 O2 S -","- C21 H23 N3 O2 S -","- C84 H92 N12 O8 S4 -","4","1","","Yan, Si; Xu, Mengwei; Liu, Yan; Du, Ziwei; Zhang, Guangshuai; Liu, Zishu; Xiao, Jin; Guo, Xiaoqian; Liao, Gang; Min, Qing; Xie, Baocheng; Qin, Shuanglin","K<sup>+</sup>/Cu<sup>2+</sup> Co-chelated diastereoselective Friedel-Crafts reaction with chiral <i>N</i>-sulfinyl ketimines for the facile synthesis of chiral bisindoles and their cytotoxicity.","RSC advances","2026","16","8","7337","7343","10.1039/d5ra09219a","","","1.54184","CuKα","","0.0729","0.0597","","","0.1739","0.1976","","","","","","1.076","","","","has coordinates","304841","2026-03-05","07:39:07",""
"7251728","14.445","0.0001","14.8842","0.0001","23.3992","0.0001","90","","90","","90","","5030.88","0.05","100","0.1","100","0.1","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C24 H26 Cl F6 N2 O2 P Ru -","- C24 H26 Cl F6 N2 O2 P Ru -","- C192 H208 Cl8 F48 N16 O16 P8 Ru8 -","8","1","","Hacker, Ryan M.; Smith, Jacob J.; Platt, David C.; Loughlin, Maria I.; Grabowski, Emma N.; Brennessel, William W.; Jones, Marjorie A.; Webb, Michael I.","A Ru(ii)-arene complex with promising anti-Aβ activity.","RSC advances","2026","16","8","7056","7065","10.1039/d5ra08313c","","x-ray","1.54184","CuKα","","0.0305","0.0286","","","0.0778","0.0791","","","","","","1.095","","","","has coordinates","304842","2026-03-05","07:39:35",""
"7251729","7.0921","0.0001","12.3101","0.0001","15.0776","0.0001","103.47","0.001","93.552","0.001","95.831","0.001","1268.51","0.02","99.99","0.1","99.99","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C22 H28.19 Cl F6 N4 O2.1 P Ru -","- C22 H28.196 Cl F6 N4 O2.098 P Ru -","- C44 H56.392 Cl2 F12 N8 O4.196 P2 Ru2 -","2","1","","Hacker, Ryan M.; Smith, Jacob J.; Platt, David C.; Loughlin, Maria I.; Grabowski, Emma N.; Brennessel, William W.; Jones, Marjorie A.; Webb, Michael I.","A Ru(ii)-arene complex with promising anti-Aβ activity.","RSC advances","2026","16","8","7056","7065","10.1039/d5ra08313c","","x-ray","1.54184","CuKα","","0.0293","0.0289","","","0.0693","0.0696","","","","","","1.044","","","","has coordinates","304842","2026-03-05","07:39:35",""
"7251730","10.434","0.002","10.785","0.002","13.251","0.003","92.47","0.03","110.71","0.03","110.25","0.03","1285.1","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H52 Au2 O4 P2 -","- C58 H52 Au2 O4 P2 -","- C58 H52 Au2 O4 P2 -","1","0.5","","Zeng, Yanyan; Zheng, Fei; Jin, Lingyu; Chen, Qiu Mei; Zhou, Ping; Mou, Xiaoqing; Wu, Xiang Hua; Zhang, Jun Feng; Ren, Wen Xiu","Synthesis and antitumor activity of mono and digold(i) alkynyl complexes with oligo(ethylene glycol)methylether.","RSC advances","2026","16","8","7092","7096","10.1039/d5ra08951d","","","0.71073","MoKα","","0.0992","0.0709","","","0.1812","0.219","","","","","","1.036","","","","has coordinates","304843","2026-03-05","07:39:54",""
"7251731","10.033","","10.151","","13.402","","102.15","","106.83","","111.15","","1140.11","","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H44 Au2 O2 P2 -","- C54 H44 Au2 O2 P2 -","- C54 H44 Au2 O2 P2 -","1","0.5","","Zeng, Yanyan; Zheng, Fei; Jin, Lingyu; Chen, Qiu Mei; Zhou, Ping; Mou, Xiaoqing; Wu, Xiang Hua; Zhang, Jun Feng; Ren, Wen Xiu","Synthesis and antitumor activity of mono and digold(i) alkynyl complexes with oligo(ethylene glycol)methylether.","RSC advances","2026","16","8","7092","7096","10.1039/d5ra08951d","","","0.71073","MoKα","","0.0474","0.0456","","","0.1069","0.1082","","","","","","1.028","","","","has coordinates","304843","2026-03-05","07:39:54",""
"7251732","11.9663","0.0002","7.5014","0.0001","25.5657","0.0004","90","","90","","90","","2294.88","0.06","150","0.2","150","0.2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H11 N3 O2 -","- C13 H11 N3 O2 -","- C104 H88 N24 O16 -","8","1","","Gim, Joardar; Kowser, Zannatul; Debnath, Dipa; Prieety, Redika Sarmin; Jahan, Miss Tasnim; Waddell, Paul G.; Khatun, Most Tahera; Munni, Sahara Khatun; Khan, Md Rashed; Islam, Rashedul","Selective detection of Cu<sup>2+</sup> in aqueous medium using an acid hydrazide-based chemosensor: experimental and DFT/TDDFT studies.","RSC advances","2026","16","5","4473","4485","10.1039/d5ra06131h","","x-ray","1.54184","CuKα","","0.0344","0.0313","","","0.0832","0.0858","","","","","","1.06","","","","has coordinates","304844","2026-03-05","07:40:13",""
"7251733","20.5435","0.0005","7.984","0.0002","26.6642","0.0007","90","","90","","90","","4373.44","0.19","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C23 H19 F3 N2 O5 S -","- C23 H19 F3 N2 O5 S -","- C184 H152 F24 N16 O40 S8 -","8","1","","Mancini, Luca; Ingargiola, Filippo; Barone, Giampaolo; Rossi, Patrizia; Formica, Mauro; Macedi, Eleonora; Lippi, Martina; Giorgi, Luca; Prodi, Luca; Fusi, Vieri; Paderni, Daniele","Synthesis and binding studies of two new coumarin-squaramide-based receptors for NSAIDs.","RSC advances","2026","16","5","4116","4128","10.1039/d5ra08698a","","","1.54178","CuKα","","0.0635","0.0456","","","0.1193","0.1324","","","","","","1.02","","","","has coordinates","304845","2026-03-05","07:40:33",""
"7251734","13.661","0.005","8.738","0.004","8.871","0.003","90","","123.79","0.011","90","","880.1","0.6","310","","310","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C5 H11 Cu N O6 -","- C5 H11 Cu N O6 -","- C20 H44 Cu4 N4 O24 -","4","0.5","","Liu, Boya; Zheng, Xueqi","A high-copper-content metal-organic framework with potential antibacterial activities.","RSC advances","2026","16","4","3602","3608","10.1039/d5ra08205f","","","0.71073","MoKα","","0.0233","0.0195","","","0.0524","0.0535","","","","","","1.09","","","","has coordinates","304846","2026-03-05","07:40:59",""
"7251735","16.158","0.0002","16.6083","0.0002","16.9298","0.0002","90","","112.185","0.003","90","","4206.89","0.13","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H72 Br4 Co N2 -","- C32 H72 Br4 Co N2 -","- C128 H288 Br16 Co4 N8 -","4","1","","Briki, Ridha; Ben Brahim, Khawla; Ben Gzaiel, Malika; Alsobai, Nourah A.; Rekik, Walid; Oueslati, Abderrazek","Correlated structural, vibrational and dielectric properties of the [(C<sub>4</sub>H<sub>9</sub>)<sub>4</sub>N]<sub>2</sub>CoBr<sub>4</sub> compound: origin of low-frequency polarization.","RSC advances","2026","16","4","3791","3802","10.1039/d5ra09416j","","","0.71073","MoKα","","0.1488","0.0556","","","0.1276","0.165","","","","","","1.002","","","","has coordinates","304847","2026-03-05","07:41:14",""
"7251736","8.3813","0.0006","15.7982","0.0011","19.1584","0.0013","102.206","0.003","92.856","0.002","95.182","0.002","2463.1","0.3","100.05","","100.05","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H30 Cu N4 S4 -","- C24 H30 Cu N4 S4 -","- C96 H120 Cu4 N16 S16 -","4","2","","Ajibade, Peter A.; Andrew, Fartisincha P.; Mbuyazi, Thandi B.; Papo, Tshephiso R.; Rajeshwar, Krishnan","Synthesis, crystal structure and DFT studies of a methylphenyl piperazinyl dithiocarbamato zinc(ii) precursor for zinc sulfide nanophotocatalysts used for the degradation of trypan blue and rhodamine 6G dyes.","RSC advances","2026","16","2","1848","1862","10.1039/d5ra04748j","","","0.71073","MoKα","","0.0795","0.0477","","","0.1062","0.1204","","","","","","1.029","","","","has coordinates","304848","2026-03-05","07:42:21",""
"7251737","8.8055","0.0002","46.2813","0.001","18.721","0.0003","90","","95.683","0.002","90","","7591.9","0.3","100","0.1","100","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C29 H27.17 Cu F12 N8.5 O2 P2 -","- C29 H27.165 Cu F12 N8.5 O2 P2 -","- C232 H217.32 Cu8 F96 N68 O16 P16 -","8","2","","Huo, X.; Guagliardo, M.; Duke, X.; Bouley, B.; Gorden, A. E. V.","Water-soluble imidazolium-functionalized Cu(ii) complex as a recyclable catalyst for allylic and benzylic oxidation.","RSC advances","2026","16","2","1335","1343","10.1039/d5ra09017b","","x-ray","1.54184","CuKα","","0.0969","0.0769","","","0.2159","0.2327","","","","","","1.062","","","","has coordinates,has disorder","304849","2026-03-05","07:42:43",""
"7251738","3.8927","0.0014","5.986","0.002","27.223","0.01","90","","93.888","0.009","90","","632.9","0.4","297","2","297","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C14 H8 Cl2 O3 -","- C14 H8 Cl2 O3 -","- C28 H16 Cl4 O6 -","2","0.5","","Roy, Sayanta; Dolai, Gobinda; Ariyan, S. K.; Mandal, Bhubaneswar","One-pot synthesis of ketones and symmetrical anhydrides from carboxylic acids.","RSC advances","2026","16","6","5466","5470","10.1039/d5ra08605a","","","0.71073","MoKα","","0.039","0.0339","","","0.1269","0.1435","","","","","","1.079","","","","has coordinates","304850","2026-03-05","07:43:02",""
"7251739","3.984","0.002","11.356","0.006","30.713","0.015","90","","90","","90","","1389.5","1.2","297","2","297","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 O5 -","- C16 H14 O5 -","- C64 H56 O20 -","4","1","","Roy, Sayanta; Dolai, Gobinda; Ariyan, S. K.; Mandal, Bhubaneswar","One-pot synthesis of ketones and symmetrical anhydrides from carboxylic acids.","RSC advances","2026","16","6","5466","5470","10.1039/d5ra08605a","","","0.71073","MoKα","","0.1232","0.0946","","","0.2158","0.227","","","","","","1.399","","","","has coordinates","304850","2026-03-05","07:43:07",""
"7251740","12.6947","0.0007","16.0289","0.0008","12.9162","0.0006","90","","103.19","0.002","90","","2558.9","0.2","100","2","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H41 N3 O3 Sr -","- C21 H41 N3 O3 Sr -","- C84 H164 N12 O12 Sr4 -","4","1","","Lee, Yeji; Park, Chanwoo; Jeong, Sangyeon; Lim, Daeun; Kim, Jonghyun; Kim, Hyeongjun; Kim, Eun A.; Cho, Seong-Yong; Yoo, Hyobin; Park, Bo Keun; Chung, Teak-Mo; Lee, Woongkyu","Synthesis of heteroleptic [Sr(ddemap)(tmhd)]<sub>2</sub> and its use in atomic layer deposition of low carbon SrO thin films.","RSC advances","2026","16","6","4740","4749","10.1039/d5ra08373g","","x-ray","0.71073","MoKα","","0.0399","0.0311","","","0.0811","0.0855","","","","","","1.0547","","","","has coordinates","304851","2026-03-05","07:43:38",""
"7251741","10.2636","0.0011","11.9494","0.0011","12.8936","0.0012","85.389","0.006","78.976","0.006","67.687","0.005","1435.9","0.2","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H28 Fe N5 O6 -","- C34 H28 Fe N5 O6 -","- C68 H56 Fe2 N10 O12 -","2","1","","Lazaro, Sharon E.; Harding, Phimphaka; Boonyang, Upsorn; Telfer, Shane G.; Phonsri, Wasinee; Murray, Keith S.; Harding, David J.","Reverse micelle synthesis and downsizing effects in iron(iii) spin crossover materials.","RSC advances","2026","16","7","5707","5715","10.1039/d5ra07308a","","","1.54178","CuKα","","0.1553","0.1059","","","0.2785","0.3282","","","","","","1.066","","","","has coordinates,has disorder","304852","2026-03-05","07:43:59",""
"7251742","10.5042","0.0004","11.6247","0.0004","14.2377","0.0006","90","","93.995","0.004","90","","1734.32","0.12","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H15 N O4 S -","- C21 H15 N O4 S -","- C84 H60 N4 O16 S4 -","4","1","","Manik, Soumen K.; Ali, Sk Asraf; Sepay, Nayim; Deb, Aniruddha; Shit, Manik; Barik, Paritosh; Rath, Jyotirmoy; Maity, Kankan K.; Pal, Sudhir C.; Samanta, Shubhankar; Hazra, Nirmal K.","A regioselective sustainable neat approach to naphtho[2,3-<i>b</i>]thiophene-4,9-dione: detailed mechanistic study and DFT analysis.","RSC advances","2026","16","7","6090","6105","10.1039/d5ra08362a","","","0.71073","MoKα","","0.0373","0.0334","","","0.0893","0.0922","","","","","","1.082","","","","has coordinates","304853","2026-03-05","07:44:37",""
"7251743","8.7952","0.0003","11.7758","0.0005","19.3258","0.0008","90","","90","","90","","2001.58","0.14","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","tert-butyl 4,9-dioxo-2-(phenylamino)-4,9-dihydronaphtho[2,3-b]thiophene-3-carboxylate","","- C23 H19 N2 O4 S -","- C23 H19 N O4 S -","- C92 H76 N4 O16 S4 -","4","1","","Manik, Soumen K.; Ali, Sk Asraf; Sepay, Nayim; Deb, Aniruddha; Shit, Manik; Barik, Paritosh; Rath, Jyotirmoy; Maity, Kankan K.; Pal, Sudhir C.; Samanta, Shubhankar; Hazra, Nirmal K.","A regioselective sustainable neat approach to naphtho[2,3-<i>b</i>]thiophene-4,9-dione: detailed mechanistic study and DFT analysis.","RSC advances","2026","16","7","6090","6105","10.1039/d5ra08362a","","","0.71073","MoKα","","0.0617","0.0508","","","0.1395","0.1577","","","","","","0.9","","","","has coordinates","304853","2026-03-05","07:44:38",""
"7251744","13.391","0.003","9.952","0.003","33.797","0.009","90","","90","","90","","4504","2","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C24 H19 N O6 S -","- C24 H19 N O6 S -","- C192 H152 N8 O48 S8 -","8","1","","Manik, Soumen K.; Ali, Sk Asraf; Sepay, Nayim; Deb, Aniruddha; Shit, Manik; Barik, Paritosh; Rath, Jyotirmoy; Maity, Kankan K.; Pal, Sudhir C.; Samanta, Shubhankar; Hazra, Nirmal K.","A regioselective sustainable neat approach to naphtho[2,3-<i>b</i>]thiophene-4,9-dione: detailed mechanistic study and DFT analysis.","RSC advances","2026","16","7","6090","6105","10.1039/d5ra08362a","","","0.71073","MoKα","","0.115","0.0616","","","0.1512","0.1847","","","","","","1.028","","","","has coordinates","304853","2026-03-05","07:44:38",""
"7251745","9.444","0.0006","10.394","0.0005","15.2628","0.0009","90","","105.648","0.006","90","","1442.68","0.15","104","2","104","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H13 Cl O5 -","- C16 H13 Cl O5 -","- C64 H52 Cl4 O20 -","4","1","","Manik, Soumen K.; Ali, Sk Asraf; Sepay, Nayim; Deb, Aniruddha; Shit, Manik; Barik, Paritosh; Rath, Jyotirmoy; Maity, Kankan K.; Pal, Sudhir C.; Samanta, Shubhankar; Hazra, Nirmal K.","A regioselective sustainable neat approach to naphtho[2,3-<i>b</i>]thiophene-4,9-dione: detailed mechanistic study and DFT analysis.","RSC advances","2026","16","7","6090","6105","10.1039/d5ra08362a","","","0.71073","MoKα","","0.1422","0.0606","","","0.1094","0.1303","","","","","","1.036","","","","has coordinates","304853","2026-03-05","07:44:38",""
"7251746","7.5517","0.0003","12.573","0.0005","12.5911","0.0004","87.622","0.003","87.637","0.002","87.759","0.003","1192.61","0.08","150","","150","","","","","","","","","3","P -1","-P 1","2","","","","- C36 H23 N -","- C36 H23 N -","- C72 H46 N2 -","2","1","","Kong, Minwoo; Lee, Ji Hye; Park, Heekyung; Hwang, Hyonseok; Lee, Junseong; Park, Jun Hui; Park, Myung Hwan; Kang, Houng","Effect of <i>para</i>-aryl-substituted <i>N</i>-phenyl groups on the photophysical properties of highly fluorescent dibenzo[<i>c</i>,<i>g</i>]carbazole-based chromophores.","RSC advances","2026","16","7","5887","5893","10.1039/d5ra09166g","","","0.71073","MoKα","","0.1458","0.0621","","","0.1221","0.154","","","","","","0.978","","","","has coordinates,has disorder","304854","2026-03-05","07:45:08",""
"7251747","10.9543","0.0005","16.4575","0.0007","19.2722","0.0008","114.469","0.004","92.108","0.004","92.067","0.004","3155.2","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H42 Bi3 Br6 Cl15 N18 -","- C30 H42 Bi3 Br6 Cl15 N18 -","- C60 H84 Bi6 Br12 Cl30 N36 -","2","1","","Jridi, Chaima; Elleuch, Nour; Shova, Sergiu; Lhoste, Jerome; Amiard, Frédéric; Boujelbene, Mohamed","A new hybrid bismuth chloride semiconductor (C<sub>5</sub>H<sub>7</sub>BrN<sub>3</sub>)<sub>6</sub>(BiCl<sub>5</sub>)<sub>3</sub>: powder XRD, optical properties, and DFT investigation.","RSC advances","2026","16","7","6299","6313","10.1039/d5ra09478j","","","0.71073","MoKα","","0.1427","0.0658","","","0.1193","0.1485","","","","","","1.014","","","","has coordinates,has disorder","304855","2026-03-05","07:45:34",""
"7251748","5.7931","0.0002","7.3909","0.0002","10.8114","0.0003","98.62","0.002","95.588","0.002","92.568","0.002","454.67","0.02","293.15","","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C4 H5 Cs N8 O -","- C4 H5 Cs N8 O -","- C8 H10 Cs2 N16 O2 -","2","1","","Shi, Junhao; Liao, Sicheng; Huang, Shiliang; Jiang, Tianyu; Wang, Kangcai; Zhang, Wenquan","Synthesis and structural characterization of the <i>Z</i>-isomer of 1,2-bis(tetrazol-5-yl)ethylene (H<sub>2</sub>bte) <i>via</i> photoinduced isomerization.","RSC advances","2026","16","3","2724","2731","10.1039/d5ra09255h","","x-ray","1.54184","CuKα","","0.0572","0.0538","","","0.143","0.1507","","","","","","1.064","","","","has coordinates","304856","2026-03-05","07:46:35",""
"7251749","3.7983","0.0001","20.4558","0.0002","25.5993","0.0004","90","","90.164","0.001","90","","1988.99","0.06","297.6","0.3","297.6","0.3","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C4 H4 N8 -","- C4 H4 N8 -","- C48 H48 N96 -","12","3","","Shi, Junhao; Liao, Sicheng; Huang, Shiliang; Jiang, Tianyu; Wang, Kangcai; Zhang, Wenquan","Synthesis and structural characterization of the <i>Z</i>-isomer of 1,2-bis(tetrazol-5-yl)ethylene (H<sub>2</sub>bte) <i>via</i> photoinduced isomerization.","RSC advances","2026","16","3","2724","2731","10.1039/d5ra09255h","","","1.54178","CuKα","","0.0754","0.0538","","","0.1513","0.2073","","","","","","1.03","","","","has coordinates","304856","2026-03-05","07:46:35",""
"7251750","5.7806","0.0002","24.5527","0.0005","7.2544","0.0002","90","","97.077","0.002","90","","1021.77","0.05","292.78","0.1","292.78","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H9 N8 Na O3 -","- C4 H9 N8 Na O3 -","- C16 H36 N32 Na4 O12 -","4","1","","Shi, Junhao; Liao, Sicheng; Huang, Shiliang; Jiang, Tianyu; Wang, Kangcai; Zhang, Wenquan","Synthesis and structural characterization of the <i>Z</i>-isomer of 1,2-bis(tetrazol-5-yl)ethylene (H<sub>2</sub>bte) <i>via</i> photoinduced isomerization.","RSC advances","2026","16","3","2724","2731","10.1039/d5ra09255h","","x-ray","1.54184","CuKα","","0.0625","0.0426","","","0.1077","0.1277","","","","","","1.086","","","","has coordinates,has disorder","304856","2026-03-05","07:46:35",""
"7251751","6.1358","0.0002","6.9761","0.0002","11.3456","0.0002","99.452","0.002","102.405","0.002","95.643","0.002","463.34","0.02","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C4 H5 Cs N8 O -","- C4 H5 Cs N8 O -","- C8 H10 Cs2 N16 O2 -","2","1","","Shi, Junhao; Liao, Sicheng; Huang, Shiliang; Jiang, Tianyu; Wang, Kangcai; Zhang, Wenquan","Synthesis and structural characterization of the <i>Z</i>-isomer of 1,2-bis(tetrazol-5-yl)ethylene (H<sub>2</sub>bte) <i>via</i> photoinduced isomerization.","RSC advances","2026","16","3","2724","2731","10.1039/d5ra09255h","","x-ray","1.54184","CuKα","","0.0521","0.0472","","","0.1238","0.1406","","","","","","1.114","","","","has coordinates","304856","2026-03-05","07:46:35",""
"7251752","16.7517","0.0007","10.2858","0.0004","34.5008","0.0016","90","","100.862","0.002","90","","5838.1","0.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H26 Co N4 O8 S3 -","- C24 H26 Co N4 O8 S3 -","- C192 H208 Co8 N32 O64 S24 -","8","1","","Botelho, Luckerman D. G.; Junior, Henrique C. S.; Guedes, Guilherme P.; Mariano, Davor L.; Gomes, Angelo M.; Nunes, Wallace C.; Marinho, Maria Vanda","Self-assembled isomorphous 2D triangular networks: divergent magnetic relaxation in Co(ii) and Cu(ii).","RSC advances","2026","16","3","2179","2189","10.1039/d5ra06376k","","","0.71073","MoKα","","0.1107","0.0872","","","0.1826","0.1938","","","","","","1.146","","","","has coordinates,has disorder","304857","2026-03-05","07:47:07",""
"7251753","16.6448","0.0008","10.3055","0.0005","34.8408","0.0016","90","","101.442","0.002","90","","5857.6","0.5","293","","293","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H26 Cu N4 O9 S3 -","- C24 H26 Cu N4 O9 S3 -","- C192 H208 Cu8 N32 O72 S24 -","8","1","","Botelho, Luckerman D. G.; Junior, Henrique C. S.; Guedes, Guilherme P.; Mariano, Davor L.; Gomes, Angelo M.; Nunes, Wallace C.; Marinho, Maria Vanda","Self-assembled isomorphous 2D triangular networks: divergent magnetic relaxation in Co(ii) and Cu(ii).","RSC advances","2026","16","3","2179","2189","10.1039/d5ra06376k","","","0.71073","MoKα","","0.067","0.0594","","","0.1583","0.1648","","","","","","1.033","","","","has coordinates,has disorder","304857","2026-03-05","07:47:07",""
"7251754","7.2368","0.0002","9.0908","0.0002","19.3367","0.0005","90","","100.219","0.002","90","","1251.95","0.06","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C4 H18 Ag N O10 P2 -","- C4 H18 Ag N O10 P2 -","- C16 H72 Ag4 N4 O40 P8 -","4","1","","Forsyth, Craig M.; Deacon, Glen B.; Junk, Peter C.","Directing alendronate structures into 2-D layers with bulky quaternary phosphonium cations","CrystEngComm","2026","28","14","2151","2163","10.1039/D5CE01121C","","","0.71073","MoKα","","0.0261","0.0227","","","0.0524","0.0539","","","","","","1.068","","","","has coordinates","306368","2026-06-05","18:49:43",""
"7251755","9.4071","0.0001","9.7444","0.0001","14.7719","0.0002","89.718","0.001","88.312","0.001","88.213","0.001","1352.83","0.03","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H66 N2 O15 P6 -","- C56 H66 N2 O15 P6 -","- C56 H66 N2 O15 P6 -","1","0.5","","Forsyth, Craig M.; Deacon, Glen B.; Junk, Peter C.","Directing alendronate structures into 2-D layers with bulky quaternary phosphonium cations","CrystEngComm","2026","28","14","2151","2163","10.1039/D5CE01121C","","","1.54184","CuKα","","0.0378","0.0351","","","0.0942","0.0961","","","","","","1.095","","","","has coordinates,has disorder","306368","2026-06-05","18:49:43",""
"7251756","9.1001","0.0001","9.2541","0.0001","16.7568","0.0002","80.04","0.001","76.686","0.001","81.909","0.001","1345","0.03","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H36 N O8 P3 -","- C25 H36 N O8 P3 -","- C50 H72 N2 O16 P6 -","2","1","","Forsyth, Craig M.; Deacon, Glen B.; Junk, Peter C.","Directing alendronate structures into 2-D layers with bulky quaternary phosphonium cations","CrystEngComm","2026","28","14","2151","2163","10.1039/D5CE01121C","","","1.54184","CuKα","","0.0332","0.0319","","","0.085","0.0862","","","","","","1.049","","","","has coordinates","306368","2026-06-05","18:49:43",""
"7251757","10.0191","0.0002","11.5988","0.0002","15.451","0.0003","75.289","0.002","73.302","0.002","82.836","0.002","1660.86","0.06","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H44 N O13 P3 -","- C28 H44 N O13 P3 -","- C56 H88 N2 O26 P6 -","2","1","","Forsyth, Craig M.; Deacon, Glen B.; Junk, Peter C.","Directing alendronate structures into 2-D layers with bulky quaternary phosphonium cations","CrystEngComm","2026","28","14","2151","2163","10.1039/D5CE01121C","","","1.54184","CuKα","","0.0371","0.0341","","","0.0921","0.0948","","","","","","1.066","","","","has coordinates","306368","2026-06-05","18:49:43",""
"7251758","17.3376","0.0002","9.8952","0.0001","18.6706","0.0002","90","","116.585","0.002","90","","2864.45","0.07","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H40 N O11 P3 -","- C24 H40 N O11 P3 -","- C96 H160 N4 O44 P12 -","4","1","","Forsyth, Craig M.; Deacon, Glen B.; Junk, Peter C.","Directing alendronate structures into 2-D layers with bulky quaternary phosphonium cations","CrystEngComm","2026","28","14","2151","2163","10.1039/D5CE01121C","","","1.54184","CuKα","","0.0423","0.0383","","","0.1001","0.1034","","","","","","1.056","","","","has coordinates","306368","2026-06-05","18:49:43",""
"7251759","14.8268","0.0002","9.2012","0.0001","18.5019","0.0002","90","","106.204","0.001","90","","2423.84","0.05","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H30 N O7 P3 -","- C23 H30 N O7 P3 -","- C92 H120 N4 O28 P12 -","4","1","","Forsyth, Craig M.; Deacon, Glen B.; Junk, Peter C.","Directing alendronate structures into 2-D layers with bulky quaternary phosphonium cations","CrystEngComm","2026","28","14","2151","2163","10.1039/D5CE01121C","","","1.54184","CuKα","","0.0357","0.033","","","0.0876","0.0896","","","","","","1.078","","","","has coordinates","306368","2026-06-05","18:49:43",""
"7251760","9.5185","0.0001","13.6577","0.0002","17.1463","0.0002","82.157","0.001","74.606","0.001","76.575","0.001","2083.67","0.05","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H53 N2 O16 P5 -","- C34 H53 N2 O16 P5 -","- C68 H106 N4 O32 P10 -","2","1","","Forsyth, Craig M.; Deacon, Glen B.; Junk, Peter C.","Directing alendronate structures into 2-D layers with bulky quaternary phosphonium cations","CrystEngComm","2026","28","14","2151","2163","10.1039/D5CE01121C","","","1.54184","CuKα","","0.0398","0.0352","","","0.0921","0.0949","","","","","","1.05","","","","has coordinates","306368","2026-06-05","18:49:43",""
"7251761","9.588","0.0001","9.6811","0.0001","13.9927","0.0002","91.449","0.001","99.36","0.001","98.069","0.001","1267.32","0.03","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H32 N O7 P3 -","- C24 H32 N O7 P3 -","- C48 H64 N2 O14 P6 -","2","1","","Forsyth, Craig M.; Deacon, Glen B.; Junk, Peter C.","Directing alendronate structures into 2-D layers with bulky quaternary phosphonium cations","CrystEngComm","2026","28","14","2151","2163","10.1039/D5CE01121C","","","1.54184","CuKα","","0.0312","0.0296","","","0.0782","0.0793","","","","","","1.054","","","","has coordinates","306368","2026-06-05","18:49:43",""
"7251762","19.032","0.0003","9.189","0.0002","18.6815","0.0003","90","","100.833","0.002","90","","3208.89","0.1","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H39 N2 O8 P3 -","- C31 H39 N2 O8 P3 -","- C124 H156 N8 O32 P12 -","4","1","","Forsyth, Craig M.; Deacon, Glen B.; Junk, Peter C.","Directing alendronate structures into 2-D layers with bulky quaternary phosphonium cations","CrystEngComm","2026","28","14","2151","2163","10.1039/D5CE01121C","","","1.54184","CuKα","","0.0562","0.0464","","","0.1213","0.1276","","","","","","1.046","","","","has coordinates","306368","2026-06-05","18:49:43",""
"7251763","20.407","0.0007","11.1705","0.0004","9.3384","0.0003","90","","98.45","0.001","90","","2105.64","0.12","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 Cl3 N3 O S -","- C20 H20 Cl3 N3 O S -","- C80 H80 Cl12 N12 O4 S4 -","4","1","","Stefaniak, Monica A.; Gondil, Vijay S.; Gillis, Emily P.; Nemeth, Ansley M.; Oliver, Allen Grayson; Melander, Roberta; Dunman, Paul M.; Melander, Christian","Exploration of a Benzothiophene Scaffold for Use as Adjuvants with β-Lactam Antibiotics against Methicillin-Resistant Staphylococcus aureus","RSC Medicinal Chemistry","2026","","","","","10.1039/D5MD01109D","","x-ray","1.54178","CuKα","","0.0269","0.0263","","","0.0699","0.0703","","","","","","1.033","","","","has coordinates","304976","2026-03-06","04:17:13",""
"7251764","8.86561","0.0001","14.71412","0.00015","13.82658","0.00018","90","","90.0907","0.001","90","","1803.67","0.04","150","0.1","150","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H26 N6 -","- C20 H26 N6 -","- C80 H104 N24 -","4","2","","Xu, Tingguo; Dai, Suyi; Hu, Zhouxing; Ou, Anqi; Wang, Xingdong; Wang, Lisheng","Design, synthesis, and biological evaluation of X19: a matrine pyrazole derivatives therapeutic candidate","RSC Medicinal Chemistry","2026","","","","","10.1039/D5MD01118C","","x-ray","1.54184","CuKα","","0.0552","0.0548","","","0.1472","0.1476","","","","","","1.082","","","","has coordinates","304977","2026-03-06","04:17:28",""
"7251765","6.5661","0.0002","11.9787","0.0003","15.703","0.0006","68.636","0.003","87.69","0.003","77.073","0.003","1119.92","0.07","100","2","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C52 H46 F6 N2 Ni O8 -","- C52 H46 F6 N2 Ni O8 -","- C52 H46 F6 N2 Ni O8 -","1","0.5","","Alia, Kamrun Nahar; Debbarma, Bugra Koknarugmani; Nath, Sourav; Roy, Subhadip; Kennedy, Alan R.; Adhikari, Suman; Kumar, Malavika S.; Das, Avijit Kumar; Begum, Samiyara; Mohiuddin, Golam","Crystallographic and computational investigation of a bent-core Schiff base Ni(ii) complex with DNA and protein binding studies","RSC Advances","2026","16","14","12547","12557","10.1039/D5RA07894F","","","1.54184","CuKα","","0.0516","0.0421","","","0.1034","0.1092","","","","","","1.0437","","","","has coordinates,has disorder","304981","2026-03-06","05:45:57",""
"7251766","22.6294","0.0015","9.8872","0.0006","15.745","0.0012","90","","125.515","0.004","90","","2867.4","0.4","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C22 H20.55 B2 Cl2 Fe N10 O12.27 -","- C22 H20.548 B2 Cl2 Fe N10 O12.274 -","- C88 H82.192 B8 Cl8 Fe4 N40 O49.096 -","4","0.5","","Zhang, Minghui; Heinemann, Frank W.; Khusniyarov, Marat M.","Spin-crossover iron(ii) complexes featuring boronic acid and boronic ester groups: synthesis and magnetic properties","CrystEngComm","2026","28","15","2355","2363","10.1039/D6CE00062B","","","0.71073","MoKα","","0.0351","0.0289","","","0.0686","0.0735","","","","","","1.057","","","","has coordinates","305795","2026-05-05","09:04:48",""
"7251767","16.4968","0.0012","18.4483","0.0013","20.7114","0.0016","90","","91.181","0.003","90","","6301.9","0.8","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H76 B2 Cl2 Fe N10 O14 -","- C48.008 H76.02 B2 Cl2 Fe N10 O14.002 -","- C192.032 H304.08 B8 Cl8 Fe4 N40 O56.008 -","4","1","","Zhang, Minghui; Heinemann, Frank W.; Khusniyarov, Marat M.","Spin-crossover iron(ii) complexes featuring boronic acid and boronic ester groups: synthesis and magnetic properties","CrystEngComm","2026","28","15","2355","2363","10.1039/D6CE00062B","","","0.71073","MoKα","","0.0704","0.0573","","","0.1537","0.1648","","","","","","1.074","","","","has coordinates,has disorder","305795","2026-05-05","09:04:48",""
"7251768","23.6479","0.0017","10.1118","0.0006","16.0253","0.0011","90","","126.737","0.004","90","","3070.9","0.4","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H24 B2 Cl2 Fe N10 O12 -","- C24 H24 B2 Cl2 Fe N10 O12 -","- C96 H96 B8 Cl8 Fe4 N40 O48 -","4","0.5","","Zhang, Minghui; Heinemann, Frank W.; Khusniyarov, Marat M.","Spin-crossover iron(ii) complexes featuring boronic acid and boronic ester groups: synthesis and magnetic properties","CrystEngComm","2026","28","15","2355","2363","10.1039/D6CE00062B","","","0.71073","MoKα","","0.0563","0.0432","","","0.0966","0.1042","","","","","","1.073","","","","has coordinates","305795","2026-05-05","09:04:48",""
"7251769","25.4259","0.0015","10.095","0.0005","16.2659","0.0011","90","","126.226","0.003","90","","3368","0.4","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C26 H28 B2 Cl2 Fe N10 O12 -","- C26 H28 B2 Cl2 Fe N10 O12 -","- C104 H112 B8 Cl8 Fe4 N40 O48 -","4","0.5","","Zhang, Minghui; Heinemann, Frank W.; Khusniyarov, Marat M.","Spin-crossover iron(ii) complexes featuring boronic acid and boronic ester groups: synthesis and magnetic properties","CrystEngComm","2026","28","15","2355","2363","10.1039/D6CE00062B","","","0.71073","MoKα","","0.0385","0.0314","","","0.0761","0.0803","","","","","","1.054","","","","has coordinates","305795","2026-05-05","09:04:48",""
"7251770","12.2241","0.0014","15.1783","0.0019","23.332","0.003","90","","90","","90","","4329","0.9","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H27 N O2 S -","- C24 H27 N O2 S -","- C192 H216 N8 O16 S8 -","8","1","","Mutra, Mohana Reddy; Chandana, T. L.; Chen, Hsing-Yin; Wang, Yun-Jou; Wang, Jeh-Jeng","Diastereoselective construction of complex spiroheterocycles via γ-C(sp3)–H functionalization of 1,1-disubstituted cyclohexanes with diverse bifunctional reagents","Green Chemistry","2026","28","13","5753","5766","10.1039/D5GC06338H","","","0.71073","MoKα","","0.105","0.062","","","0.173","0.2211","","","","","","1.01","","","","has coordinates","305405","2026-04-05","12:19:09",""
"7251771","17.9254","0.0008","20.1083","0.0008","17.3647","0.0007","90","","115.764","0.001","90","","5636.9","0.4","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C31 H33 N O5 S2 -","- C31 H33 N O5 S2 -","- C248 H264 N8 O40 S16 -","8","1","","Mutra, Mohana Reddy; Chandana, T. L.; Chen, Hsing-Yin; Wang, Yun-Jou; Wang, Jeh-Jeng","Diastereoselective construction of complex spiroheterocycles via γ-C(sp3)–H functionalization of 1,1-disubstituted cyclohexanes with diverse bifunctional reagents","Green Chemistry","2026","28","13","5753","5766","10.1039/D5GC06338H","","","0.71073","MoKα","","0.06","0.0542","","","0.1495","0.1559","","","","","","1.035","","","","has coordinates","305405","2026-04-05","12:19:09",""
"7251772","10.2587","0.0003","14.3099","0.0003","22.3142","0.0005","90","","99.898","0.002","90","","3226.99","0.14","113","2","113","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36 H36 Cl N O4 S2 Se -","- C36 H36 Cl N O4 S2 Se -","- C144 H144 Cl4 N4 O16 S8 Se4 -","4","1","","Mutra, Mohana Reddy; Chandana, T. L.; Chen, Hsing-Yin; Wang, Yun-Jou; Wang, Jeh-Jeng","Diastereoselective construction of complex spiroheterocycles via γ-C(sp3)–H functionalization of 1,1-disubstituted cyclohexanes with diverse bifunctional reagents","Green Chemistry","2026","28","13","5753","5766","10.1039/D5GC06338H","","x-ray","0.71073","MoKα","","0.0513","0.039","","","0.0869","0.0909","","","","","","1.025","","","","has coordinates","305405","2026-04-05","12:19:09",""
"7251773","8.8033","0.0005","10.9603","0.0005","16.191","0.0009","71.565","0.002","84.701","0.002","85.036","0.002","1473","0.14","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H34 I N O4 S2 -","- C31 H34 I N O4 S2 -","- C62 H68 I2 N2 O8 S4 -","2","1","","Mutra, Mohana Reddy; Chandana, T. L.; Chen, Hsing-Yin; Wang, Yun-Jou; Wang, Jeh-Jeng","Diastereoselective construction of complex spiroheterocycles via γ-C(sp3)–H functionalization of 1,1-disubstituted cyclohexanes with diverse bifunctional reagents","Green Chemistry","2026","28","13","5753","5766","10.1039/D5GC06338H","","","0.71073","MoKα","","0.0513","0.0378","","","0.1039","0.1149","","","","","","0.987","","","","has coordinates","305405","2026-04-05","12:19:09",""
"7251774","8.5625","0.0001","20.6098","0.0002","19.3435","0.0002","90","","98.873","0.001","90","","3372.72","0.06","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H38 I N O4 S2 -","- C37 H38 I N O4 S2 -","- C148 H152 I4 N4 O16 S8 -","4","1","","Mutra, Mohana Reddy; Chandana, T. L.; Chen, Hsing-Yin; Wang, Yun-Jou; Wang, Jeh-Jeng","Diastereoselective construction of complex spiroheterocycles via γ-C(sp3)–H functionalization of 1,1-disubstituted cyclohexanes with diverse bifunctional reagents","Green Chemistry","2026","28","13","5753","5766","10.1039/D5GC06338H","","x-ray","0.71073","MoKα","","0.0514","0.0436","","","0.1107","0.1145","","","","","","1.045","","","","has coordinates","305405","2026-04-05","12:19:09",""
"7251775","10.571","0.0004","14.5162","0.0004","22.7243","0.0009","90","","101.071","0.001","90","","3422.2","0.2","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H38 Cl N O4 S3 -","- C37 H38 Cl N O4 S3 -","- C148 H152 Cl4 N4 O16 S12 -","4","1","","Mutra, Mohana Reddy; Chandana, T. L.; Chen, Hsing-Yin; Wang, Yun-Jou; Wang, Jeh-Jeng","Diastereoselective construction of complex spiroheterocycles via γ-C(sp3)–H functionalization of 1,1-disubstituted cyclohexanes with diverse bifunctional reagents","Green Chemistry","2026","28","13","5753","5766","10.1039/D5GC06338H","","","0.71073","MoKα","","0.0589","0.0427","","","0.1227","0.1369","","","","","","1.044","","","","has coordinates","305405","2026-04-05","12:19:09",""
"7251776","9.419","0.0006","10.8612","0.0008","11.0976","0.0008","95.689","0.001","92.646","0.001","90.88","0.001","1128.28","0.14","296","2","296.15","","","","","","","","","8","P -1","-P 1","2","","","","- C6 H30 As6 Cl2 Mo6 N6 Ni O36 -","- C6 H30 As6 Cl2 Mo6 N6 Ni O36 -","- C6 H30 As6 Cl2 Mo6 N6 Ni O36 -","1","0.5","","Zhang, Lijuan; Lu, Tinghao; Hua, Ziqian; Du, Haoming; Yue, Hongrui; Hua, Jiai; Cheng, Xuankai; Zhai, Xiaoting; Cai, Zhiqiang; Ma, Xiang","A nickel-substituted Andserson-type arsenomolybdate used as adsorbents with high efficiency and selectivity toward methylene blue","CrystEngComm","2026","","","","","10.1039/D5CE01088H","","","0.71073","MoKα","","0.0485","0.0434","","","0.1151","0.1179","","","","","","1.008","","","","has coordinates","305010","2026-03-10","01:59:01",""
"7251777","20.8124","0.001","24.2224","0.0011","31.0731","0.0011","112.136","0.002","92.155","0.002","91.899","0.002","14480.9","1.1","80","","80","","","","","","","","","5","P -1","-P 1","2","","Zn-HTT","","- C114 H60 N6 S36 Zn10 -","- C114 H60 N6 S36 Zn10 -","- C228 H120 N12 S72 Zn20 -","2","1","","Qin, Haihan; Hu, Jieying; Li, Jian-Rong; Jiang, Long; Chung, Lai-Hon; He, Jun","From 3-fold to 6-fold: tuning interpenetration of Zn-triphenylenehexathiolate MOF through precursor hydration","CrystEngComm","2026","28","15","2305","2310","10.1039/D6CE00077K","","","1.34138","GaKα","","0.1439","0.1199","","","0.2443","0.2534","","","","","","1.065","","","","has coordinates","305793","2026-05-05","09:04:40",""
"7251778","5.7241","0.0001","11.0388","0.0002","11.8971","0.0003","116.814","0.002","95.59","0.002","92.275","0.002","664.76","0.03","100","","100","","","","","","","","","3","P -1","-P 1","2","","2,7-dioctylbiphenyleno[1,2-b:5,6-b']dithiophene","","- C32 H40 S2 -","- C32 H40 S2 -","- C32 H40 S2 -","1","0.5","","Watanabe, Makoto; Miyashita, Masato; Fukuda, Takashi; Oku, Shinya","Synthesis of 2,7-dioctylbiphenylenodithiophenes for use as organic semiconducting materials in solution-processed organic thin-film transistors","CrystEngComm","2026","28","14","2234","2242","10.1039/D5CE01050K","","x-ray","1.54184","CuKα","","0.0357","0.0346","","","0.0909","0.0919","","","","","","1.028","","","","has coordinates","306367","2026-06-05","18:49:38",""
"7251779","10.9056","0.0004","4.7333","0.0002","52.478","0.002","90","","93.015","0.003","90","","2705.14","0.18","100","","100","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","2,7-dioctylbiphenyleno[2,3-b:6,7-b']dithiophene","","- C32 H40 S2 -","- C32 H40 S2 -","- C128 H160 S8 -","4","0.5","","Watanabe, Makoto; Miyashita, Masato; Fukuda, Takashi; Oku, Shinya","Synthesis of 2,7-dioctylbiphenylenodithiophenes for use as organic semiconducting materials in solution-processed organic thin-film transistors","CrystEngComm","2026","28","14","2234","2242","10.1039/D5CE01050K","","x-ray","1.54184","CuKα","","0.0594","0.0572","","","0.154","0.1581","","","","","","1.056","","","","has coordinates","306367","2026-06-05","18:49:38",""
"7251780","6.5336","0.0002","6.5782","0.0003","13.1761","0.0004","81.856","0.003","81.082","0.003","62.118","0.004","492.95","0.04","293","2","293","2","","","","","","","","3","P 1","P 1","1","","4-Diamantyl-1-adamantanecarboxylate","","- C25 H34 O2 -","- C25 H34 O2 -","- C25 H34 O2 -","1","1","","Burić, Nataša; González Ayani, Cosme; Vuletić, Tomislav; Sohora, Margareta; Štefanić, Zoran; Delač, Ida; Šekutor, Marina","Self-assembly of structurally rigid diamondoid esters on a HOPG surface.","Physical chemistry chemical physics : PCCP","2026","28","14","8467","8477","10.1039/d6cp00381h","","","1.54184","CuKα","","0.0416","0.0402","","","0.1159","0.1178","","","","","","1.097","","","","has coordinates","305861","2026-05-05","09:34:40",""
"7251781","10.975","0.0001","13.7631","0.0001","10.4977","0.0001","90","","94.709","0.001","90","","1580.33","0.02","99.98","0.1","99.98","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 Br N3 S -","- C16 H16 Br N3 S -","- C64 H64 Br4 N12 S4 -","4","1","","Snisha, Kallivalappil; Karthikeyan, Mano Chitra; Bhuvanesh, Nattamai; Arockiam, Antony Joseph Velanganni; Karvembu, Ramasamy","Synthesis of sulfanyl derivatives of 1,2,4-triazoles via an acid catalyzed intramolecular cyclization of isothiosemicarbazones: structural characterization, E/Z isomerism, mechanistic insights and in vitro cytotoxicity","RSC Advances","2026","16","15","13433","13446","10.1039/D6RA00822D","","x-ray","1.54184","CuKα","","0.0356","0.0351","","","0.0953","0.0958","","","","","","1.074","","","","has coordinates","305035","2026-03-11","04:18:43",""
"7251782","9.242","0.0001","4.946","0.0001","17.0656","0.0002","90","","90.838","0.001","90","","780","0.02","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H16 N4 O2 S -","- C16 H16 N4 O2 S -","- C32 H32 N8 O4 S2 -","2","1","","Snisha, Kallivalappil; Karthikeyan, Mano Chitra; Bhuvanesh, Nattamai; Arockiam, Antony Joseph Velanganni; Karvembu, Ramasamy","Synthesis of sulfanyl derivatives of 1,2,4-triazoles via an acid catalyzed intramolecular cyclization of isothiosemicarbazones: structural characterization, E/Z isomerism, mechanistic insights and in vitro cytotoxicity","RSC Advances","2026","16","15","13433","13446","10.1039/D6RA00822D","","x-ray","1.54184","CuKα","","0.0239","0.0235","","","0.0638","0.0642","","","","","","1.054","","","","has coordinates","305035","2026-03-11","04:18:44",""
"7251783","24.8331","0.0002","11.787","0.0001","10.0774","0.0001","90","","92.839","0.001","90","","2946.11","0.05","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 N3 S -","- C16 H17 N3 S -","- C128 H136 N24 S8 -","8","2","","Snisha, Kallivalappil; Karthikeyan, Mano Chitra; Bhuvanesh, Nattamai; Arockiam, Antony Joseph Velanganni; Karvembu, Ramasamy","Synthesis of sulfanyl derivatives of 1,2,4-triazoles via an acid catalyzed intramolecular cyclization of isothiosemicarbazones: structural characterization, E/Z isomerism, mechanistic insights and in vitro cytotoxicity","RSC Advances","2026","16","15","13433","13446","10.1039/D6RA00822D","","x-ray","1.54184","CuKα","","0.0377","0.0351","","","0.0946","0.0968","","","","","","1.082","","","","has coordinates","305035","2026-03-11","04:18:44",""
"7251784","35.0245","0.0003","8.1813","0.0001","10.7936","0.0001","90","","93.119","0.001","90","","3088.28","0.05","100","0.4","100","0.4","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H17 N3 O S -","- C17 H17 N3 O S -","- C136 H136 N24 O8 S8 -","8","1","","Snisha, Kallivalappil; Karthikeyan, Mano Chitra; Bhuvanesh, Nattamai; Arockiam, Antony Joseph Velanganni; Karvembu, Ramasamy","Synthesis of sulfanyl derivatives of 1,2,4-triazoles via an acid catalyzed intramolecular cyclization of isothiosemicarbazones: structural characterization, E/Z isomerism, mechanistic insights and in vitro cytotoxicity","RSC Advances","2026","16","15","13433","13446","10.1039/D6RA00822D","","x-ray","1.54184","CuKα","","0.0381","0.0367","","","0.0972","0.0982","","","","","","1.108","","","","has coordinates","305035","2026-03-11","04:18:44",""
"7251785","18.0524","0.0004","7.4997","0.0002","11.6915","0.0002","90","","106.138","0.002","90","","1520.51","0.06","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 N4 O2 S -","- C16 H14 N4 O2 S -","- C64 H56 N16 O8 S4 -","4","1","","Snisha, Kallivalappil; Karthikeyan, Mano Chitra; Bhuvanesh, Nattamai; Arockiam, Antony Joseph Velanganni; Karvembu, Ramasamy","Synthesis of sulfanyl derivatives of 1,2,4-triazoles via an acid catalyzed intramolecular cyclization of isothiosemicarbazones: structural characterization, E/Z isomerism, mechanistic insights and in vitro cytotoxicity","RSC Advances","2026","16","15","13433","13446","10.1039/D6RA00822D","","x-ray","1.54184","CuKα","","0.0588","0.0549","","","0.1547","0.1592","","","","","","1.05","","","","has coordinates","305035","2026-03-11","04:18:45",""
"7251786","6.8129","0.0001","9.1551","0.0001","15.645","0.0001","83.898","0.001","78.195","0.001","71.032","0.001","902.482","0.019","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C16 H19 Br N4 O3 S -","- C16 H19 Br N4 O3 S -","- C32 H38 Br2 N8 O6 S2 -","2","1","","Snisha, Kallivalappil; Karthikeyan, Mano Chitra; Bhuvanesh, Nattamai; Arockiam, Antony Joseph Velanganni; Karvembu, Ramasamy","Synthesis of sulfanyl derivatives of 1,2,4-triazoles via an acid catalyzed intramolecular cyclization of isothiosemicarbazones: structural characterization, E/Z isomerism, mechanistic insights and in vitro cytotoxicity","RSC Advances","2026","16","15","13433","13446","10.1039/D6RA00822D","","x-ray","1.54184","CuKα","","0.0226","0.0225","","","0.0596","0.0597","","","","","","1.067","","","","has coordinates","305035","2026-03-11","04:18:45",""
"7251787","11.9421","0.0002","15.4721","0.0002","15.7074","0.0002","86.006","0.001","89.785","0.001","70.514","0.001","2728.78","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C62.5 H50 Cl Ir2 N6 O6 -","- C61 H47 Ir2 N6 O3 -","- C122 H94 Ir4 N12 O6 -","2","1","","Mausami,; Trivedi, Harshita; Patra, Ranjan; Behere, Ravi Prakash; Kuila, Biplab; Singh Patel, Sandeep Kumar; Pandey, Mrituanjay D.; Maiti, Biswajit; Mahanti, Bani","Cyclometalated Ir(iii) complexes bridged by µ-OH and µ-3,5-bis(4-methoxyphenyl)-pyrazole ligands","RSC Advances","2026","16","15","13358","13368","10.1039/D6RA00878J","","x-ray","1.54184","CuKα","","0.066","0.0615","","","0.1778","0.184","","","","","","1.076","","","","has coordinates,has disorder","305036","2026-03-11","04:19:11",""
"7251788","9.66347","0.00014","27.2681","0.0003","9.86176","0.00018","90","","115.374","0.002","90","","2347.93","0.07","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H23 O P -","- C32 H23 O P -","- C128 H92 O4 P4 -","4","1","","Konno, Ryunosuke; Fujita, Manami; Maekawa, Rima; Masu, Hyuma; Katagiri, Kosuke","Preparation of phosphine oxides with anthrylphenyl, pyrenylphenyl, anthrylethynyl, and pyrenylethynyl groups: luminescence properties and conformational polymorphs","CrystEngComm","2026","28","15","2455","2467","10.1039/D5CE00837A","","x-ray","1.54184","CuKα","","0.0398","0.0361","","","0.0929","0.0952","","","","","","1.059","","","","has coordinates","305797","2026-05-05","09:05:07",""
"7251789","9.88921","0.00008","23.15594","0.00018","8.93733","0.00007","90","","92.3493","0.0007","90","","2044.87","0.03","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H19 O P -","- C28 H19 O P -","- C112 H76 O4 P4 -","4","1","","Konno, Ryunosuke; Fujita, Manami; Maekawa, Rima; Masu, Hyuma; Katagiri, Kosuke","Preparation of phosphine oxides with anthrylphenyl, pyrenylphenyl, anthrylethynyl, and pyrenylethynyl groups: luminescence properties and conformational polymorphs","CrystEngComm","2026","28","15","2455","2467","10.1039/D5CE00837A","","x-ray","1.54184","CuKα","","0.0405","0.039","","","0.1103","0.1119","","","","","","1.048","","","","has coordinates","305797","2026-05-05","09:05:07",""
"7251790","9.90452","0.00011","19.8613","0.0002","11.16039","0.00011","90","","100.325","0.001","90","","2159.89","0.04","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H19 O P -","- C30 H19 O P -","- C120 H76 O4 P4 -","4","1","","Konno, Ryunosuke; Fujita, Manami; Maekawa, Rima; Masu, Hyuma; Katagiri, Kosuke","Preparation of phosphine oxides with anthrylphenyl, pyrenylphenyl, anthrylethynyl, and pyrenylethynyl groups: luminescence properties and conformational polymorphs","CrystEngComm","2026","28","15","2455","2467","10.1039/D5CE00837A","","x-ray","1.54184","CuKα","","0.0414","0.0395","","","0.1068","0.1083","","","","","","1.031","","","","has coordinates","305797","2026-05-05","09:05:07",""
"7251791","8.70743","0.00011","11.37805","0.00014","21.6228","0.0003","90","","95.787","0.0011","90","","2131.33","0.05","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H19 O P -","- C30 H19 O P -","- C120 H76 O4 P4 -","4","1","","Konno, Ryunosuke; Fujita, Manami; Maekawa, Rima; Masu, Hyuma; Katagiri, Kosuke","Preparation of phosphine oxides with anthrylphenyl, pyrenylphenyl, anthrylethynyl, and pyrenylethynyl groups: luminescence properties and conformational polymorphs","CrystEngComm","2026","28","15","2455","2467","10.1039/D5CE00837A","","x-ray","1.54184","CuKα","","0.0505","0.0458","","","0.1337","0.1377","","","","","","1.109","","","","has coordinates","305797","2026-05-05","09:05:07",""
"7251792","9.8161","0.0008","10.1226","0.0005","11.6958","0.0009","109.508","0.005","99.186","0.007","93.455","0.006","1073.3","0.14","298","","298","","","","","","","","","4","P -1","-P 1","2","","","","- C28 H19 O P -","- C28 H19 O P -","- C56 H38 O2 P2 -","2","1","","Konno, Ryunosuke; Fujita, Manami; Maekawa, Rima; Masu, Hyuma; Katagiri, Kosuke","Preparation of phosphine oxides with anthrylphenyl, pyrenylphenyl, anthrylethynyl, and pyrenylethynyl groups: luminescence properties and conformational polymorphs","CrystEngComm","2026","28","15","2455","2467","10.1039/D5CE00837A","","x-ray","1.54184","CuKα","","0.1137","0.0809","","","0.2471","0.3249","","","","","","1.184","","","","has coordinates","305797","2026-05-05","09:05:07",""
"7251793","17.2834","0.0004","9.4529","0.0002","14.7171","0.0003","90","","99.788","0.002","90","","2369.45","0.09","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H23 O P -","- C34 H23 O P -","- C136 H92 O4 P4 -","4","1","","Konno, Ryunosuke; Fujita, Manami; Maekawa, Rima; Masu, Hyuma; Katagiri, Kosuke","Preparation of phosphine oxides with anthrylphenyl, pyrenylphenyl, anthrylethynyl, and pyrenylethynyl groups: luminescence properties and conformational polymorphs","CrystEngComm","2026","28","15","2455","2467","10.1039/D5CE00837A","","x-ray","1.54184","CuKα","","0.046","0.0382","","","0.1282","0.1352","","","","","","1.049","","","","has coordinates","305797","2026-05-05","09:05:07",""
"7251794","16.156","0.003","17.388","0.003","18.641","0.003","106.359","0.003","105.492","0.002","90.897","0.003","4818.6","1.5","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C176 H230 Au25 N S18 -","- C176 H230 Au25 N S18 -","- C176 H230 Au25 N S18 -","1","0.5","","Ren, Wen-Wen; Lee, Yuhsuan; Cao, Li-Jia; Bai, Shu-Ming; Gao, Song; Zhou, Li-Nan","Quenching of singlet oxygen plays a decisive role in the efficiency and stability of ligand-protected Au clusters for photocatalytic oxidation","Green Chemistry","2026","28","14","6468","6476","10.1039/D5GC05797C","","","0.71073","MoKα","","0.053","0.0314","","","0.0569","0.0614","","","","","","0.944","","","","has coordinates,has disorder","306448","2026-06-05","19:22:22",""
"7251795","6.00275","0.00008","6.65883","0.00006","8.48721","0.0001","74.6832","0.0009","74.3039","0.0011","81.0102","0.0009","313.677","0.007","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C2 H6 Cd O7 -","- C2 H6 Cd O7 -","- C4 H12 Cd2 O14 -","2","1","","Ahmed, Azaz; Ahmad, Musheer; Thakur, Chandrakant; Kumar, Astakala Anil; Lee, Nohyun; Haq, Nazrul; Siddiqui, Kafeel Ahmad","NiS2-integrated Cd-oxalate MOF: a multifunctional platform for selective 2,4-D amine sensing and efficient NR/EBT photodegradation","CrystEngComm","2026","28","15","2333","2354","10.1039/D5CE01183C","","x-ray","0.71073","MoKα","","0.028","0.0268","","","0.0707","0.0745","","","","","","1.0715","","","","has coordinates","305792","2026-05-05","09:04:36",""
"7251796","10.3703","0.0003","20.9368","0.0007","18.2449","0.0005","90","","90.782","0.001","90","","3961","0.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38 H34 Cl2 Mn2 N4 O6 S2 -","- C38 H34 Cl2 Mn2 N4 O6 S2 -","- C152 H136 Cl8 Mn8 N16 O24 S8 -","4","1","","Das, Devangana; Saravanan, Nivas; Kumar, Abhishek; Krishnaswamy, Shobhana; Dhayalan, Arunkumar; Manimaran, Bala.","Manganese(i) based NN∩SS bis-chelated homo-binuclear metallacycles: synthesis, spectral, crystallographic, anticancer potential and molecular docking studies","RSC Advances","2026","16","15","13812","13820","10.1039/D6RA00337K","","","0.71073","MoKα","","0.0545","0.0443","","","0.096","0.1003","","","","","","1.1","","","","has coordinates","305068","2026-03-13","02:30:58",""
"7251797","12.1789","0.0009","34.017","0.002","13.7034","0.0009","90","","106.976","0.003","90","","5429.8","0.6","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H48 N8 O16 Ti4 -","- C48 H48 N8 O16 Ti4 -","- C192 H192 N32 O64 Ti16 -","4","1","","Wang, Qi; Li, Haoran; Jin, Xinuo; Gao, Wendi; Peng, Hui; Cai, Yuqing; Zi, Wenwen; Yin, Wenyu; Hou, Jinle; Sun, Di","A family of 2,8-quinolinediol-functionalized titanium-oxo clusters with tunable photoelectric properties","CrystEngComm","2026","28","15","2373","2381","10.1039/D6CE00092D","","","1.54178","CuKα","","0.0811","0.0587","","","0.1533","0.1703","","","","","","1.026","","","","has coordinates","305796","2026-05-05","09:04:58",""
"7251798","11.8028","0.0006","14.1791","0.0009","21.4908","0.0015","101.187","0.006","99.125","0.005","97.103","0.005","3439","0.4","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C45 H95 N O24 Ti7 -","- C45 H94.9976 N O24 Ti7 -","- C90 H189.995 N2 O48 Ti14 -","2","1","","Wang, Qi; Li, Haoran; Jin, Xinuo; Gao, Wendi; Peng, Hui; Cai, Yuqing; Zi, Wenwen; Yin, Wenyu; Hou, Jinle; Sun, Di","A family of 2,8-quinolinediol-functionalized titanium-oxo clusters with tunable photoelectric properties","CrystEngComm","2026","28","15","2373","2381","10.1039/D6CE00092D","","x-ray","0.71073","MoKα","","0.1519","0.0896","","","0.237","0.2827","","","","","","1.104","","","","has coordinates,has disorder","305796","2026-05-05","09:04:58",""
"7251799","12.2092","0.0018","14.93","0.002","14.963","0.002","88.874","0.003","70.367","0.003","72.202","0.003","2435.5","0.6","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C44 H44 N4 O18 Ti5 -","- C44 H44 N4 O18 Ti5 -","- C88 H88 N8 O36 Ti10 -","2","1","","Wang, Qi; Li, Haoran; Jin, Xinuo; Gao, Wendi; Peng, Hui; Cai, Yuqing; Zi, Wenwen; Yin, Wenyu; Hou, Jinle; Sun, Di","A family of 2,8-quinolinediol-functionalized titanium-oxo clusters with tunable photoelectric properties","CrystEngComm","2026","28","15","2373","2381","10.1039/D6CE00092D","","","0.71073","MoKα","","0.1225","0.0719","","","0.1953","0.2958","","","","","","1.066","","","","has coordinates","305796","2026-05-05","09:04:58",""
"7251800","4.2749","0.0001","17.9506","0.0004","30.5282","0.0008","90","","90.086","0.002","90","","2342.64","0.1","100","0.3","100","0.3","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C18 H14 F3 I3 N4 O4 Pd -","- C18 H14 F3 I3 N4 O4 Pd -","- C72 H56 F12 I12 N16 O16 Pd4 -","4","0.5","","Abulkhaev, Jacob U.; Semenov, Artem V.; Ivanov, Daniil M.; Ignatov, Eugene V.; Baykov, Sergey V.; Bokach, Nadezhda A.","Palladium(ii) complexes of 5-acetylmethyl-1,2,4-oxadiazole: versatile ditopic acceptors for halogen bonding","CrystEngComm","2026","28","15","2443","2454","10.1039/D6CE00085A","","x-ray","1.54184","CuKα","","0.0602","0.044","","","0.117","0.1249","","","","","","1.061","","","","has coordinates","306369","2026-06-05","18:49:56",""
"7251801","6.0196","0.0002","10.5726","0.0005","11.3896","0.0005","80.628","0.004","88.278","0.003","76.719","0.004","696.04","0.05","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H18 F4 I2 N4 O4 Pd -","- C28 H18 F4 I2 N4 O4 Pd -","- C28 H18 F4 I2 N4 O4 Pd -","1","0.5","","Abulkhaev, Jacob U.; Semenov, Artem V.; Ivanov, Daniil M.; Ignatov, Eugene V.; Baykov, Sergey V.; Bokach, Nadezhda A.","Palladium(ii) complexes of 5-acetylmethyl-1,2,4-oxadiazole: versatile ditopic acceptors for halogen bonding","CrystEngComm","2026","28","15","2443","2454","10.1039/D6CE00085A","","x-ray","0.71073","MoKα","","0.0498","0.0397","","","0.0956","0.1026","","","","","","1.058","","","","has coordinates","306369","2026-06-05","18:49:56",""
"7251802","5.2758","0.0003","10.394","0.0013","11.6124","0.0008","89.207","0.008","78.929","0.005","75.569","0.007","604.83","0.1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H18 F4 I2 N4 O4 Pd -","- C20 H18 F4 I2 N4 O4 Pd -","- C20 H18 F4 I2 N4 O4 Pd -","1","0.5","","Abulkhaev, Jacob U.; Semenov, Artem V.; Ivanov, Daniil M.; Ignatov, Eugene V.; Baykov, Sergey V.; Bokach, Nadezhda A.","Palladium(ii) complexes of 5-acetylmethyl-1,2,4-oxadiazole: versatile ditopic acceptors for halogen bonding","CrystEngComm","2026","28","15","2443","2454","10.1039/D6CE00085A","","","0.71073","MoKα","","0.0288","0.0243","","","0.0538","0.0567","","","","","","1.0689","","","","has coordinates","306369","2026-06-05","18:49:56",""
"7251803","23.2456","0.0012","23.2456","0.0012","16.2338","0.0011","90","","90","","120","","7596.8","0.8","200","","200","","","","","","","","","7","P -3 c 1","-P 3 2""c","165","","","","- C20 H24 Cl2 F4 N6 O8 Zr -","- C20 H24 Cl2 F4 N6 O8 Zr -","- C120 H144 Cl12 F24 N36 O48 Zr6 -","6","0.5","","Liu, Yuxin; Shao, Zhen-Wu; Duan, Xiangping; Xiong, Chaozhi; Li, Xiaoting; Liu, Chong","Substituent effects in the crystallization of Zr-hydroxamate metal–organic frameworks","CrystEngComm","2026","28","14","2120","2124","10.1039/D6CE00114A","","x-ray","1.54178","CuKα","","0.0559","0.0466","","","0.1313","0.1372","","","","","","1.024","","","","has coordinates,has disorder","305790","2026-05-05","09:04:16",""
"7251804","16.505","0.004","16.505","0.004","15.103","0.005","90","","90","","90","","4114","2","237","","237","","","","","","","","","6","I 4/m c m","-I 4 2c","140","","","","- C32 H16 Br8 N8 O16 Zr2 -","- C32 H16 Br8 N8 O16 Zr2 -","- C64 H32 Br16 N16 O32 Zr4 -","2","0.0625","","Liu, Yuxin; Shao, Zhen-Wu; Duan, Xiangping; Xiong, Chaozhi; Li, Xiaoting; Liu, Chong","Substituent effects in the crystallization of Zr-hydroxamate metal–organic frameworks","CrystEngComm","2026","28","14","2120","2124","10.1039/D6CE00114A","","x-ray","0.71073","MoKα","","0.0904","0.0834","","","0.2467","0.2536","","","","","","1.145","","","","has coordinates,has disorder","305790","2026-05-05","09:04:16",""
"7251805","15.3299","0.0007","17.5645","0.0007","14.9948","0.0009","90","","90","","90","","4037.5","0.3","100","0.1","100","0.1","","","","","","","","6","I b a m","-I 2 2c","72","","","","- C22 H22 Cl6 N6 O10 Zr -","- C22 H22 Cl6 N6 O10 Zr -","- C88 H88 Cl24 N24 O40 Zr4 -","4","0.25","","Liu, Yuxin; Shao, Zhen-Wu; Duan, Xiangping; Xiong, Chaozhi; Li, Xiaoting; Liu, Chong","Substituent effects in the crystallization of Zr-hydroxamate metal–organic frameworks","CrystEngComm","2026","28","14","2120","2124","10.1039/D6CE00114A","","x-ray","1.54184","CuKα","","0.1374","0.1355","","","0.3377","0.338","","","","","","1.183","","","","has coordinates,has disorder","305790","2026-05-05","09:04:16",""
"7251806","8.1244","0.0009","10.3705","0.0008","26.277","0.002","80.405","0.007","86.616","0.009","88.202","0.007","2178.6","0.3","175","5","175","5","","","","","","","","5","P -1","-P 1","2","","","","- C21 H18 N6 O5 S -","- C21 H18 N6 O5 S -","- C84 H72 N24 O20 S4 -","4","2","","Danks, Jacob; Rainer, Daniel N.; Hamza, Ahmed S.; Coles, Simon J.; Carter, Anthony B.; Benson, Joseph E. G.","High-throughput co-former screening and structural elucidation using resonant acoustic mixing and 3D electron diffraction","CrystEngComm","2026","28","13","2018","2022","10.1039/D5CE01188D","single crystal","electron","0.0251","electron","","0.1995","0.1325","","","0.3723","0.4243","","","","","","1.0157","","","","has coordinates,has disorder","305340","2026-04-05","11:58:20",""
"7251807","19.4997","0.0019","6.2871","0.0003","19.695","0.002","90","","106.129","0.013","90","","2319.5","0.4","175","5","175","5","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C23 H20 N6 O5 S -","- C23 H20 N6 O5 S -","- C92 H80 N24 O20 S4 -","4","1","","Danks, Jacob; Rainer, Daniel N.; Hamza, Ahmed S.; Coles, Simon J.; Carter, Anthony B.; Benson, Joseph E. G.","High-throughput co-former screening and structural elucidation using resonant acoustic mixing and 3D electron diffraction","CrystEngComm","2026","28","13","2018","2022","10.1039/D5CE01188D","single crystal","electron","0.0251","electron","","0.1908","0.1499","","","0.3812","0.4054","","","","","","1.0532","","","","has coordinates","305340","2026-04-05","11:58:20",""
"7251808","6.90572","0.00012","7.69426","0.00016","12.1634","0.0002","86.3588","0.0016","88.5344","0.0015","88.8594","0.0016","644.67","0.02","100","0.1","100","0.1","","","","","","","","4","P 1","P 1","1","","Pregbalin-Vanillic Acid Cocrystal","","- C24 H42 N2 O8 -","- C24 H42 N2 O8 -","- C24 H42 N2 O8 -","1","1","","Ren, Jiaxuan; Wu, Di; Feng, Yaoguang; Zhang, Man; Yuan, Jiahui; Wang, Na; Wang, Ting; Huang, Xin; Hao, Hongxun","Synthesis, characterization and structure–activity relationship of novel pregabalin cocrystals with sustained-release performance","CrystEngComm","2026","28","17","2815","2834","10.1039/D6CE00023A","","x-ray","1.54184","CuKα","","0.0223","0.0221","","","0.0591","0.0592","","","","","","1.05","","","","has coordinates","306357","2026-06-05","18:46:01",""
"7251809","6.3748","0.0001","7.7152","0.0001","34.3678","0.0003","90","","90","","90","","1690.31","0.04","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Pregbalin-Cinnamic Acid Cocrystal","","- C17 H25 N O4 -","- C17 H25 N O4 -","- C68 H100 N4 O16 -","4","1","","Ren, Jiaxuan; Wu, Di; Feng, Yaoguang; Zhang, Man; Yuan, Jiahui; Wang, Na; Wang, Ting; Huang, Xin; Hao, Hongxun","Synthesis, characterization and structure–activity relationship of novel pregabalin cocrystals with sustained-release performance","CrystEngComm","2026","28","17","2815","2834","10.1039/D6CE00023A","","x-ray","1.54184","CuKα","","0.0238","0.0235","","","0.0623","0.0625","","","","","","1.042","","","","has coordinates","306357","2026-06-05","18:46:01",""
"7251810","6.54204","0.00004","7.72068","0.00006","31.8964","0.0002","90","","90","","90","","1611.06","0.019","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Pregbalin-p-Methylbenzoic Acid Cocrystal","","- C16 H25 N O4 -","- C16 H25 N O4 -","- C64 H100 N4 O16 -","4","1","","Ren, Jiaxuan; Wu, Di; Feng, Yaoguang; Zhang, Man; Yuan, Jiahui; Wang, Na; Wang, Ting; Huang, Xin; Hao, Hongxun","Synthesis, characterization and structure–activity relationship of novel pregabalin cocrystals with sustained-release performance","CrystEngComm","2026","28","17","2815","2834","10.1039/D6CE00023A","","x-ray","1.54184","CuKα","","0.0238","0.0238","","","0.063","0.0631","","","","","","1.078","","","","has coordinates","306357","2026-06-05","18:46:01",""
"7251811","5.614","0.0004","20.5904","0.0012","15.3143","0.001","90","","91.119","0.006","90","","1769.9","0.2","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","TPD-F13","","- C18 H18 Cl N O4 S -","- C18 H18 Cl N O4 S -","- C72 H72 Cl4 N4 O16 S4 -","4","1","","Saha, Agantuk; Sunanda,; Choudhury, Angshuman Roy","Synthesis and structural characterization of novel salts of ticlopidine with enhanced solubility and dissolution rate","CrystEngComm","2026","28","19","3046","3055","10.1039/D6CE00015K","","","0.71073","MoKα","","0.0695","0.0554","","","0.1566","0.1673","","","","","","1.096","","","","has coordinates","306359","2026-06-05","18:48:30",""
"7251812","12.294","0.001","17.3974","0.0014","10.2345","0.001","90","","104.138","0.009","90","","2122.7","0.3","298","1","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","TPD-64","","- C22 H22 Cl N O3 S -","- C22 H22 Cl N O3 S -","- C88 H88 Cl4 N4 O12 S4 -","4","1","","Saha, Agantuk; Sunanda,; Choudhury, Angshuman Roy","Synthesis and structural characterization of novel salts of ticlopidine with enhanced solubility and dissolution rate","CrystEngComm","2026","28","19","3046","3055","10.1039/D6CE00015K","","","0.71073","MoKα","","0.1485","0.0593","","","0.1444","0.1983","","","","","","0.998","","","","has coordinates","306359","2026-06-05","18:48:30",""
"7251813","7.1742","0.0002","20.222","0.0004","10.1873","0.0002","90","","100.812","0.002","90","","1451.7","0.06","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H19 B N2 O4 -","- C13 H19 B N2 O4 -","- C52 H76 B4 N8 O16 -","4","1","","Chen, Zhi-Hao; Lin, Shuang; Kang, Xinman; Huang, Jiawu; Qian, Jiasheng; Li, Qingjiang; Wang, Honggen","β-Boron or β-silicon effect enables a regioselective Ni-catalyzed hydrocyanation of internal alkynes","Green Chemistry","2026","28","16","7040","7048","10.1039/D6GC00727A","","x-ray","1.54184","CuKα","","0.0506","0.0451","","","0.1204","0.1254","","","","","","1.066","","","","has coordinates","306444","2026-06-05","19:22:09",""
"7251814","10.101","0.003","11.843","0.003","7.0691","0.0019","90","","105.308","0.006","90","","815.6","0.4","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C7 H7 Cu N O6 -","- C7 H7 Cu N O6 -","- C28 H28 Cu4 N4 O24 -","4","0.5","","Shahbaz, Muhammad; Riasat, Madiha; Ullah, Ghulam; Mushtaq, Muhammad Waheed; Saeed, Maham; Shahzad, Sundas; Shahzad, Ayesha; Mustafa, Zeeshan; Şahin, Onur; Sharif, Shahzad","Tuning the electrochemical performance of a copper-based 2D rectangular layered metal organic framework by incorporating reduced graphene oxide and polyaniline","RSC Advances","2026","16","17","15036","15050","10.1039/D5RA05415J","","","0.71073","MoKα","","0.0414","0.0405","","","0.1144","0.1158","","","","","","1.103","","","","has coordinates","305122","2026-03-18","02:26:00",""
"7251815","6.7775","0.0007","9.2688","0.0009","15.8288","0.0016","104.947","0.001","101.677","0.001","93.152","0.001","934.77","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H18 In N4 O8 -","- C15 H18 In N4 O8 -","- C30 H36 In2 N8 O16 -","2","1","","Yang, Changmeng; Bai, Yingxiang; Shen, Ruwei; Zhu, Dunru","Atom orientation in SBU-induced conformational isomerism in hydroxamate-based In-MOFs","CrystEngComm","2026","28","18","2927","2936","10.1039/D6CE00133E","","","0.71073","MoKα","","0.0409","0.0346","","","0.0909","0.0936","","","","","","1.069","","","","has coordinates","306371","2026-06-05","18:50:18",""
"7251816","10.9343","0.0002","14.2921","0.0002","12.3625","0.0002","90","","107.711","0.002","90","","1840.37","0.06","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H16 In N5 O8 -","- C16 H16 In N5 O8 -","- C64 H64 In4 N20 O32 -","4","0.5","","Yang, Changmeng; Bai, Yingxiang; Shen, Ruwei; Zhu, Dunru","Atom orientation in SBU-induced conformational isomerism in hydroxamate-based In-MOFs","CrystEngComm","2026","28","18","2927","2936","10.1039/D6CE00133E","","","1.54184","CuKα","","0.0407","0.0404","","","0.1213","0.1215","","","","","","1.089","","","","has coordinates,has disorder","306371","2026-06-05","18:50:18",""
"7251817","7.085","0.007","11.276","0.011","14.66","0.014","69.137","0.009","80.529","0.01","89.638","0.01","1077.7","1.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H17 In N3 O10 -","- C12 H17 In N3 O10 -","- C24 H34 In2 N6 O20 -","2","1","","Yang, Changmeng; Bai, Yingxiang; Shen, Ruwei; Zhu, Dunru","Atom orientation in SBU-induced conformational isomerism in hydroxamate-based In-MOFs","CrystEngComm","2026","28","18","2927","2936","10.1039/D6CE00133E","","","0.71073","MoKα","","0.0892","0.061","","","0.1497","0.1617","","","","","","1.025","","","","has coordinates,has disorder","306371","2026-06-05","18:50:18",""
"7251818","16.736","0.0004","4.91439","0.00011","21.9254","0.0005","90","","98.24","0.002","90","","1784.69","0.07","200","0.1","200","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H20 N4 O5 -","- C17 H20 N4 O5 -","- C68 H80 N16 O20 -","4","1","","Marasinghe, Aloka A.; Averkiev, Boris B.; Aakeröy, Christer B.","Modulating some photophysical properties of cocrystals","CrystEngComm","2026","28","16","2548","2559","10.1039/D6CE00063K","","x-ray","1.54184","CuKα","","0.0674","0.0493","","","0.1331","0.1508","","","","","","1.039","","","","has coordinates","305788","2026-05-05","09:03:51",""
"7251819","20.1578","0.0005","4.90086","0.00014","32.5043","0.0009","90","","90.875","0.002","90","","3210.74","0.15","297","1","297","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H37 N7 O8 -","- C29 H37 N7 O8 -","- C116 H148 N28 O32 -","4","1","","Marasinghe, Aloka A.; Averkiev, Boris B.; Aakeröy, Christer B.","Modulating some photophysical properties of cocrystals","CrystEngComm","2026","28","16","2548","2559","10.1039/D6CE00063K","","x-ray","1.54184","CuKα","","0.0994","0.0538","","","0.1407","0.1726","","","","","","1.018","","","","has coordinates","305788","2026-05-05","09:03:51",""
"7251820","24.8829","0.0008","6.1032","0.0002","23.3288","0.0012","90","","100.391","0.004","90","","3484.7","0.2","295","0.4","295","0.4","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H20 N4 O5 -","- C17 H20 N4 O5 -","- C136 H160 N32 O40 -","8","1","","Marasinghe, Aloka A.; Averkiev, Boris B.; Aakeröy, Christer B.","Modulating some photophysical properties of cocrystals","CrystEngComm","2026","28","16","2548","2559","10.1039/D6CE00063K","","x-ray","1.54184","CuKα","","0.0938","0.0655","","","0.1849","0.2083","","","","","","1.048","","","","has coordinates","305788","2026-05-05","09:03:51",""
"7251821","12.5882","0.0002","5.1749","0.00007","23.3666","0.0004","90","","91.8814","0.0016","90","","1521.34","0.04","200","0.1","200","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H16 N4 O5 -","- C15 H16 N4 O5 -","- C60 H64 N16 O20 -","4","1","","Marasinghe, Aloka A.; Averkiev, Boris B.; Aakeröy, Christer B.","Modulating some photophysical properties of cocrystals","CrystEngComm","2026","28","16","2548","2559","10.1039/D6CE00063K","","x-ray","1.54184","CuKα","","0.0554","0.0443","","","0.1044","0.1091","","","","","","1.084","","","","has coordinates","305788","2026-05-05","09:03:51",""
"7251822","6.42159","0.00009","12.65205","0.00014","13.02701","0.00017","76.6124","0.001","75.8298","0.0012","80.7872","0.001","992.29","0.02","200","0.1","200","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C20 H26 N4 O5 -","- C20 H26 N4 O5 -","- C40 H52 N8 O10 -","2","1","","Marasinghe, Aloka A.; Averkiev, Boris B.; Aakeröy, Christer B.","Modulating some photophysical properties of cocrystals","CrystEngComm","2026","28","16","2548","2559","10.1039/D6CE00063K","","x-ray","1.54184","CuKα","","0.0408","0.0391","","","0.114","0.1156","","","","","","1.081","","","","has coordinates","305788","2026-05-05","09:03:51",""
"7251823","6.15171","0.00012","12.3495","0.0004","12.6749","0.0004","73.875","0.003","79.965","0.002","76.405","0.002","892.97","0.05","295.9","0.3","295.9","0.3","","","","","","","","4","P -1","-P 1","2","","","","- C17 H20 N4 O5 -","- C17 H20 N4 O5 -","- C34 H40 N8 O10 -","2","1","","Marasinghe, Aloka A.; Averkiev, Boris B.; Aakeröy, Christer B.","Modulating some photophysical properties of cocrystals","CrystEngComm","2026","28","16","2548","2559","10.1039/D6CE00063K","","x-ray","1.54184","CuKα","","0.0453","0.0426","","","0.1253","0.1287","","","","","","1.078","","","","has coordinates","305788","2026-05-05","09:03:51",""
"7251824","5.8059","0.0004","11.8005","0.001","12.9057","0.0016","73.991","0.009","78.882","0.009","78.277","0.007","823.35","0.14","200","0.1","200","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C16 H18 N4 O5 -","- C16 H18 N4 O5 -","- C32 H36 N8 O10 -","2","1","","Marasinghe, Aloka A.; Averkiev, Boris B.; Aakeröy, Christer B.","Modulating some photophysical properties of cocrystals","CrystEngComm","2026","28","16","2548","2559","10.1039/D6CE00063K","","x-ray","1.54184","CuKα","","0.0555","0.0495","","","0.1439","0.1498","","","","","","1.057","","","","has coordinates","305788","2026-05-05","09:03:51",""
"7251825","6.21761","0.00015","12.5048","0.0002","12.7578","0.0004","79.345","0.002","78.28","0.003","80.4467","0.0017","945.96","0.04","200","0.1","200","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C18 H22 N4 O5 -","- C18 H22 N4 O5 -","- C36 H44 N8 O10 -","2","1","","Marasinghe, Aloka A.; Averkiev, Boris B.; Aakeröy, Christer B.","Modulating some photophysical properties of cocrystals","CrystEngComm","2026","28","16","2548","2559","10.1039/D6CE00063K","","x-ray","1.54184","CuKα","","0.0402","0.0375","","","0.1073","0.1092","","","","","","1.103","","","","has coordinates","305788","2026-05-05","09:03:51",""
"7251826","6.35274","0.00015","12.46903","0.00018","12.9378","0.0003","97.3653","0.0016","103.862","0.002","99.5009","0.0015","966.17","0.04","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H24 N4 O5 -","- C19 H24 N4 O5 -","- C38 H48 N8 O10 -","2","1","","Marasinghe, Aloka A.; Averkiev, Boris B.; Aakeröy, Christer B.","Modulating some photophysical properties of cocrystals","CrystEngComm","2026","28","16","2548","2559","10.1039/D6CE00063K","","","1.54184","CuKα","","0.0412","0.039","","","0.1136","0.1162","","","","","","1.083","","","","has coordinates","305788","2026-05-05","09:03:51",""
"7251827","31.456","0.017","24.499","0.013","29.263","0.016","90","","106.554","0.009","90","","21617","2","193","","193","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C204 H138 N24 O24 Re6 Ru3 -","- C204 H138 N24 O24 Re6 Ru3 -","- C816 H552 N96 O96 Re24 Ru12 -","4","1","","Li, Yan-ni; Du, Yan-xin; Liu, Hao; Zhu, Yi-jie; Deng, Fan; Xu, Qin-feng","A turn-on AIE sensor for nanomolar detection of perrhenate in aqueous media","RSC Advances","2026","16","19","16759","16766","10.1039/D6RA01192F","","x-ray","0.71073","MoKα","","0.1774","0.1494","","","0.3459","0.3604","","","","","","1.23","","","","has coordinates,has disorder","305195","2026-03-27","02:34:05",""
"7251828","6.4991","0.0014","7.4621","0.0016","9.0329","0.0018","106.411","0.019","94.875","0.018","96.013","0.018","414.88","0.16","117.3","0.2","117.3","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H12 Fe N10 -","- C14 H12 Fe N10 -","- C14 H12 Fe N10 -","1","0.5","","Zhang, Yuqi; Yao, Yuan; Dou, Peihao; Cheng, Qing; Zhang, Yanqiang","Catalytic ignition of the [BMIM]DCA-H2O2 propellant with the Cu(vim)2(DCA)2 complex","RSC Advances","2026","16","18","16748","16755","10.1039/D6RA00294C","","x-ray","0.71073","MoKα","","0.1197","0.0787","","","0.1198","0.1446","","","","","","0.999","","","","has coordinates","305196","2026-03-27","02:34:22",""
"7251829","6.5205","0.0016","7.4284","0.0017","8.7894","0.0019","105.14","0.019","96.923","0.019","95.675","0.019","404.16","0.17","118.2","0.4","118.2","0.4","","","","","","","","4","P -1","-P 1","2","","","","- C14 H12 Cu N10 -","- C14 H12 Cu N10 -","- C14 H12 Cu N10 -","1","0.5","","Zhang, Yuqi; Yao, Yuan; Dou, Peihao; Cheng, Qing; Zhang, Yanqiang","Catalytic ignition of the [BMIM]DCA-H2O2 propellant with the Cu(vim)2(DCA)2 complex","RSC Advances","2026","16","18","16748","16755","10.1039/D6RA00294C","","x-ray","0.71073","MoKα","","0.0559","0.0488","","","0.0946","0.1034","","","","","","1.083","","","","has coordinates","305196","2026-03-27","02:34:22",""
"7251830","7.311","0.002","16.584","0.005","14.201","0.004","90","","90","","90","","1721.8","0.9","117.7","0.1","117.7","0.1","","","","","","","","4","C m c e","-C 2ac 2","64","","","","- C14 H12 Co N10 -","- C14 H12 Co N10 -","- C56 H48 Co4 N40 -","4","0.25","","Zhang, Yuqi; Yao, Yuan; Dou, Peihao; Cheng, Qing; Zhang, Yanqiang","Catalytic ignition of the [BMIM]DCA-H2O2 propellant with the Cu(vim)2(DCA)2 complex","RSC Advances","2026","16","18","16748","16755","10.1039/D6RA00294C","","x-ray","0.71073","MoKα","","0.0963","0.079","","","0.2092","0.2291","","","","","","1.108","","","","has coordinates","305196","2026-03-27","02:34:22",""
"7251831","6.5511","0.0007","7.5013","0.0008","8.9897","0.0008","104.611","0.008","94.881","0.008","95.641","0.008","422.63","0.08","117.6","0.1","117.6","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C14 H12 Mn N10 -","- C14 H12 Mn N10 -","- C14 H12 Mn N10 -","1","0.5","","Zhang, Yuqi; Yao, Yuan; Dou, Peihao; Cheng, Qing; Zhang, Yanqiang","Catalytic ignition of the [BMIM]DCA-H2O2 propellant with the Cu(vim)2(DCA)2 complex","RSC Advances","2026","16","18","16748","16755","10.1039/D6RA00294C","","x-ray","0.71073","MoKα","","0.0485","0.0411","","","0.0794","0.0874","","","","","","1.1","","","","has coordinates","305196","2026-03-27","02:34:22",""
"7251832","12.2364","0.001","15.9167","0.0013","21.4647","0.0016","90","","90","","90","","4180.5","0.6","100","2","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20.5 H32 Cl2 O3 -","- C20.5 H32 Cl2 O3 -","- C164 H256 Cl16 O24 -","8","2","","Gerasimova, Daria P.; Zakharychev, Dmitry V.; Saifina, Alina F.; Fayzullin, Robert R.; Lodochnikova, Olga A.","Solvent-controlled stereoselective supramolecular synthesis: a case of diastereomeric dimers of 16-S-dihydrosteviol","CrystEngComm","2026","28","18","2995","3007","10.1039/D6CE00081A","","x-ray","0.71073","MoKα","","0.0514","0.0504","","","0.1317","0.1326","","","","","","1.099","","","","has coordinates","306373","2026-06-05","18:50:25",""
"7251833","12.0811","0.0007","14.7248","0.0008","20.1145","0.0011","90","","90","","90","","3578.2","0.3","100","2","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H32 O3 -","- C20 H32 O3 -","- C160 H256 O24 -","8","2","","Gerasimova, Daria P.; Zakharychev, Dmitry V.; Saifina, Alina F.; Fayzullin, Robert R.; Lodochnikova, Olga A.","Solvent-controlled stereoselective supramolecular synthesis: a case of diastereomeric dimers of 16-S-dihydrosteviol","CrystEngComm","2026","28","18","2995","3007","10.1039/D6CE00081A","","x-ray","0.71073","MoKα","","0.0693","0.0521","","","0.1146","0.1212","","","","","","1.046","","","","has coordinates","306373","2026-06-05","18:50:25",""
"7251834","21.58","0.004","7.2369","0.0013","22.829","0.004","90","","98.164","0.014","90","","3529.1","1.1","101","2","101","2","","","","","","","","3","I 1 2 1","I 2y","5","","","","- C20 H32 O3 -","- C20 H32 O3 -","- C160 H256 O24 -","8","2","","Gerasimova, Daria P.; Zakharychev, Dmitry V.; Saifina, Alina F.; Fayzullin, Robert R.; Lodochnikova, Olga A.","Solvent-controlled stereoselective supramolecular synthesis: a case of diastereomeric dimers of 16-S-dihydrosteviol","CrystEngComm","2026","28","18","2995","3007","10.1039/D6CE00081A","","x-ray","0.71073","MoKα","","0.327","0.2315","","","0.4662","0.5163","","","","","","1.153","","","","has coordinates","306373","2026-06-05","18:50:25",""
"7251835","14.5023","0.0007","7.7274","0.0004","22.8287","0.0011","90","","92.427","0.002","90","","2556","0.2","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H47 O4.5 -","- C26 H47 O4.5 -","- C104 H188 O18 -","4","2","","Gerasimova, Daria P.; Zakharychev, Dmitry V.; Saifina, Alina F.; Fayzullin, Robert R.; Lodochnikova, Olga A.","Solvent-controlled stereoselective supramolecular synthesis: a case of diastereomeric dimers of 16-S-dihydrosteviol","CrystEngComm","2026","28","18","2995","3007","10.1039/D6CE00081A","","x-ray","0.71073","MoKα","","0.037","0.0354","","","0.0865","0.0874","","","","","","1.07","","","","has coordinates,has disorder","306373","2026-06-05","18:50:25",""
"7251836","20.8839","0.0014","24.4799","0.0015","25.2479","0.0018","88.621","0.002","79.799","0.002","70.358","0.002","11955.6","1.4","293","2","293","2","","","","","","","","11","P -1","-P 1","2","","","","- C39 H250 Ge4 K4.5 N18.5 Na O223 S4 Ti12 W36 Zr4 -","- C23 H88 Ge4 K4.5 N10.5 Na O188 S4 Ti12 W36 Zr4 -","- C46 H176 Ge8 K9 N21 Na2 O376 S8 Ti24 W72 Zr8 -","2","1","","Gong, Peijun; Li, Hailou; Zhao, Junwei; Yang, Guo-Yu","Sulfate-modified TiIV–ZrIV-heterometallic germanotungstate used for catalyzing the Knoevenagel condensation reaction","CrystEngComm","2026","28","18","2979","2986","10.1039/D5CE01157D","","","0.71073","MoKα","","0.0363","0.0305","","","0.0868","0.0897","","","","","","1.038","","","","has coordinates","306372","2026-06-05","18:50:21",""
"7251837","6.84365","0.00012","11.17471","0.0002","11.9856","0.0002","90","","92.9687","0.0016","90","","915.38","0.03","169.99","0.1","169.99","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H32 O4 -","- C20 H32 O4 -","- C40 H64 O8 -","2","1","","Li, Wanting; Xia, Guiyang; Xia, Jinyu; Liu, Qiyao; Wu, Xuefen; Zhou, Linnan; Wei, Xiaohong; Xia, Huan; Lin, Sheng","ent-Pimarane diterpenoids from the aerial parts of Sigesbeckia pubescens and their myocardial protective activity","RSC Advances","2026","16","19","17310","17321","10.1039/D5RA09664B","","x-ray","1.54184","CuKα","","0.0305","0.0299","","","0.0837","0.0843","","","","","","1.003","","","","has coordinates","305222","2026-03-31","01:30:01",""
"7251838","7.38","0.0004","12.1066","0.0004","20.3919","0.001","90","","90","","90","","1821.95","0.15","149.99","0.1","149.99","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H34 O4 -","- C20 H34 O4 -","- C80 H136 O16 -","4","1","","Li, Wanting; Xia, Guiyang; Xia, Jinyu; Liu, Qiyao; Wu, Xuefen; Zhou, Linnan; Wei, Xiaohong; Xia, Huan; Lin, Sheng","ent-Pimarane diterpenoids from the aerial parts of Sigesbeckia pubescens and their myocardial protective activity","RSC Advances","2026","16","19","17310","17321","10.1039/D5RA09664B","","x-ray","1.54184","CuKα","","0.0822","0.0765","","","0.2042","0.2114","","","","","","1.036","","","","has coordinates","305222","2026-03-31","01:30:01",""
"7251839","11.245","0.0003","7.2402","0.0002","11.579","0.0003","90","","99.615","0.003","90","","929.47","0.04","170","0.1","170","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H34 O3 -","- C20 H34 O3 -","- C40 H68 O6 -","2","1","","Li, Wanting; Xia, Guiyang; Xia, Jinyu; Liu, Qiyao; Wu, Xuefen; Zhou, Linnan; Wei, Xiaohong; Xia, Huan; Lin, Sheng","ent-Pimarane diterpenoids from the aerial parts of Sigesbeckia pubescens and their myocardial protective activity","RSC Advances","2026","16","19","17310","17321","10.1039/D5RA09664B","","x-ray","1.54184","CuKα","","0.0346","0.0338","","","0.0849","0.0859","","","","","","1.064","","","","has coordinates","305222","2026-03-31","01:30:01",""
"7251840","54.117","0.002","11.8772","0.0005","7.4089","0.0003","90","","96.1828","0.0008","90","","4734.4","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26.77 H19.65 Cu I N5.88 O2 -","- C26.766 H19.649 Cu I N5.883 O2 -","- C214.128 H157.192 Cu8 I8 N47.064 O16 -","8","1","","Pinzón-Vanegas, Cristian; Villa-Rivera, Jorge J.; Sánchez-Mendieta, Víctor; Martínez-Otero, Diego; Barroso-Flores, Joaquín; Vilchis-Nestor, Alfredo R.; Lifante-Pedrola, Ginés; Amo-Ochoa, Pilar; Dorazco-González, Alejandro","Structural studies, thermochromic luminescent properties and crystal-to-crystal transformation of a double-stranded CuI–I-bisquinoline coordination polymer","RSC Advances","2026","16","19","17158","17175","10.1039/D6RA01043A","","","0.71073","MoKα","","0.0257","0.0234","","","0.0567","0.058","","","","","","1.031","","","","has coordinates,has disorder","305223","2026-03-31","01:30:22",""
"7251841","54.126","0.004","11.9193","0.0009","7.4457","0.0005","90","","96.286","0.002","90","","4774.7","0.6","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27 H23 Cu I N7 O2 -","- C27 H23 Cu I N7 O2 -","- C216 H184 Cu8 I8 N56 O16 -","8","1","","Pinzón-Vanegas, Cristian; Villa-Rivera, Jorge J.; Sánchez-Mendieta, Víctor; Martínez-Otero, Diego; Barroso-Flores, Joaquín; Vilchis-Nestor, Alfredo R.; Lifante-Pedrola, Ginés; Amo-Ochoa, Pilar; Dorazco-González, Alejandro","Structural studies, thermochromic luminescent properties and crystal-to-crystal transformation of a double-stranded CuI–I-bisquinoline coordination polymer","RSC Advances","2026","16","19","17158","17175","10.1039/D6RA01043A","","","0.71073","MoKα","","0.0772","0.067","","","0.1504","0.1556","","","","","","1.187","","","","has coordinates,has disorder","305223","2026-03-31","01:30:22",""
"7251842","24.5179","0.0002","12.1034","0.0001","7.5341","0.0001","90","","95.322","0.001","90","","2226.11","0.04","275","0.1","275","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","CP1-BzCN amber prism 275K","","- C25 H17 Cu I N5 O2 -","- C25 H17 Cu I N5 O2 -","- C100 H68 Cu4 I4 N20 O8 -","4","1","","Pinzón-Vanegas, Cristian; Villa-Rivera, Jorge J.; Sánchez-Mendieta, Víctor; Martínez-Otero, Diego; Barroso-Flores, Joaquín; Vilchis-Nestor, Alfredo R.; Lifante-Pedrola, Ginés; Amo-Ochoa, Pilar; Dorazco-González, Alejandro","Structural studies, thermochromic luminescent properties and crystal-to-crystal transformation of a double-stranded CuI–I-bisquinoline coordination polymer","RSC Advances","2026","16","19","17158","17175","10.1039/D6RA01043A","","x-ray","1.54184","CuKα","","0.0371","0.035","","","0.0918","0.0932","","","","","","1.093","","","","has coordinates","305223","2026-03-31","01:30:22",""
"7251843","54.3406","0.0007","11.963","0.0002","7.5595","0.0001","90","","96.723","0.001","90","","4880.46","0.12","293","0.1","293","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","CuI-L5 293K","","- C27 H20 Cu I N6 O2 -","- C25 H17 Cu I N5 O2 -","- C200 H136 Cu8 I8 N40 O16 -","8","1","","Pinzón-Vanegas, Cristian; Villa-Rivera, Jorge J.; Sánchez-Mendieta, Víctor; Martínez-Otero, Diego; Barroso-Flores, Joaquín; Vilchis-Nestor, Alfredo R.; Lifante-Pedrola, Ginés; Amo-Ochoa, Pilar; Dorazco-González, Alejandro","Structural studies, thermochromic luminescent properties and crystal-to-crystal transformation of a double-stranded CuI–I-bisquinoline coordination polymer","RSC Advances","2026","16","19","17158","17175","10.1039/D6RA01043A","","x-ray","1.54184","CuKα","","0.0764","0.0708","","","0.2","0.204","","","","","","1.053","","","","has coordinates","305223","2026-03-31","01:30:22",""
"7251844","10.814","0.0001","13.7985","0.0002","23.5044","0.0003","90","","90","","90","","3507.26","0.08","200","","200","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H20 O7 -","- C19 H20 O7 -","- C152 H160 O56 -","8","1","","Alexander, Carlson; Cheung, Tsz-Lam; Kumar, Chowan Ashok; Hor, Catherine H. H.; Li, Huishan; Zou, Xiuzhi; Parker, David","Synthesis and preliminary assessment of fluorescent probes based on the competitive GPCR antagonists vismodegib and masupirdine","RSC Advances","2026","16","20","17745","17752","10.1039/D6RA01214K","","","0.71073","MoKα","","0.0392","0.0339","","0.0451","0.041","0.041","","","","","","1.0803","","","","has coordinates","305246","2026-04-02","01:22:48",""
"7251845","8.8162","0.0001","10.3256","0.0002","19.0296","0.0003","90","","94.8911","0.0006","90","","1726","0.05","200","","200","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H20 O7 -","- C19 H20 O7 -","- C76 H80 O28 -","4","1","","Alexander, Carlson; Cheung, Tsz-Lam; Kumar, Chowan Ashok; Hor, Catherine H. H.; Li, Huishan; Zou, Xiuzhi; Parker, David","Synthesis and preliminary assessment of fluorescent probes based on the competitive GPCR antagonists vismodegib and masupirdine","RSC Advances","2026","16","20","17745","17752","10.1039/D6RA01214K","","","0.71073","MoKα","","0.0371","0.0318","","0.0424","0.0386","0.0386","","","","","","1.112","","","","has coordinates","305246","2026-04-02","01:22:48",""
"7251846","12.183","0.002","19.984","0.004","20.262","0.004","83.979","0.003","74.039","0.003","75.983","0.003","4597.8","1.5","170","","170","","","","","","","","","9","P -1","-P 1","2","","1","","- C90 H80 Cu I Mn Mo6 N2 O26.75 P3 -","- C90 H80 Cu I Mn Mo6 N2 O27 P3 -","- C180 H160 Cu2 I2 Mn2 Mo12 N4 O54 P6 -","2","1","","Lei, Hui-Xue; Zhang, Ze-Xun; Li, Xin-Xiong; Wei, Qiao-Huang; Li, Hao-Hong; Zheng, Shou-Tian","Regulating memristor performance of organic–inorganic hybrid polyoxometalates via counter cations","CrystEngComm","2026","28","16","2535","2541","10.1039/D6CE00045B","","","0.71073","MoKα","","0.1279","0.0561","","","0.126","0.1608","","","","","","1.028","","","","has coordinates","305787","2026-05-05","09:03:46",""
"7251847","16.838","0.002","17.871","0.002","20.708","0.003","91.9","0.002","100.406","0.002","107.973","0.002","5803.3","1.3","170","","170","","","","","","","","","9","P -1","-P 1","2","","1","","- C96 H121 Cu I Mn Mo6 N17 O24 P2 -","- C68 H79 Cu I Mn Mo6 N3 O24 P2 -","- C136 H158 Cu2 I2 Mn2 Mo12 N6 O48 P4 -","2","1","","Lei, Hui-Xue; Zhang, Ze-Xun; Li, Xin-Xiong; Wei, Qiao-Huang; Li, Hao-Hong; Zheng, Shou-Tian","Regulating memristor performance of organic–inorganic hybrid polyoxometalates via counter cations","CrystEngComm","2026","28","16","2535","2541","10.1039/D6CE00045B","","","0.71073","MoKα","","0.0625","0.0523","","","0.1597","0.1745","","","","","","1.03","","","","has coordinates","305787","2026-05-05","09:03:46",""
"7251848","19.022","0.007","4.845","0.002","19.21","0.007","90","","103.52","0.03","90","","1721.4","1.2","296","2","296.15","","","","","","","","","6","I 1 2/c 1","-I 2yc","15","","","","- C14 H16 Cl2 N4 O2 Zn -","- C14 H16 Cl2 N4 O2 Zn -","- C56 H64 Cl8 N16 O8 Zn4 -","4","0.5","","Zhang, Cheng-Fang; Zhong, Wen-He; Ma, Peng-Cheng; Zhao, Jia-Jia; Cheng, Ting; Chen, Li-Zhuang","Halogen-modulated zinc-based 0D hybrids for high-efficiency blue light emission","CrystEngComm","2026","28","17","2845","2850","10.1039/D6CE00125D","","","0.71073","MoKα","","0.0461","0.0378","","","0.1036","0.1098","","","","","","1.02","","","","has coordinates","306358","2026-06-05","18:46:04",""
"7251849","23.863","0.005","4.8456","0.001","18.997","0.005","90","","127.809","0.013","90","","1735.5","0.7","296","2","296.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H16 Br2 N4 O2 Zn -","- C14 H16 Br2 N4 O2 Zn -","- C56 H64 Br8 N16 O8 Zn4 -","4","0.5","","Zhang, Cheng-Fang; Zhong, Wen-He; Ma, Peng-Cheng; Zhao, Jia-Jia; Cheng, Ting; Chen, Li-Zhuang","Halogen-modulated zinc-based 0D hybrids for high-efficiency blue light emission","CrystEngComm","2026","28","17","2845","2850","10.1039/D6CE00125D","","","0.71073","MoKα","","0.0323","0.0255","","","0.0596","0.0621","","","","","","1.029","","","","has coordinates","306358","2026-06-05","18:46:04",""
"7251850","24.3146","0.0004","4.8922","0.0001","19.1901","0.0004","90","","127.04","0.001","90","","1822.08","0.07","296","2","296.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H14 I2 N2 O4 Zn -","- C14 H14 I2 N2 O4 Zn -","- C56 H56 I8 N8 O16 Zn4 -","4","0.5","","Zhang, Cheng-Fang; Zhong, Wen-He; Ma, Peng-Cheng; Zhao, Jia-Jia; Cheng, Ting; Chen, Li-Zhuang","Halogen-modulated zinc-based 0D hybrids for high-efficiency blue light emission","CrystEngComm","2026","28","17","2845","2850","10.1039/D6CE00125D","","","0.71073","MoKα","","0.0359","0.027","","","0.0583","0.0622","","","","","","1.029","","","","has coordinates","306358","2026-06-05","18:46:04",""
"7251851","7.89","0.02","8.49","0.02","15.86","0.04","80.77","0.04","79.09","0.05","89.38","0.04","1029","4","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H52 N10 Ni O22 -","- C26 H52 N10 Ni O22 -","- C26 H52 N10 Ni O22 -","1","0.5","","Ghosh, Subhasis; Daripa, Samrat; Shyam, Tandrim; Hira, Sumit Kumar; Das, Debasis","Exploring an azo-uracil based nickel(ii) complex for anticancer and phosphatase like activities","RSC Advances","2026","16","20","17895","17904","10.1039/D6RA01587E","","","0.71073","MoKα","","0.1609","0.1031","","","0.2119","0.2471","","","","","","1.1506","","","","has coordinates","305259","2026-04-03","01:15:22",""
"7251852","21.5245","0.0009","8.0424","0.0003","12.9761","0.0005","90","","97.021","0.001","90","","2229.43","0.15","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H22 N4 O4 S2 -","- C23 H22 N4 O4 S2 -","- C92 H88 N16 O16 S8 -","4","1","","Herndon, Deacon; Kafle, Prakash; Mukherjee, Rishav; Sharma, Indrajeet","Sulfenylnitrene-mediated aminative cyclizations for the diastereoselective synthesis of fused bicyclic indolines.","RSC advances","2026","16","18","16370","16375","10.1039/d5ra09687a","","","0.71073","MoKα","","0.0396","0.0375","","","0.0985","0.1004","","","","","","1.065","","","","has coordinates","305275","2026-04-05","09:29:46",""
"7251853","8.5382","0.0001","22.3478","0.0003","22.2413","0.0003","90","","90.87","0.001","90","","4243.37","0.09","100.4","0.9","100.4","0.9","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","((1,8-bis(4-(tert-butyl)phenyl)phenanthrene-2,7-diyl)bis(4,1-phenylene))bis(methylsulfane) compound with toluene (1:1)","","- C55 H54 S2 -","- C55 H54 S2 -","- C220 H216 S8 -","4","1","","Wang, Qing; Huang, Na; Zhang, Ruiying; Chen, Li-Chuan; Yan, Jianfeng; Chen, Zhong-Ning; Li, Yuanming; Zhang, Qian-Chong","Ladderization of polycyclic aromatic hydrocarbons enhances electrical conductivity through additional coherent channels.","Physical chemistry chemical physics : PCCP","2026","28","21","12812","12816","10.1039/d6cp00672h","","x-ray","1.3405","GaKα","","0.0488","0.0405","","","0.1066","0.1121","","","","","","1.059","","","","has coordinates,has disorder","306509","2026-06-05","19:36:21",""
"7251854","16.8658","0.0003","15.6883","0.0003","12.6267","0.0003","90","","90","","90","","3340.97","0.12","123","2","123","2","","","","","","","","4","C m c e","-C 2ac 2","64","[HMG][TDI]","hexamethyl guanidinium 4,5-dicyano-2-(trifluoromethyl)imidazolide","","- C13 H18 F3 N7 -","- C13 H18 F3 N7 -","- C104 H144 F24 N56 -","8","0.5","","Kufel, Lukasz; Debono, Julia; Sasieta-Barrutia, Elene; O'Dell, Luke A; Wieczorek, Wladyslaw; Forsyth, Craig M.; Forsyth, Maria; Pringle, Jennifer M.","The impact of anion structure on the physicochemical and transport properties of hexamethylguanidinium-based sodium-ion electrolytes.","Physical chemistry chemical physics : PCCP","2026","28","17","10496","10511","10.1039/d6cp00614k","","","1.54184","CuKα","","0.043","0.0399","","","0.1092","0.1127","","","","","","1.089","","","","has coordinates,has disorder","306508","2026-06-05","19:36:04",""
"7251855","9.1329","0.0002","9.4832","0.0002","9.9233","0.0002","106.46","0.002","102.119","0.002","116.599","0.002","677.76","0.04","123","2","123","2","","","","","","","","3","P -1","-P 1","2","[HMG][TCM]","hexamethylguanidinium tricyanomethanide","","- C11 H18 N6 -","- C11 H18 N6 -","- C22 H36 N12 -","2","1","","Kufel, Lukasz; Debono, Julia; Sasieta-Barrutia, Elene; O'Dell, Luke A; Wieczorek, Wladyslaw; Forsyth, Craig M.; Forsyth, Maria; Pringle, Jennifer M.","The impact of anion structure on the physicochemical and transport properties of hexamethylguanidinium-based sodium-ion electrolytes.","Physical chemistry chemical physics : PCCP","2026","28","17","10496","10511","10.1039/d6cp00614k","","","1.54184","CuKα","","0.0362","0.0334","","","0.0918","0.0941","","","","","","1.065","","","","has coordinates,has disorder","306508","2026-06-05","19:36:04",""
"7251856","15.8485","0.0005","14.0168","0.0004","9.6438","0.0004","90","","108.634","0.001","90","","2030.02","0.12","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H26 N4 Ni O8 -","- C18 H26 N4 Ni O8 -","- C72 H104 N16 Ni4 O32 -","4","0.5","","Kuncová, Lucie; Lazarová, Jana; Kotek, Jan; Kubíček, Vojtěch; Hermann, Petr","Dipyridinophane ligands – synthesis and coordination study","RSC Advances","2026","16","20","18220","18231","10.1039/D6RA00469E","","","0.71073","MoKα","","0.022","0.0216","","","0.0529","0.0532","","","","","","1.071","","","","has coordinates","305479","2026-04-08","01:20:30",""
"7251857","29.7755","0.0011","9.6626","0.0003","13.6057","0.0005","90","","107.757","0.001","90","","3728","0.2","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H22 N4 Ni O6 -","- C18 H22 N4 Ni O6 -","- C144 H176 N32 Ni8 O48 -","8","1","","Kuncová, Lucie; Lazarová, Jana; Kotek, Jan; Kubíček, Vojtěch; Hermann, Petr","Dipyridinophane ligands – synthesis and coordination study","RSC Advances","2026","16","20","18220","18231","10.1039/D6RA00469E","","","0.71073","MoKα","","0.0226","0.0223","","","0.0568","0.057","","","","","","1.066","","","","has coordinates","305479","2026-04-08","01:20:30",""
"7251858","8.5884","0.0005","28.5181","0.0017","29.1373","0.0019","90","","90","","90","","7136.4","0.8","120","2","120","2","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C15.5 H22 Cl2 N4 Ni O1.5 -","- C15.5 H22 Cl2 N4 Ni O1.5 -","- C248 H352 Cl32 N64 Ni16 O24 -","16","0.5","","Kuncová, Lucie; Lazarová, Jana; Kotek, Jan; Kubíček, Vojtěch; Hermann, Petr","Dipyridinophane ligands – synthesis and coordination study","RSC Advances","2026","16","20","18220","18231","10.1039/D6RA00469E","","","0.71073","MoKα","","0.0204","0.02","","","0.0527","0.0531","","","","","","0.955","","","","has coordinates,has disorder","305479","2026-04-08","01:20:30",""
"7251859","9.5403","0.0005","15.2607","0.0008","15.6879","0.0008","100.388","0.002","106.769","0.002","91.963","0.002","2142.01","0.19","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H106 Cl4 Ga4 N16 O33 -","- C72 H94 Cl Ga4 N16 O27 -","- C72 H94 Cl Ga4 N16 O27 -","1","0.5","","Kuncová, Lucie; Lazarová, Jana; Kotek, Jan; Kubíček, Vojtěch; Hermann, Petr","Dipyridinophane ligands – synthesis and coordination study","RSC Advances","2026","16","20","18220","18231","10.1039/D6RA00469E","","","0.71073","MoKα","","0.0343","0.0294","","","0.0797","0.0828","","","","","","1.053","","","","has coordinates,has disorder","305479","2026-04-08","01:20:30",""
"7251860","8.6379","0.0005","28.7209","0.0015","28.937","0.0017","90","","90","","90","","7178.9","0.7","120","2","120","2","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C15.5 H22 Cl2 Cu N4 O1.5 -","- C15.5 H22 Cl2 Cu N4 O1.5 -","- C248 H352 Cl32 Cu16 N64 O24 -","16","0.5","","Kuncová, Lucie; Lazarová, Jana; Kotek, Jan; Kubíček, Vojtěch; Hermann, Petr","Dipyridinophane ligands – synthesis and coordination study","RSC Advances","2026","16","20","18220","18231","10.1039/D6RA00469E","","","0.71073","MoKα","","0.0217","0.0208","","","0.0585","0.0592","","","","","","1.104","","","","has coordinates,has disorder","305479","2026-04-08","01:20:30",""
"7251861","9.6618","0.0007","15.588","0.0011","14.6864","0.0011","90","","105.502","0.003","90","","2131.4","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H27 Cl Co N4 O8.5 -","- C18 H27 Cl Co N4 O8.5 -","- C72 H108 Cl4 Co4 N16 O34 -","4","1","","Kuncová, Lucie; Lazarová, Jana; Kotek, Jan; Kubíček, Vojtěch; Hermann, Petr","Dipyridinophane ligands – synthesis and coordination study","RSC Advances","2026","16","20","18220","18231","10.1039/D6RA00469E","","","0.71073","MoKα","","0.0333","0.0317","","","0.0802","0.0811","","","","","","1.124","","","","has coordinates,has disorder","305479","2026-04-08","01:20:30",""
"7251862","8.6134","0.0003","28.9571","0.0013","29.0239","0.0013","90","","90","","90","","7239.1","0.5","120","2","120","2","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C15.5 H22 Cl2 N4 O1.5 Zn -","- C15.5 H22 Cl2 N4 O1.5 Zn -","- C248 H352 Cl32 N64 O24 Zn16 -","16","0.5","","Kuncová, Lucie; Lazarová, Jana; Kotek, Jan; Kubíček, Vojtěch; Hermann, Petr","Dipyridinophane ligands – synthesis and coordination study","RSC Advances","2026","16","20","18220","18231","10.1039/D6RA00469E","","","0.71073","MoKα","","0.0239","0.0219","","","0.0552","0.0564","","","","","","1.069","","","","has coordinates,has disorder","305479","2026-04-08","01:20:30",""
"7251863","9.0585","0.0012","9.764","0.0013","14.477","0.002","72.604","0.005","72.489","0.005","63.055","0.005","1068.4","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H26 Cl Fe N4 O8 -","- C18 H22 Cl Fe N4 O6 -","- C36 H44 Cl2 Fe2 N8 O12 -","2","1","","Kuncová, Lucie; Lazarová, Jana; Kotek, Jan; Kubíček, Vojtěch; Hermann, Petr","Dipyridinophane ligands – synthesis and coordination study","RSC Advances","2026","16","20","18220","18231","10.1039/D6RA00469E","","","0.71073","MoKα","","0.0382","0.0373","","","0.0886","0.0891","","","","","","1.193","","","","has coordinates,has disorder","305479","2026-04-08","01:20:30",""
"7251864","29.7157","0.0012","9.7356","0.0004","13.7443","0.0006","90","","109.119","0.001","90","","3756.9","0.3","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H22 Cu N4 O6 -","- C18 H22 Cu N4 O6 -","- C144 H176 Cu8 N32 O48 -","8","1","","Kuncová, Lucie; Lazarová, Jana; Kotek, Jan; Kubíček, Vojtěch; Hermann, Petr","Dipyridinophane ligands – synthesis and coordination study","RSC Advances","2026","16","20","18220","18231","10.1039/D6RA00469E","","","0.71073","MoKα","","0.0275","0.0271","","","0.0716","0.0719","","","","","","1.028","","","","has coordinates,has disorder","305479","2026-04-08","01:20:30",""
"7251865","10.3806","0.0005","10.5152","0.0005","10.8179","0.0005","78.849","0.002","62.627","0.001","77.618","0.002","1018.08","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H28 N4 O9 P2 -","- C16 H28 N4 O9 P2 -","- C32 H56 N8 O18 P4 -","2","1","","Kuncová, Lucie; Lazarová, Jana; Kotek, Jan; Kubíček, Vojtěch; Hermann, Petr","Dipyridinophane ligands – synthesis and coordination study","RSC Advances","2026","16","20","18220","18231","10.1039/D6RA00469E","","","0.71073","MoKα","","0.0297","0.0278","","","0.0719","0.0731","","","","","","1.054","","","","has coordinates,has disorder","305479","2026-04-08","01:20:30",""
"7251866","11.0889","0.0006","11.3906","0.0006","11.9217","0.0006","94.577","0.002","102.408","0.002","110.001","0.002","1362.53","0.13","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H72 Cu2 N8 O24 P4 -","- C38 H72 Cu2 N8 O24 P4 -","- C38 H72 Cu2 N8 O24 P4 -","1","0.5","","Kuncová, Lucie; Lazarová, Jana; Kotek, Jan; Kubíček, Vojtěch; Hermann, Petr","Dipyridinophane ligands – synthesis and coordination study","RSC Advances","2026","16","20","18220","18231","10.1039/D6RA00469E","","","0.71073","MoKα","","0.0231","0.0228","","","0.0616","0.0618","","","","","","1.054","","","","has coordinates,has disorder","305479","2026-04-08","01:20:30",""
"7251867","13.9991","0.0013","6.7481","0.0007","8.4848","0.0009","90","","123.143","0.003","90","","671.13","0.12","100","","100","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","Studtite","Diaquaperoxo(dioxouranium(VI)) Dihydrate","","- H8 O8 U -","- H8 O8 U -","- H32 O32 U4 -","4","0.5","","Benthin, Grant C.; Flester, Cameron J.; Forbes, Tori Z.","Single crystal growth and structural characterization of synthetic U(vi) peroxide phases, studtite (UO2(O2)(H2O)2·2H2O) and metastudtite (UO2(O2)(H2O)2)","CrystEngComm","2026","28","16","2542","2547","10.1039/D6CE00118A","","","0.71073","MoKα","","0.0493","0.0281","","","0.0427","0.0478","","","","","","1.226","","","","has coordinates","306360","2026-06-05","18:48:33",""
"7251868","4.1946","0.0005","6.5143","0.0009","8.7339","0.0013","90","","90","","90","","238.65","0.06","100","","100","","","","","","","","","3","I m m m","-I 2 2","71","Metastudtite","Diaquaperoxo(dioxouranium(VI))","","- H4 O6 U -","- H4 O6 U -","- H8 O12 U2 -","2","0.125","","Benthin, Grant C.; Flester, Cameron J.; Forbes, Tori Z.","Single crystal growth and structural characterization of synthetic U(vi) peroxide phases, studtite (UO2(O2)(H2O)2·2H2O) and metastudtite (UO2(O2)(H2O)2)","CrystEngComm","2026","28","16","2542","2547","10.1039/D6CE00118A","","","0.71073","MoKα","","0.035","0.035","","","0.0843","0.0843","","","","","","1.198","","","","has coordinates","306360","2026-06-05","18:48:33",""
"7251869","10.2885","0.0009","16.1075","0.0017","9.9824","0.0013","90","","90","","90","","1654.3","0.3","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C21 H21 N O -","- C21 H21 N O -","- C84 H84 N4 O4 -","4","1","","Raj, A. Dennis; Jeeva, M.; Purusothaman, R.; Potheher, I. Vetha","Experimental measurements and density functional theory analysis of a novel Mannich base: structural and nonlinear optical perspectives","CrystEngComm","2026","28","20","3200","3209","10.1039/D5CE01064K","","","0.71073","MoKα","","0.0719","0.0423","","","0.095","0.1143","","","","","","0.971","","","","has coordinates","306365","2026-06-05","18:49:05",""
"7251870","11.0432","0.0002","12.2637","0.0002","15.3122","0.0002","90","","101.646","0.001","90","","2031.05","0.06","170","","170","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H23 N O5 -","- C26 H23 N O5 -","- C104 H92 N4 O20 -","4","2","","Wang, Zongkang; Liu, Yiting; Liang, Chaoying; Yan, Yihui; Yang, Linrui; Wang, Yan; Jiang, Yakun; Wang, Chengyu; Li, Yanzhong","Visible light induced 6π electrocyclization: divergent synthesis of seven membered ring derivatives","Green Chemistry","2026","28","17","7286","7292","10.1039/D6GC01010E","","","1.34139","GaKα","","0.0357","0.032","","","0.0857","0.0875","","","","","","1.064","","","","has coordinates","306443","2026-06-05","19:22:03",""
"7251871","7.6698","0.0001","17.1761","0.0003","15.642","0.0003","90","","101.878","0.001","90","","2016.51","0.06","170","","170","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H23 N O4 -","- C26 H23 N O4 -","- C104 H92 N4 O16 -","4","1","","Wang, Zongkang; Liu, Yiting; Liang, Chaoying; Yan, Yihui; Yang, Linrui; Wang, Yan; Jiang, Yakun; Wang, Chengyu; Li, Yanzhong","Visible light induced 6π electrocyclization: divergent synthesis of seven membered ring derivatives","Green Chemistry","2026","28","17","7286","7292","10.1039/D6GC01010E","","","1.34139","GaKα","","0.0423","0.0389","","","0.1018","0.1047","","","","","","1.064","","","","has coordinates","306443","2026-06-05","19:22:03",""
"7251872","13.9314","0.0001","16.3659","0.0001","19.2763","0.0002","90","","110.955","0.001","90","","4104.32","0.06","173","0.1","173","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C26 H23 N O4 -","- C26 H23 N O4 -","- C208 H184 N8 O32 -","8","1","","Wang, Zongkang; Liu, Yiting; Liang, Chaoying; Yan, Yihui; Yang, Linrui; Wang, Yan; Jiang, Yakun; Wang, Chengyu; Li, Yanzhong","Visible light induced 6π electrocyclization: divergent synthesis of seven membered ring derivatives","Green Chemistry","2026","28","17","7286","7292","10.1039/D6GC01010E","","x-ray","1.54184","CuKα","","0.0352","0.0341","","","0.0824","0.0831","","","","","","1.042","","","","has coordinates,has disorder","306443","2026-06-05","19:22:03",""
"7251873","10.1131","0.0006","18.2779","0.001","14.6964","0.0008","90","","105.133","0.001","90","","2622.4","0.3","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H23 Cl2 Cu N3 O2 -","- C31 H23 Cl2 Cu N3 O2 -","- C124 H92 Cl8 Cu4 N12 O8 -","4","1","","Oladipo, Segun D.; Adeleke, Adesola A.; Olofisan, Kolawole A.; Omondi, Bernard; Luckay, Robert C.","DNA/BSA binding, antidiabetic and antioxidant studies of copper(ii) complexes derived from ONO-tridentate Schiff bases and diimines as auxiliary ligands","RSC Advances","2026","16","21","18709","18723","10.1039/D6RA01650B","","","0.71073","MoKα","","0.0602","0.0391","","","0.091","0.1008","","","","","","1.056","","","","has coordinates","305516","2026-04-11","01:46:46",""
"7251874","10.3155","0.0003","22.5459","0.0006","13.4635","0.0004","90","","107.671","0.001","90","","2983.49","0.15","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H23 Cl4 Cu N3 O2 -","- C32 H23 Cl4 Cu N3 O2 -","- C128 H92 Cl16 Cu4 N12 O8 -","4","1","","Oladipo, Segun D.; Adeleke, Adesola A.; Olofisan, Kolawole A.; Omondi, Bernard; Luckay, Robert C.","DNA/BSA binding, antidiabetic and antioxidant studies of copper(ii) complexes derived from ONO-tridentate Schiff bases and diimines as auxiliary ligands","RSC Advances","2026","16","21","18709","18723","10.1039/D6RA01650B","","","0.71073","MoKα","","0.061","0.0424","","","0.1077","0.1216","","","","","","1.031","","","","has coordinates","305516","2026-04-11","01:46:46",""
"7251875","7.418","0.004","13.351","0.007","15.437","0.008","93.22","0.016","103.676","0.015","103.705","0.016","1433","1.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H24 Cl2 Cu N4 O4 -","- C32 H24 Cl2 Cu N4 O4 -","- C64 H48 Cl4 Cu2 N8 O8 -","2","1","","Oladipo, Segun D.; Adeleke, Adesola A.; Olofisan, Kolawole A.; Omondi, Bernard; Luckay, Robert C.","DNA/BSA binding, antidiabetic and antioxidant studies of copper(ii) complexes derived from ONO-tridentate Schiff bases and diimines as auxiliary ligands","RSC Advances","2026","16","21","18709","18723","10.1039/D6RA01650B","","","0.71073","MoKα","","0.0951","0.059","","","0.1492","0.1714","","","","","","0.992","","","","has coordinates,has disorder","305516","2026-04-11","01:46:46",""
"7251876","9.6459","0.0006","20.2675","0.0013","14.4479","0.0009","90","","108.352","0.002","90","","2680.9","0.3","111","2","111","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H29 Cu N3 O3 -","- C33 H29 Cu N3 O3 -","- C132 H116 Cu4 N12 O12 -","4","1","","Oladipo, Segun D.; Adeleke, Adesola A.; Olofisan, Kolawole A.; Omondi, Bernard; Luckay, Robert C.","DNA/BSA binding, antidiabetic and antioxidant studies of copper(ii) complexes derived from ONO-tridentate Schiff bases and diimines as auxiliary ligands","RSC Advances","2026","16","21","18709","18723","10.1039/D6RA01650B","","","0.71073","MoKα","","0.0614","0.0479","","","0.1139","0.121","","","","","","1.04","","","","has coordinates","305516","2026-04-11","01:46:46",""
"7251877","13.4331","0.0008","12.7371","0.0007","15.332","0.0011","90","","111.33","0.002","90","","2443.6","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H24 Cl2 N6 O2 Pd -","- C23 H24 Cl2 N6 O2 Pd -","- C92 H96 Cl8 N24 O8 Pd4 -","4","1","","Boubakri, Lamia; Hassen, S.; Gürbüz, Nevin; Özdemir, İsmail; Arfaoui, Youssef; Attour, Anis; Kelm, Harald; Kraiem, Jamil; Hamdi, Naceur","Novel NHC-based Pd–PEPPSI complexes: synthesis, structural characterization by X-ray diffraction, biological properties, and catalytic performance in N-alkylation reactions","RSC Advances","2026","16","21","19379","19396","10.1039/D6RA00146G","","","0.71073","MoKα","","0.0282","0.0219","","","0.0469","0.0504","","","","","","1.073","","","","has coordinates","305534","2026-04-14","01:07:52",""
"7251878","15.1677","0.0003","11.9461","0.0002","25.6539","0.0005","90","","103.092","0.002","90","","4527.53","0.15","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H42 Bi2 Cl12 N6 -","- C24 H42 Bi2 Cl12 N6 -","- C96 H168 Bi8 Cl48 N24 -","4","1","","Alibi, Amin; Elleuch, Nour; Lhoste, Jerome; Amiard, Frédiric; Shova, Sergiu; Boujelbene, Mohamed","Structural elucidation and interaction profiling of a novel bismuth-based organic–inorganic hybrid: (C8H14N2)3(BiCl6)2","RSC Advances","2026","16","21","19366","19378","10.1039/D6RA01928E","","","0.71073","MoKα","","0.0617","0.0336","","","0.0508","0.0572","","","","","","1.012","","","","has coordinates","305535","2026-04-14","01:08:18",""
"7251879","14.8579","0.0008","10.6858","0.0005","18.1456","0.0009","90","","111.81","0.006","90","","2674.7","0.3","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","Mirabegron Edysilate monohydrate","","","- C23 H32 N4 O9 S3 -","- C23 H32 N4 O9 S3 -","- C92 H128 N16 O36 S12 -","4","2","","Balogh, Margareta Cristina; Claybourn, Boe M.; Bonnaud, Thierry; Pitak, Mateusz B.","Understanding of Mirabegron Edisylate Hydrate Conversion and Solvate Characterisation","CrystEngComm","2026","","","","","10.1039/D5CE00592B","","x-ray","1.54184","CuKα","","0.0485","0.041","","","0.096","0.1003","","","","","","1.024","","","","has coordinates","305543","2026-04-14","22:42:26",""
"7251880","9.7367","0.0002","11.3761","0.0002","14.6395","0.0003","85.141","0.001","72.053","0.002","71.741","0.001","1464.85","0.05","100","0.1","100","0.1","","","","","","","","5","P 1","P 1","1","'Mirabegron Edysilate 1,4-dioxane, partial water hydrate'","","","- C50 H69.3 N8 O18.65 S6 -","- C50 H69.3 N8 O18.65 S6 -","- C50 H69.3 N8 O18.65 S6 -","1","1","","Balogh, Margareta Cristina; Claybourn, Boe M.; Bonnaud, Thierry; Pitak, Mateusz B.","Understanding of Mirabegron Edisylate Hydrate Conversion and Solvate Characterisation","CrystEngComm","2026","","","","","10.1039/D5CE00592B","","x-ray","1.54184","CuKα","","0.0407","0.0398","","","0.1118","0.1127","","","","","","1.066","","","","has coordinates,has disorder","305543","2026-04-14","22:42:26",""
"7251881","14.91352","0.00016","10.64981","0.0001","18.235","0.0002","90","","112.737","0.0013","90","","2671.13","0.05","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","Mirabegron Edysilate hemihydrate","","","- C23 H31 N4 O8.5 S3 -","- C23 H31 N4 O8.5 S3 -","- C92 H124 N16 O34 S12 -","4","2","","Balogh, Margareta Cristina; Claybourn, Boe M.; Bonnaud, Thierry; Pitak, Mateusz B.","Understanding of Mirabegron Edisylate Hydrate Conversion and Solvate Characterisation","CrystEngComm","2026","","","","","10.1039/D5CE00592B","","x-ray","1.54184","CuKα","","0.0462","0.0441","","","0.111","0.1121","","","","","","1.074","","","","has coordinates","305543","2026-04-14","22:42:26",""
"7251882","14.902","0.0002","10.5108","0.00012","18.3869","0.0002","90","","112.87","0.0015","90","","2653.57","0.06","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","Mirabegron Edysilate anhydrous","","","- C23 H30 N4 O8 S3 -","- C23 H30 N4 O8 S3 -","- C92 H120 N16 O32 S12 -","4","2","","Balogh, Margareta Cristina; Claybourn, Boe M.; Bonnaud, Thierry; Pitak, Mateusz B.","Understanding of Mirabegron Edisylate Hydrate Conversion and Solvate Characterisation","CrystEngComm","2026","","","","","10.1039/D5CE00592B","","x-ray","1.54184","CuKα","","0.0249","0.024","","","0.0633","0.0637","","","","","","1.071","","","","has coordinates","305543","2026-04-14","22:42:26",""
"7251883","5.3594","0.0004","7.8751","0.0005","18.3484","0.0014","85.295","0.002","87.694","0.003","88.454","0.002","770.96","0.1","298","","298","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H21 N O2 -","- C18 H21 N O2 -","- C36 H42 N2 O4 -","2","1","","Dutt, Shiv; Duhan, Neelam; Kale, Vikas; Banerjee, Prabal","Electroreductive deconstruction and oxygenation of cyclic amines","Green Chemistry","2026","28","18","7982","7992","10.1039/D6GC01030J","","x-ray","0.71073","MoKα","","0.0699","0.0588","","","0.1598","0.1683","","","","","","1.083","","","","has coordinates","306449","2026-06-05","19:22:26",""
"7251884","10.7188","0.0003","11.0446","0.0003","8.5086","0.0003","90","","90","","90","","1007.29","0.05","100","0.1","100","0.1","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C5 H16 Cl Fe N4 O3 -","- C5 H16 Cl Fe N4 O3 -","- C20 H64 Cl4 Fe4 N16 O12 -","4","1","","Rabaaoui, Nejmeddine; Guesmi, Ahlem; Jabeur, Wiem; Mhadhbi, Noureddine; Ben Hamadi, Naoufel; Khezami, Lotfi; Cherif, Mourad; Naïli, Houcine","High-efficiency electro-Fenton mineralization of triclosan using a novel octahedral iron(iii) complex: structure, mechanism, and performance","RSC Advances","2026","16","22","19687","19701","10.1039/D6RA01483F","","x-ray","0.71073","MoKα","","0.0248","0.0238","","","0.0574","0.058","","","","","","1.058","","","","has coordinates","305547","2026-04-15","01:20:12",""
"7251885","15.7262","0.0001","14.8624","0.0001","19.3587","0.0001","90","","99.52","0.001","90","","4462.38","0.05","100.1","0.3","100.1","0.3","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C46 H42.6 Br F6 N2 O2.3 P3 Ru -","- C46 H42 Br F6 N2 O2 P3 Ru -","- C184 H168 Br4 F24 N8 O8 P12 Ru4 -","4","1","","Dutra, Jocely L.; Marcon, Pedro H. S.; Moselli, Gustavo; Niquini, Fabiano M.; da Costa, João Victor F.; Moraes, Carlos André F.; Braga, Ataualpa A. C.; Ellena, Javier; Batista, Alzir A.; de Araujo-Neto, João Honorato","Para-substituted benzoic acid ruthenium(ii) complexes: structural features modulating cytotoxicity","RSC Advances","2026","16","22","19763","19778","10.1039/D5RA07271A","","x-ray","1.54184","CuKα","","0.0476","0.0459","","","0.1313","0.1329","","","","","","1.0542","","","","has coordinates,has disorder","305562","2026-04-17","01:26:59",""
"7251886","12.8102","0.0002","13.9899","0.0002","14.5412","0.0003","65.493","0.002","66.109","0.002","73.468","0.002","2146.65","0.08","100","0.3","100","0.3","","","","","","","","7","P -1","-P 1","2","","","","- C45 H40 F6 N3 O4 P3 Ru -","- C45 H40 F6 N3 O4 P3 Ru -","- C90 H80 F12 N6 O8 P6 Ru2 -","2","1","","Dutra, Jocely L.; Marcon, Pedro H. S.; Moselli, Gustavo; Niquini, Fabiano M.; da Costa, João Victor F.; Moraes, Carlos André F.; Braga, Ataualpa A. C.; Ellena, Javier; Batista, Alzir A.; de Araujo-Neto, João Honorato","Para-substituted benzoic acid ruthenium(ii) complexes: structural features modulating cytotoxicity","RSC Advances","2026","16","22","19763","19778","10.1039/D5RA07271A","","x-ray","1.54184","CuKα","","0.0432","0.0394","","","0.1062","0.1087","","","","","","1.0472","","","","has coordinates","305562","2026-04-17","01:26:59",""
"7251887","11.6936","0.0003","13.4117","0.0004","15.3031","0.0004","106.669","0.002","97.953","0.002","90.324","0.002","2274.43","0.11","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C47.24 H47.6 F6 N3 O2.56 P3 Ru -","- C45 H42 N3 O2 P2 Ru -","- C90 H84 N6 O4 P4 Ru2 -","2","1","","Dutra, Jocely L.; Marcon, Pedro H. S.; Moselli, Gustavo; Niquini, Fabiano M.; da Costa, João Victor F.; Moraes, Carlos André F.; Braga, Ataualpa A. C.; Ellena, Javier; Batista, Alzir A.; de Araujo-Neto, João Honorato","Para-substituted benzoic acid ruthenium(ii) complexes: structural features modulating cytotoxicity","RSC Advances","2026","16","22","19763","19778","10.1039/D5RA07271A","","x-ray","0.71073","MoKα","","0.0376","0.0307","","","0.0753","0.0814","","","","","","1.0656","","","","has coordinates","305562","2026-04-17","01:26:59",""
"7251888","29.52159","0.00011","12.88956","0.00006","43.88249","0.00018","90","","96.7437","0.0004","90","","16582.7","0.12","100","0.14","100","0.14","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C84 H80 F12 N4 O6 P6 Ru2 -","- C84 H76 F9 N4 O4 P5.5 Ru2 -","- C672 H608 F72 N32 O32 P44 Ru16 -","8","1","","Dutra, Jocely L.; Marcon, Pedro H. S.; Moselli, Gustavo; Niquini, Fabiano M.; da Costa, João Victor F.; Moraes, Carlos André F.; Braga, Ataualpa A. C.; Ellena, Javier; Batista, Alzir A.; de Araujo-Neto, João Honorato","Para-substituted benzoic acid ruthenium(ii) complexes: structural features modulating cytotoxicity","RSC Advances","2026","16","22","19763","19778","10.1039/D5RA07271A","","x-ray","1.54184","CuKα","","0.0277","0.0253","","","0.0628","0.064","","","","","","1.042","","","","has coordinates","305562","2026-04-17","01:26:59",""
"7251889","15.1734","0.0002","16.391","0.0002","27.2785","0.0004","90","","90","","90","","6784.36","0.16","200","0.1","200","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Sn4-boc","","- C54 H86 Cl2 N4 O14 Sn4 -","- C54 H86 Cl2 N4 O14 Sn4 -","- C216 H344 Cl8 N16 O56 Sn16 -","4","1","","Liu, Yang-Hong; Li, Hao; Lou, Hui-Ru; Chen, Er-Xia; Yang, Jin-Xia; Lin, Qipu","Ligand modification on organotin-oxo clusters for enhanced third-order nonlinear optical response","CrystEngComm","2026","28","21","3298","3304","10.1039/D6CE00120C","","x-ray","1.3405","GaKα","","0.0554","0.0503","","","0.1365","0.1401","","","","","","1.081","","","","has coordinates,has disorder","306374","2026-06-05","18:50:32",""
"7251890","15.1563","0.0002","16.4024","0.0002","27.3019","0.0003","90","","90","","90","","6787.24","0.14","200","0.1","200","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C54 H86 Cl2 N4 O14 Sn4 -","- C54 H86 Cl2 N4 O14 Sn4 -","- C216 H344 Cl8 N16 O56 Sn16 -","4","1","","Liu, Yang-Hong; Li, Hao; Lou, Hui-Ru; Chen, Er-Xia; Yang, Jin-Xia; Lin, Qipu","Ligand modification on organotin-oxo clusters for enhanced third-order nonlinear optical response","CrystEngComm","2026","28","21","3298","3304","10.1039/D6CE00120C","","x-ray","1.3405","GaKα","","0.0606","0.0544","","","0.1563","0.1613","","","","","","1.063","","","","has coordinates,has disorder","306374","2026-06-05","18:50:32",""
"7251891","15.0434","0.0002","15.2331","0.0003","29.7454","0.0007","90","","90","","90","","6816.4","0.2","99.99","0.14","99.99","0.14","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Sn4-Cbz","","- C58 H77.97 Cl2 N4 O16 Sn4 -","- C58 H77.9737 Cl2 N4 O16 Sn4 -","- C232 H311.895 Cl8 N16 O64 Sn16 -","4","1","","Liu, Yang-Hong; Li, Hao; Lou, Hui-Ru; Chen, Er-Xia; Yang, Jin-Xia; Lin, Qipu","Ligand modification on organotin-oxo clusters for enhanced third-order nonlinear optical response","CrystEngComm","2026","28","21","3298","3304","10.1039/D6CE00120C","","x-ray","1.3405","GaKα","","0.1069","0.0865","","","0.2197","0.2353","","","","","","1.019","","","","has coordinates,has disorder","306374","2026-06-05","18:50:32",""
"7251892","15.062","0.0004","15.1736","0.0006","29.6663","0.0015","90","","90","","90","","6780.1","0.5","100","0.1","100","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C58 H78 Cl2 N4 O16 Sn4 -","- C58 H78 Cl2 N4 O16 Sn4 -","- C232 H312 Cl8 N16 O64 Sn16 -","4","1","","Liu, Yang-Hong; Li, Hao; Lou, Hui-Ru; Chen, Er-Xia; Yang, Jin-Xia; Lin, Qipu","Ligand modification on organotin-oxo clusters for enhanced third-order nonlinear optical response","CrystEngComm","2026","28","21","3298","3304","10.1039/D6CE00120C","","x-ray","1.3405","GaKα","","0.1386","0.1162","","","0.3172","0.3397","","","","","","1.008","","","","has coordinates,has disorder","306374","2026-06-05","18:50:32",""
"7251893","13.346","0.013","7.489","0.006","14.808","0.013","90","","107.83","0.02","90","","1409","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Favipiravir Theophylline Cocrystal Form I","","- C12 H12 F N7 O4 -","- C12 H12 F N7 O4 -","- C48 H48 F4 N28 O16 -","4","1","","Kuri, Prasitaditya; Nanubolu, Jagadeesh Babu","Synthon-driven polymorphism in the favipiravir–theophylline cocrystal","CrystEngComm","2026","28","17","2721","2735","10.1039/D6CE00187D","","","0.71073","MoKα","","0.1697","0.0619","","","0.1052","0.1381","","","","","","1.02","","","","has coordinates","305799","2026-05-05","09:05:37",""
"7251894","7.228","0.005","13.95","0.01","14.273","0.012","90","","95.548","0.019","90","","1432.4","1.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Favipiravir Theophylline Cocrystal Form II","","- C12 H12 F N7 O4 -","- C12 H12 F N7 O4 -","- C48 H48 F4 N28 O16 -","4","1","","Kuri, Prasitaditya; Nanubolu, Jagadeesh Babu","Synthon-driven polymorphism in the favipiravir–theophylline cocrystal","CrystEngComm","2026","28","17","2721","2735","10.1039/D6CE00187D","","","0.71073","MoKα","","0.0569","0.046","","","0.1194","0.1268","","","","","","1.078","","","","has coordinates","305799","2026-05-05","09:05:37",""
"7251895","11.5665","0.0009","14.0305","0.0009","13.2812","0.0011","90","","109.648","0.004","90","","2029.8","0.3","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H15 Co N5 O6 -","- C21 H15 Co N5 O6 -","- C84 H60 Co4 N20 O24 -","4","0.5","","Cai, Meng-Tan; Singh, Akshay Pratap; Xu, Zi-Han; Shao, Dong; Zhang, Si-Chen; Yang, Jiong; Zhao, Bing-Shan; Singh, Saurabh Kumar","A pentagonal bipyramidal cobalt(ii) single-ion magnet tape","CrystEngComm","2026","28","18","2905","2910","10.1039/D6CE00257A","","","0.71073","MoKα","","0.0331","0.0281","","","0.0665","0.0688","","","","","","1.077","","","","has coordinates","306370","2026-06-05","18:49:59",""
"7251896","11.68","0.002","14.068","0.003","13.278","0.002","90","","109.88","0.006","90","","2051.7","0.6","400","","400","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H15 Co N5 O6 -","- C21 H15 Co N5 O6 -","- C84 H60 Co4 N20 O24 -","4","0.5","","Cai, Meng-Tan; Singh, Akshay Pratap; Xu, Zi-Han; Shao, Dong; Zhang, Si-Chen; Yang, Jiong; Zhao, Bing-Shan; Singh, Saurabh Kumar","A pentagonal bipyramidal cobalt(ii) single-ion magnet tape","CrystEngComm","2026","28","18","2905","2910","10.1039/D6CE00257A","","","0.71073","MoKα","","0.0415","0.0347","","","0.0928","0.0971","","","","","","1.045","","","","has coordinates","306370","2026-06-05","18:49:59",""
"7251897","5.207","0.002","11.084","0.006","11.85","0.005","98.187","0.017","97.794","0.015","95.548","0.017","666","0.5","110","2","110.46","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H18 N4 O -","- C13 H18 N4 O -","- C26 H36 N8 O2 -","2","1","","Baskey, Manoj Kumar; Ghosh, Subhajit; Ahmed, Sabir; Dastidar, Parthasarathi","Carbamoyl azide–drug conjugates as supramolecular gelators: design, synthesis, crystal structures and anti-melanoma property","CrystEngComm","2026","28","20","3210","3224","10.1039/D6CE00129G","","","0.71073","MoKα","","0.0899","0.0647","","","0.1646","0.1825","","","","","","1.036","","","","has coordinates","306362","2026-06-05","18:48:46",""
"7251898","14.073","0.009","4.879","0.003","22.444","0.014","90","","98.92","0.02","90","","1522.4","1.7","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Diclo-Az","","- C14 H11 Cl2 N5 O -","- C14 H11 Cl2 N5 O -","- C56 H44 Cl8 N20 O4 -","4","1","","Baskey, Manoj Kumar; Ghosh, Subhajit; Ahmed, Sabir; Dastidar, Parthasarathi","Carbamoyl azide–drug conjugates as supramolecular gelators: design, synthesis, crystal structures and anti-melanoma property","CrystEngComm","2026","28","20","3210","3224","10.1039/D6CE00129G","","x-ray","0.71073","MoKα","","0.0822","0.0624","","","0.1568","0.1731","","","","","","1.031","","","","has coordinates","306362","2026-06-05","18:48:46",""
"7251899","13.9443","0.001","5.2071","0.0004","18.4952","0.0012","90","","94.24","0.002","90","","1339.25","0.17","120.1","","120.1","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 N4 O2 -","- C14 H14 N4 O2 -","- C56 H56 N16 O8 -","4","1","","Baskey, Manoj Kumar; Ghosh, Subhajit; Ahmed, Sabir; Dastidar, Parthasarathi","Carbamoyl azide–drug conjugates as supramolecular gelators: design, synthesis, crystal structures and anti-melanoma property","CrystEngComm","2026","28","20","3210","3224","10.1039/D6CE00129G","","","0.71073","MoKα","","0.0649","0.0487","","","0.1227","0.1323","","","","","","1.051","","","","has coordinates","306362","2026-06-05","18:48:46",""
"7251900","6.516","0.002","10.111","0.003","21.318","0.007","91.568","0.005","92.708","0.005","103.339","0.005","1364","0.7","124.38","","124.38","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H23 F2 N8 O2 -","- C30 H23 F2 N8 O2 -","- C60 H46 F4 N16 O4 -","2","1","","Baskey, Manoj Kumar; Ghosh, Subhajit; Ahmed, Sabir; Dastidar, Parthasarathi","Carbamoyl azide–drug conjugates as supramolecular gelators: design, synthesis, crystal structures and anti-melanoma property","CrystEngComm","2026","28","20","3210","3224","10.1039/D6CE00129G","","","0.71073","MoKα","","0.1869","0.1198","","","0.3398","0.378","","","","","","1.141","","","","has coordinates,has disorder","306362","2026-06-05","18:48:46",""
"7251901","19.98","0.02","4.808","0.005","14.863","0.012","90","","91.84","0.04","90","","1427","2","160","2","159.97","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 N4 O2 -","- C16 H14 N4 O2 -","- C64 H56 N16 O8 -","4","1","","Baskey, Manoj Kumar; Ghosh, Subhajit; Ahmed, Sabir; Dastidar, Parthasarathi","Carbamoyl azide–drug conjugates as supramolecular gelators: design, synthesis, crystal structures and anti-melanoma property","CrystEngComm","2026","28","20","3210","3224","10.1039/D6CE00129G","","x-ray","0.71073","MoKα","","0.188","0.1227","","","0.3035","0.3466","","","","","","1.026","","","","has coordinates","306362","2026-06-05","18:48:46",""
"7251902","8.423","0.002","9.815","0.002","11.557","0.002","101.688","0.007","101.38","0.007","92.361","0.008","913.9","0.3","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H40 Cu N8 O12 -","- C34 H40 Cu N8 O12 -","- C34 H40 Cu N8 O12 -","1","0.5","","Mondal, Dipayan; Mishra, Ashutosh Kumar","Diverting metal coordination site in flavin–copper complexes for distinct nanoparticle synthesis","CrystEngComm","2026","28","20","3225","3231","10.1039/D6CE00155F","","","0.71073","MoKα","","0.1374","0.0607","","","0.1268","0.1496","","","","","","1.069","","","","has coordinates","306364","2026-06-05","18:48:57",""
"7251903","33.82","0.004","10.7349","0.0009","8.6029","0.0011","90","","91.611","0.004","90","","3122.1","0.6","273.15","","273.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H13 Cu0.5 N4 O5 -","- C14 H13 Cu0.5 N4 O5 -","- C112 H104 Cu4 N32 O40 -","8","1","","Mondal, Dipayan; Mishra, Ashutosh Kumar","Diverting metal coordination site in flavin–copper complexes for distinct nanoparticle synthesis","CrystEngComm","2026","28","20","3225","3231","10.1039/D6CE00155F","","","0.71073","MoKα","","0.1131","0.0713","","","0.1796","0.2041","","","","","","1.032","","","","has coordinates","306364","2026-06-05","18:48:57",""
"7251904","6.2138","0.0005","19.5497","0.0016","8.9715","0.0009","90","","93.211","0.008","90","","1088.13","0.17","150","0.1","150.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H16 Br3 N3 -","- C4 H16 Br3 N3 -","- C16 H64 Br12 N12 -","4","1","","Ben Mahmoud, Iteb; Alghamdi, Mashael A.; Lazreg Aref, Houda; Mhadhbi, Noureddine; Nasrallah, Hossam H.; Guesmi, Ahlem; Ben Hamadi, Naoufel; Walha, Sandra; Costantino, Ferdinando; Naïli, Houcine","Diethylenetriamine-driven assembly of a dimeric cadmium bromide hybrid and an organic bromide salt: structural, vibrational, optical, in silico study and biological insights","RSC Advances","2026","16","23","20526","20543","10.1039/D6RA02827F","","","0.71073","MoKα","","0.0417","0.0357","","","0.0828","0.0876","","","","","","1.026","","","","has coordinates","305594","2026-04-22","01:09:01",""
"7251905","10.3311","0.0003","10.497","0.0002","14.6429","0.0003","90","","110.462","0.003","90","","1487.76","0.07","100","0.2","100.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C4 H18 Br5 Cd N3 O -","- C4 H18 Br5 Cd N3 O -","- C16 H72 Br20 Cd4 N12 O4 -","4","1","","Ben Mahmoud, Iteb; Alghamdi, Mashael A.; Lazreg Aref, Houda; Mhadhbi, Noureddine; Nasrallah, Hossam H.; Guesmi, Ahlem; Ben Hamadi, Naoufel; Walha, Sandra; Costantino, Ferdinando; Naïli, Houcine","Diethylenetriamine-driven assembly of a dimeric cadmium bromide hybrid and an organic bromide salt: structural, vibrational, optical, in silico study and biological insights","RSC Advances","2026","16","23","20526","20543","10.1039/D6RA02827F","","","0.71073","MoKα","","0.0475","0.0414","","","0.1025","0.1049","","","","","","1.062","","","","has coordinates","305594","2026-04-22","01:09:01",""
"7251906","11.129","0.003","13.616","0.003","26.345","0.006","90","","90","","90","","3992.1","1.7","110","","110","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C41 H54 Br2 N2 O2 Pt -","- C41 H54 Br2 N2 O2 Pt -","- C164 H216 Br8 N8 O8 Pt4 -","4","1","","Moustafa, Mohamed E.; Boyle, Paul D.; Puddephatt, Richard J.","Benzylidene insertion reactions in organoplatinum chemistry: mechanism and selectivity","RSC Advances","2026","16","23","20600","20608","10.1039/D6RA02340A","","","0.71073","MoKα","","0.0725","0.051","","","0.101","0.1095","","","","","","1.008","","","","has coordinates","305595","2026-04-22","01:09:11",""
"7251907","13.292","0.004","13.325","0.003","19.049","0.006","108.025","0.005","90.548","0.004","96.956","0.012","3180.7","1.6","110","","110","","","","","","","","","6","P -1","-P 1","2","","","","- C33.5 H35 Br2 Cl N2 Pt -","- C33.5 H35 Br2 Cl N2 Pt -","- C134 H140 Br8 Cl4 N8 Pt4 -","4","2","","Moustafa, Mohamed E.; Boyle, Paul D.; Puddephatt, Richard J.","Benzylidene insertion reactions in organoplatinum chemistry: mechanism and selectivity","RSC Advances","2026","16","23","20600","20608","10.1039/D6RA02340A","","","0.71073","MoKα","","0.047","0.0275","","","0.0534","0.0581","","","","","","1.013","","","","has coordinates,has disorder","305595","2026-04-22","01:09:11",""
"7251908","15.6361","0.0012","16.2505","0.0011","10.9406","0.0009","90","","108.354","0.003","90","","2638.5","0.3","298","2","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H28 N5 O3 -","- C31 H28 N5 O3 -","- C124 H112 N20 O12 -","4","1","","Rukyanaik, V.; Pradhan, Samata; Godugu, Chandraiah; Tothadi, Srinu; Rama Krishna, Kadiyam; Pawar, Ravinder; Basavoju, Srinivas","Regioselective Triclocarban-Catalyzed Synthesis of Spiroindeno- and Spirooxindolo-Pyrrolizidines with Apoptosis Induction in MCF-7 Cells","RSC Medicinal Chemistry","2026","","","","","10.1039/D6MD00132G","","","0.71073","MoKα","","0.1073","0.062","","","0.1544","0.2101","","","","","","1.131","","","","has coordinates","305599","2026-04-23","00:19:03",""
"7251909","16.053","0.0015","16.2367","0.0015","11.1482","0.001","90","","107.943","0.004","90","","2764.4","0.4","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H25 N5 O3 -","- C32 H25 N5 O3 -","- C128 H100 N20 O12 -","4","1","","Rukyanaik, V.; Pradhan, Samata; Godugu, Chandraiah; Tothadi, Srinu; Rama Krishna, Kadiyam; Pawar, Ravinder; Basavoju, Srinivas","Regioselective Triclocarban-Catalyzed Synthesis of Spiroindeno- and Spirooxindolo-Pyrrolizidines with Apoptosis Induction in MCF-7 Cells","RSC Medicinal Chemistry","2026","","","","","10.1039/D6MD00132G","","","0.71073","MoKα","","0.127","0.0791","","","0.2194","0.28","","","","","","1.156","","","","has coordinates,has disorder","305599","2026-04-23","00:19:03",""
"7251910","8.1104","0.0001","27.2387","0.0003","8.34","0.0001","90","","116.276","0.002","90","","1652.07","0.04","293","","293","","","","","","","","","2","C 1 c 1","C -2yc","9","","","","- C24 H14 -","- C24 H14 -","- C96 H56 -","4","1","","Yamamoto, Hikaru; Tsubakihara, Yoshichika; Sato-Tomita, Ayana; Jin, Mingoo","Stepwise introduction of dipole blades into triptycenes: opening the variety of crystalline molecular packing modes","CrystEngComm","2026","28","20","3166","3170","10.1039/D6CE00126B","","x-ray","1.54184","CuKα","","0.0288","0.0285","","","0.078","0.0783","","","","","","1.073","","","","has coordinates","306363","2026-06-05","18:48:54",""
"7251911","13.4142","0.0006","13.4142","0.0006","9.5889","0.0007","90","","90","","90","","1725.43","0.17","153","","153","","","","","","","","","3","P 41","P 4w","76","","","","- C24 H10 F4 -","- C24 H10 F4 -","- C96 H40 F16 -","4","1","","Yamamoto, Hikaru; Tsubakihara, Yoshichika; Sato-Tomita, Ayana; Jin, Mingoo","Stepwise introduction of dipole blades into triptycenes: opening the variety of crystalline molecular packing modes","CrystEngComm","2026","28","20","3166","3170","10.1039/D6CE00126B","","x-ray","1.54184","CuKα","","0.0627","0.0524","","","0.1282","0.1341","","","","","","1.071","","","","has coordinates,has disorder","306363","2026-06-05","18:48:54",""
"7251912","13.5057","0.0005","13.5057","0.0005","9.658","0.0006","90","","90","","90","","1761.66","0.14","293","","293","","","","","","","","","3","P 43","P 4cw","78","","","","- C24 H10 F4 -","- C24 H10 F4 -","- C96 H40 F16 -","4","1","","Yamamoto, Hikaru; Tsubakihara, Yoshichika; Sato-Tomita, Ayana; Jin, Mingoo","Stepwise introduction of dipole blades into triptycenes: opening the variety of crystalline molecular packing modes","CrystEngComm","2026","28","20","3166","3170","10.1039/D6CE00126B","","x-ray","1.54184","CuKα","","0.0618","0.0522","","","0.1544","0.1642","","","","","","1.091","","","","has coordinates,has disorder","306363","2026-06-05","18:48:54",""
"7251913","8.2024","0.0001","32.5749","0.0003","13.2511","0.0001","90","","101.794","0.001","90","","3465.85","0.06","293","","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H12 F2 -","- C24 H12 F2 -","- C192 H96 F16 -","8","2","","Yamamoto, Hikaru; Tsubakihara, Yoshichika; Sato-Tomita, Ayana; Jin, Mingoo","Stepwise introduction of dipole blades into triptycenes: opening the variety of crystalline molecular packing modes","CrystEngComm","2026","28","20","3166","3170","10.1039/D6CE00126B","","x-ray","0.75","synchrotron","","0.0708","0.0624","","","0.178","0.1845","","","","","","1.0398","","","","has coordinates,has disorder","306363","2026-06-05","18:48:54",""
"7251914","9.72848","0.00019","16.4054","0.0003","18.5653","0.0004","90","","90","","90","","2963.01","0.1","123","2","123","2","","","","","","","","6","P n a 21","P 2c -2n","33","Ir(tpy)2_Br3_2H2O","","","- C30 H26 Br3 Ir N6 O2 -","- C30 H26 Br3 Ir N6 O2 -","- C120 H104 Br12 Ir4 N24 O8 -","4","1","","Endo, Yusuke; Kondo, Mio; Nakamura, Tomoe; Hattori, Shingo; Sekine, Akiko; Kojo, Sosuke; Shinozaki, Kazuteru","Structure and luminescence colour change of an iridium(iii) bis-terpyridine complex crystal triggered by water sorption/desorption","CrystEngComm","2026","28","20","3259","3266","10.1039/D6CE00194G","","","0.71073","MoKα","","0.0362","0.0257","","","0.0525","0.0551","","","","","","1.048","","","","has coordinates","306361","2026-06-05","18:48:38",""
"7251915","9.1535","0.0003","10.7988","0.0002","18.2428","0.0003","76.4504","0.0015","88.342","0.002","87.051","0.002","1750.47","0.07","123","2","123","2","","","","","","","","6","P -1","-P 1","2","Ir(tpy)2_Br3_7H2O","","","- C30 H36 Br3 Ir N6 O7 -","- C30 H36 Br3 Ir N6 O7 -","- C60 H72 Br6 Ir2 N12 O14 -","2","1","","Endo, Yusuke; Kondo, Mio; Nakamura, Tomoe; Hattori, Shingo; Sekine, Akiko; Kojo, Sosuke; Shinozaki, Kazuteru","Structure and luminescence colour change of an iridium(iii) bis-terpyridine complex crystal triggered by water sorption/desorption","CrystEngComm","2026","28","20","3259","3266","10.1039/D6CE00194G","","","0.71073","MoKα","","0.0614","0.0552","","","0.1537","0.1562","","","","","","1.118","","","","has coordinates","306361","2026-06-05","18:48:38",""
"7251916","20.5106","0.0003","40.076","0.0005","38.3715","0.0005","90","","96.295","0.001","90","","31350.5","0.7","293","2","293","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C186 H204 N24 O30 -","- C186 H204 N24 O30 -","- C744 H816 N96 O120 -","4","0.5","","Sheng, Jiajia; Guo, Yanan; Zhang, Guoshi; Wang, Wenjing; Su, Kongzhao; Yuan, Daqiang","Robust ditopic enaminone-and hydrazone-linked aminefunctionalized porous organic cage for effective permanganate capture and conversion","CrystEngComm","2026","","","","","10.1039/D5CE01205H","","","1.54184","CuKα","","0.1354","0.1153","","","0.3696","0.386","","","","","","1.503","","","","has coordinates","305626","2026-04-24","23:25:24",""
"7251917","11.96646","0.00013","12.53123","0.00011","31.4793","0.0003","90","","90","","90","","4720.46","0.08","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H23 N9 O8 U -","- C18 H23 N9 O8 U -","- C144 H184 N72 O64 U8 -","8","1","","Khomenko, Dmytro M.; Vashchenko, Oleksandr V.; Doroshchuk, Roman O.; Starova, Viktoriya S.; Hreben, Mariia; Bukhanko, Valerii; Yatsymyrskyi, Andrii; Shova, Sergiu; Vassilyeva, Olga; Lampeka, Rostyslav","Novel hydroxyl-functionalized 1,2,4-triazole-based oligomers: synthetic approach, photoluminescence and coordination behaviour as uranyl chelators","CrystEngComm","2026","","","","","10.1039/D6CE00233A","","x-ray","1.54184","CuKα","","0.0293","0.0281","","","0.0767","0.0777","","","","","","1.06","","","","has coordinates","305645","2026-04-28","22:39:16",""
"7251918","9.0072","0.0002","9.8232","0.0003","9.9267","0.0003","97.77","0.002","111.665","0.002","107.395","0.002","748.48","0.04","199.9","0.3","199.9","0.3","","","","","","","","5","P -1","-P 1","2","","","","- C22 H30 N6 O12 U2 -","- C22 H30 N6 O12 U2 -","- C22 H30 N6 O12 U2 -","1","0.5","","Khomenko, Dmytro M.; Vashchenko, Oleksandr V.; Doroshchuk, Roman O.; Starova, Viktoriya S.; Hreben, Mariia; Bukhanko, Valerii; Yatsymyrskyi, Andrii; Shova, Sergiu; Vassilyeva, Olga; Lampeka, Rostyslav","Novel hydroxyl-functionalized 1,2,4-triazole-based oligomers: synthetic approach, photoluminescence and coordination behaviour as uranyl chelators","CrystEngComm","2026","","","","","10.1039/D6CE00233A","","","0.71073","MoKα","","0.0182","0.0166","","","0.0404","0.041","","","","","","1.039","","","","has coordinates","305645","2026-04-28","22:39:16",""
"7251919","8.7756","0.0004","12.527","0.0007","21.5024","0.001","101.918","0.004","98.113","0.004","93.752","0.004","2278.8","0.2","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H48 N16 O12 U2 -","- C36 H48 N16 O12 U2 -","- C72 H96 N32 O24 U4 -","2","1","","Khomenko, Dmytro M.; Vashchenko, Oleksandr V.; Doroshchuk, Roman O.; Starova, Viktoriya S.; Hreben, Mariia; Bukhanko, Valerii; Yatsymyrskyi, Andrii; Shova, Sergiu; Vassilyeva, Olga; Lampeka, Rostyslav","Novel hydroxyl-functionalized 1,2,4-triazole-based oligomers: synthetic approach, photoluminescence and coordination behaviour as uranyl chelators","CrystEngComm","2026","","","","","10.1039/D6CE00233A","","","0.71073","MoKα","","0.0668","0.0477","","","0.0986","0.1091","","","","","","1.022","","","","has coordinates,has disorder","305645","2026-04-28","22:39:16",""
"7251920","8.6939","0.0015","20.983","0.004","9.7236","0.0017","90","","116.045","0.005","90","","1593.7","0.5","300","2","300","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H17 N O4 -","- C20 H17 N O4 -","- C80 H68 N4 O16 -","4","1","","Begum, Rujuma; Maiti, Barnali","A sustainable one-pot multi-component approach toward the synthesis of symmetric and unsymmetrical spiro heterocycles catalyzed by the Brønsted acidic ionic liquid [CMMIM][BF4]","RSC Advances","2026","16","24","21953","21966","10.1039/D6RA01721E","","","0.71073","MoKα","","0.0768","0.0482","","","0.1021","0.1217","","","","","","1.066","","","","has coordinates","305654","2026-04-29","01:28:28",""
"7251921","9.18","0.0007","10.8402","0.0008","11.1726","0.0009","71.138","0.003","89.122","0.003","73.437","0.003","1004.83","0.14","302","2","302","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H20 N4 O4 -","- C23 H20 N4 O4 -","- C46 H40 N8 O8 -","2","1","","Begum, Rujuma; Maiti, Barnali","A sustainable one-pot multi-component approach toward the synthesis of symmetric and unsymmetrical spiro heterocycles catalyzed by the Brønsted acidic ionic liquid [CMMIM][BF4]","RSC Advances","2026","16","24","21953","21966","10.1039/D6RA01721E","","","0.71073","MoKα","","0.1059","0.0626","","","0.1519","0.1963","","","","","","1.072","","","","has coordinates","305654","2026-04-29","01:28:28",""
"7251922","8.5244","0.0004","11.6767","0.0005","19.3306","0.0008","90","","99.081","0.001","90","","1899.99","0.14","300","2","300","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H22 N2 O5 -","- C21 H22 N2 O5 -","- C84 H88 N8 O20 -","4","1","","Begum, Rujuma; Maiti, Barnali","A sustainable one-pot multi-component approach toward the synthesis of symmetric and unsymmetrical spiro heterocycles catalyzed by the Brønsted acidic ionic liquid [CMMIM][BF4]","RSC Advances","2026","16","24","21953","21966","10.1039/D6RA01721E","","","0.71073","MoKα","","0.0767","0.0511","","","0.1106","0.129","","","","","","1.082","","","","has coordinates","305654","2026-04-29","01:28:28",""
"7251923","6.7147","0.0003","9.8221","0.0005","10.1044","0.0006","66.861","0.003","73.272","0.002","73.338","0.003","575.35","0.05","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H14 N2 O8 P2 -","- C6 H14 N2 O8 P2 -","- C12 H28 N4 O16 P4 -","2","1","","Ghoudi, Arafet; Weslati, Najoua; Alsobai, Nourah A.; Alghamdi, Noweir Ahmad; Rekik, Walid; Oueslati, Abderrazek","New hybrid compound (C6H10N2)(H2PO4)2: insights into its structural, optical, and electrical behavior for electronic applications","RSC Advances","2026","16","25","22514","22529","10.1039/D5RA08777E","","","0.71073","MoKα","","0.0432","0.0355","","","0.0888","0.0938","","","","","","1.038","","","","has coordinates","305681","2026-05-01","01:13:51",""
"7251924","11.0805","0.0001","11.0805","0.0001","8.3974","0.0001","90","","90","","120","","892.882","0.016","160","2","160","2","","","","","","","","5","P 3 1 m","P 3 -2","157","","","","- Cu5 I K O10 V2 -","- Cu5 I K1.00267 O10 V2 -","- Cu15 I3 K3.008 O30 V6 -","3","0.5","","Kornyakov, Ilya V.; Bubnova, Olga; Kalinichev, Alexey A.; Likholetova, Marina V.; Krivovichev, Sergey V.","Subtle symmetry breaking in averievite-related compounds, (MX)Cu5O2(VO4)2 (MX = CsBr, CsI, RbBr, RbI and KI)","CrystEngComm","2026","","","","","10.1039/D5CE00495K","","x-ray","0.71073","MoKα","","0.0277","0.0257","","","0.0676","0.0685","","","","","","1.067","","","","has coordinates","305685","2026-05-01","22:37:25",""
"7251925","11.1159","0.0002","11.1159","0.0002","8.3957","0.0001","90","","90","","120","","898.41","0.03","380","0.1","380","0.1","","","","","","","","5","P 3 1 m","P 3 -2","157","","","","- Cu5 I K O10 V2 -","- Cu5 I K0.998 O10 V2 -","- Cu15 I3 K2.994 O30 V6 -","3","0.5","","Kornyakov, Ilya V.; Bubnova, Olga; Kalinichev, Alexey A.; Likholetova, Marina V.; Krivovichev, Sergey V.","Subtle symmetry breaking in averievite-related compounds, (MX)Cu5O2(VO4)2 (MX = CsBr, CsI, RbBr, RbI and KI)","CrystEngComm","2026","","","","","10.1039/D5CE00495K","","x-ray","0.71073","MoKα","","0.0441","0.0333","","","0.0889","0.0945","","","","","","1.058","","","","has coordinates","305685","2026-05-01","22:37:25",""
"7251926","11.1188","0.0002","11.1188","0.0002","8.3948","0.0002","90","","90","","120","","898.79","0.03","400","0.1","400","0.1","","","","","","","","5","P 3 1 m","P 3 -2","157","","","","- Cu5 I K O10 V2 -","- Cu5 I K1.002 O10 V2 -","- Cu15 I3 K3.006 O30 V6 -","3","0.5","","Kornyakov, Ilya V.; Bubnova, Olga; Kalinichev, Alexey A.; Likholetova, Marina V.; Krivovichev, Sergey V.","Subtle symmetry breaking in averievite-related compounds, (MX)Cu5O2(VO4)2 (MX = CsBr, CsI, RbBr, RbI and KI)","CrystEngComm","2026","","","","","10.1039/D5CE00495K","","x-ray","0.71073","MoKα","","0.0476","0.035","","","0.0941","0.1011","","","","","","1.063","","","","has coordinates","305685","2026-05-01","22:37:25",""
"7251927","11.0857","0.0001","11.0857","0.0001","8.3959","0.0001","90","","90","","120","","893.561","0.016","200","2","200","2","","","","","","","","5","P 3 1 m","P 3 -2","157","","","","- Cu5 I K O10 V2 -","- Cu5 I K1.00133 O10 V2 -","- Cu15 I3 K3.004 O30 V6 -","3","0.5","","Kornyakov, Ilya V.; Bubnova, Olga; Kalinichev, Alexey A.; Likholetova, Marina V.; Krivovichev, Sergey V.","Subtle symmetry breaking in averievite-related compounds, (MX)Cu5O2(VO4)2 (MX = CsBr, CsI, RbBr, RbI and KI)","CrystEngComm","2026","","","","","10.1039/D5CE00495K","","x-ray","0.71073","MoKα","","0.0276","0.0248","","","0.0655","0.0667","","","","","","1.081","","","","has coordinates","305685","2026-05-01","22:37:25",""
"7251928","11.0911","0.0001","11.0911","0.0001","8.3954","0.0001","90","","90","","120","","894.378","0.016","240","2","240","2","","","","","","","","5","P 3 1 m","P 3 -2","157","","","","- Cu5 I K O10 V2 -","- Cu5 I K0.999333 O10 V2 -","- Cu15 I3 K2.998 O30 V6 -","3","0.5","","Kornyakov, Ilya V.; Bubnova, Olga; Kalinichev, Alexey A.; Likholetova, Marina V.; Krivovichev, Sergey V.","Subtle symmetry breaking in averievite-related compounds, (MX)Cu5O2(VO4)2 (MX = CsBr, CsI, RbBr, RbI and KI)","CrystEngComm","2026","","","","","10.1039/D5CE00495K","","x-ray","0.71073","MoKα","","0.0305","0.0262","","","0.0682","0.0703","","","","","","1.051","","","","has coordinates","305685","2026-05-01","22:37:25",""
"7251929","11.0771","0.0001","11.0771","0.0001","8.3976","0.0001","90","","90","","120","","892.356","0.016","140","2","140","2","","","","","","","","5","P 3 1 m","P 3 -2","157","","","","- Cu5 I K O10 V2 -","- Cu5 I K O10 V2 -","- Cu15 I3 K3 O30 V6 -","3","0.5","","Kornyakov, Ilya V.; Bubnova, Olga; Kalinichev, Alexey A.; Likholetova, Marina V.; Krivovichev, Sergey V.","Subtle symmetry breaking in averievite-related compounds, (MX)Cu5O2(VO4)2 (MX = CsBr, CsI, RbBr, RbI and KI)","CrystEngComm","2026","","","","","10.1039/D5CE00495K","","x-ray","0.71073","MoKα","","0.027","0.0254","","","0.0672","0.0679","","","","","","1.055","","","","has coordinates","305685","2026-05-01","22:37:25",""
"7251930","11.0752","0.0001","11.0752","0.0001","8.398","0.0001","90","","90","","120","","892.092","0.016","120","2","120","2","","","","","","","","5","P 3 1 m","P 3 -2","157","","","","- Cu5 I K O10 V2 -","- Cu5 I K O10 V2 -","- Cu15 I3 K3 O30 V6 -","3","0.5","","Kornyakov, Ilya V.; Bubnova, Olga; Kalinichev, Alexey A.; Likholetova, Marina V.; Krivovichev, Sergey V.","Subtle symmetry breaking in averievite-related compounds, (MX)Cu5O2(VO4)2 (MX = CsBr, CsI, RbBr, RbI and KI)","CrystEngComm","2026","","","","","10.1039/D5CE00495K","","x-ray","0.71073","MoKα","","0.0265","0.0252","","","0.0657","0.0663","","","","","","1.052","","","","has coordinates","305685","2026-05-01","22:37:25",""
"7251931","11.1108","0.0002","11.1108","0.0002","8.394","0.0001","90","","90","","120","","897.41","0.03","360","0.1","360","0.1","","","","","","","","5","P 3 1 m","P 3 -2","157","","","","- Cu5 I K O10 V2 -","- Cu5 I K1.00067 O10 V2 -","- Cu15 I3 K3.002 O30 V6 -","3","0.5","","Kornyakov, Ilya V.; Bubnova, Olga; Kalinichev, Alexey A.; Likholetova, Marina V.; Krivovichev, Sergey V.","Subtle symmetry breaking in averievite-related compounds, (MX)Cu5O2(VO4)2 (MX = CsBr, CsI, RbBr, RbI and KI)","CrystEngComm","2026","","","","","10.1039/D5CE00495K","","x-ray","0.71073","MoKα","","0.0415","0.032","","","0.0867","0.0916","","","","","","1.079","","","","has coordinates","305685","2026-05-01","22:37:25",""
"7251932","11.0882","0.0001","11.0882","0.0001","8.3952","0.0001","90","","90","","120","","893.889","0.016","220","2","220","2","","","","","","","","5","P 3 1 m","P 3 -2","157","","","","- Cu5 I K O10 V2 -","- Cu5 I K0.999333 O10 V2 -","- Cu15 I3 K2.998 O30 V6 -","3","0.5","","Kornyakov, Ilya V.; Bubnova, Olga; Kalinichev, Alexey A.; Likholetova, Marina V.; Krivovichev, Sergey V.","Subtle symmetry breaking in averievite-related compounds, (MX)Cu5O2(VO4)2 (MX = CsBr, CsI, RbBr, RbI and KI)","CrystEngComm","2026","","","","","10.1039/D5CE00495K","","x-ray","0.71073","MoKα","","0.0291","0.0256","","","0.0672","0.0688","","","","","","1.065","","","","has coordinates","305685","2026-05-01","22:37:25",""
"7251933","11.0963","0.0002","11.0963","0.0002","8.394","0.0001","90","","90","","120","","895.07","0.03","280","0.3","280","0.3","","","","","","","","5","P 3 1 m","P 3 -2","157","","","","- Cu5 I K O10 V2 -","- Cu5 I K0.999333 O10 V2 -","- Cu15 I3 K2.998 O30 V6 -","3","0.5","","Kornyakov, Ilya V.; Bubnova, Olga; Kalinichev, Alexey A.; Likholetova, Marina V.; Krivovichev, Sergey V.","Subtle symmetry breaking in averievite-related compounds, (MX)Cu5O2(VO4)2 (MX = CsBr, CsI, RbBr, RbI and KI)","CrystEngComm","2026","","","","","10.1039/D5CE00495K","","x-ray","0.71073","MoKα","","0.0335","0.0278","","","0.0713","0.0742","","","","","","1.062","","","","has coordinates","305685","2026-05-01","22:37:25",""
"7251934","6.3869","0.0001","6.3869","0.0001","8.3862","0.0002","90","","90","","120","","296.262","0.01","160","2","160","2","","","","","","","","5","P -3 m 1","-P 3 2""","164","","","","- Br Cs Cu5 O10 V2 -","- Br Cs0.998 Cu5 O10 V2 -","- Br Cs0.998 Cu5 O10 V2 -","1","0.0833333","","Kornyakov, Ilya V.; Bubnova, Olga; Kalinichev, Alexey A.; Likholetova, Marina V.; Krivovichev, Sergey V.","Subtle symmetry breaking in averievite-related compounds, (MX)Cu5O2(VO4)2 (MX = CsBr, CsI, RbBr, RbI and KI)","CrystEngComm","2026","","","","","10.1039/D5CE00495K","","x-ray","0.71073","MoKα","","0.0261","0.0247","","","0.064","0.0644","","","","","","1.083","","","","has coordinates","305685","2026-05-01","22:37:25",""
"7251935","11.0737","0.0001","11.0737","0.0001","8.3989","0.0001","90","","90","","120","","891.946","0.016","100","2","100","2","","","","","","","","5","P 3 1 m","P 3 -2","157","","","","- Cu5 I K O10 V2 -","- Cu5 I K0.999333 O10 V2 -","- Cu15 I3 K2.998 O30 V6 -","3","0.5","","Kornyakov, Ilya V.; Bubnova, Olga; Kalinichev, Alexey A.; Likholetova, Marina V.; Krivovichev, Sergey V.","Subtle symmetry breaking in averievite-related compounds, (MX)Cu5O2(VO4)2 (MX = CsBr, CsI, RbBr, RbI and KI)","CrystEngComm","2026","","","","","10.1039/D5CE00495K","","x-ray","0.71073","MoKα","","0.0257","0.0245","","","0.0636","0.0643","","","","","","1.034","","","","has coordinates","305685","2026-05-01","22:37:25",""
"7251936","10.9371","0.0008","6.3463","0.0005","16.2846","0.0013","90","","92.425","0.006","90","","1129.3","0.15","100","1","100","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Cs Cu5 I O10 P2 -","- Cs Cu5 I O10 P2 -","- Cs4 Cu20 I4 O40 P8 -","4","0.5","","Kornyakov, Ilya V.; Bubnova, Olga; Kalinichev, Alexey A.; Likholetova, Marina V.; Krivovichev, Sergey V.","Subtle symmetry breaking in averievite-related compounds, (MX)Cu5O2(VO4)2 (MX = CsBr, CsI, RbBr, RbI and KI)","CrystEngComm","2026","","","","","10.1039/D5CE00495K","","x-ray","0.71073","MoKα","","0.0487","0.0416","","","0.1028","0.1072","","","","","","1.046","","","","has coordinates","305685","2026-05-01","22:37:25",""
"7251937","11.1063","0.0002","11.1063","0.0002","8.3936","0.0001","90","","90","","120","","896.64","0.03","340","0.1","340","0.1","","","","","","","","5","P 3 1 m","P 3 -2","157","","","","- Cu5 I K O10 V2 -","- Cu5 I K1.004 O10 V2 -","- Cu15 I3 K3.012 O30 V6 -","3","0.5","","Kornyakov, Ilya V.; Bubnova, Olga; Kalinichev, Alexey A.; Likholetova, Marina V.; Krivovichev, Sergey V.","Subtle symmetry breaking in averievite-related compounds, (MX)Cu5O2(VO4)2 (MX = CsBr, CsI, RbBr, RbI and KI)","CrystEngComm","2026","","","","","10.1039/D5CE00495K","","x-ray","0.71073","MoKα","","0.0392","0.0309","","","0.083","0.087","","","","","","1.102","","","","has coordinates","305685","2026-05-01","22:37:25",""
"7251938","6.3858","0.0001","6.3858","0.0001","8.3842","0.0002","90","","90","","120","","296.089","0.01","140","2","140","2","","","","","","","","5","P -3 m 1","-P 3 2""","164","","","","- Br Cs Cu5 O10 V2 -","- Br Cs Cu5 O10 V2 -","- Br Cs Cu5 O10 V2 -","1","0.0833333","","Kornyakov, Ilya V.; Bubnova, Olga; Kalinichev, Alexey A.; Likholetova, Marina V.; Krivovichev, Sergey V.","Subtle symmetry breaking in averievite-related compounds, (MX)Cu5O2(VO4)2 (MX = CsBr, CsI, RbBr, RbI and KI)","CrystEngComm","2026","","","","","10.1039/D5CE00495K","","x-ray","0.71073","MoKα","","0.0268","0.025","","","0.0645","0.0652","","","","","","1.111","","","","has coordinates","305685","2026-05-01","22:37:25",""
"7251939","6.26222","0.00015","6.26222","0.00015","8.2422","0.0002","90","","90","","120","","279.918","0.012","296","2","296","2","","","","","","","","5","P -3 m 1","-P 3 2""","164","","","","- Cs Cu5 I O10 P2 -","- Cs1.0002 Cu5.02 I O10 P2 -","- Cs1.0002 Cu5.02 I O10 P2 -","1","0.0833333","","Kornyakov, Ilya V.; Bubnova, Olga; Kalinichev, Alexey A.; Likholetova, Marina V.; Krivovichev, Sergey V.","Subtle symmetry breaking in averievite-related compounds, (MX)Cu5O2(VO4)2 (MX = CsBr, CsI, RbBr, RbI and KI)","CrystEngComm","2026","","","","","10.1039/D5CE00495K","","x-ray","0.71073","MoKα","","0.012","0.0097","","","0.024","0.0244","","","","","","1.082","","","","has coordinates","305685","2026-05-01","22:37:25",""
"7251940","11.0993","0.0002","11.0993","0.0002","8.394","0.0001","90","","90","","120","","895.55","0.03","300","0.1","300","0.1","","","","","","","","5","P 3 1 m","P 3 -2","157","","","","- Cu5 I K O10 V2 -","- Cu5 I K0.996667 O10 V2 -","- Cu15 I3 K2.99 O30 V6 -","3","0.5","","Kornyakov, Ilya V.; Bubnova, Olga; Kalinichev, Alexey A.; Likholetova, Marina V.; Krivovichev, Sergey V.","Subtle symmetry breaking in averievite-related compounds, (MX)Cu5O2(VO4)2 (MX = CsBr, CsI, RbBr, RbI and KI)","CrystEngComm","2026","","","","","10.1039/D5CE00495K","","x-ray","0.71073","MoKα","","0.0346","0.0284","","","0.0709","0.0736","","","","","","1.055","","","","has coordinates","305685","2026-05-01","22:37:25",""
"7251941","11.1026","0.0002","11.1026","0.0002","8.3948","0.0001","90","","90","","120","","896.17","0.03","320","0.1","320","0.1","","","","","","","","5","P 3 1 m","P 3 -2","157","","","","- Cu5 I K O10 V2 -","- Cu5 I K0.997333 O10 V2 -","- Cu15 I3 K2.992 O30 V6 -","3","0.5","","Kornyakov, Ilya V.; Bubnova, Olga; Kalinichev, Alexey A.; Likholetova, Marina V.; Krivovichev, Sergey V.","Subtle symmetry breaking in averievite-related compounds, (MX)Cu5O2(VO4)2 (MX = CsBr, CsI, RbBr, RbI and KI)","CrystEngComm","2026","","","","","10.1039/D5CE00495K","","x-ray","0.71073","MoKα","","0.0369","0.0291","","","0.0783","0.0822","","","","","","1.078","","","","has coordinates","305685","2026-05-01","22:37:25",""
"7251942","11.0828","0.0001","11.0828","0.0001","8.3957","0.0001","90","","90","","120","","893.072","0.016","180","2","180","2","","","","","","","","5","P 3 1 m","P 3 -2","157","","","","- Cu5 I K O10 V2 -","- Cu5 I K O10 V2 -","- Cu15 I3 K3 O30 V6 -","3","0.5","","Kornyakov, Ilya V.; Bubnova, Olga; Kalinichev, Alexey A.; Likholetova, Marina V.; Krivovichev, Sergey V.","Subtle symmetry breaking in averievite-related compounds, (MX)Cu5O2(VO4)2 (MX = CsBr, CsI, RbBr, RbI and KI)","CrystEngComm","2026","","","","","10.1039/D5CE00495K","","x-ray","0.71073","MoKα","","0.0289","0.0265","","","0.07","0.071","","","","","","1.067","","","","has coordinates","305685","2026-05-01","22:37:25",""
"7251943","6.3867","0.0001","6.3867","0.0001","8.3861","0.0002","90","","90","","120","","296.24","0.01","180","2","180","2","","","","","","","","5","P -3 m 1","-P 3 2""","164","","","","- Br Cs Cu5 O10 V2 -","- Br Cs1.012 Cu5 O10 V2 -","- Br Cs1.012 Cu5 O10 V2 -","1","0.0833333","","Kornyakov, Ilya V.; Bubnova, Olga; Kalinichev, Alexey A.; Likholetova, Marina V.; Krivovichev, Sergey V.","Subtle symmetry breaking in averievite-related compounds, (MX)Cu5O2(VO4)2 (MX = CsBr, CsI, RbBr, RbI and KI)","CrystEngComm","2026","","","","","10.1039/D5CE00495K","","x-ray","0.71073","MoKα","","0.0266","0.025","","","0.0643","0.0649","","","","","","1.085","","","","has coordinates","305685","2026-05-01","22:37:25",""
"7251944","11.0934","0.0001","11.0934","0.0001","8.3944","0.0001","90","","90","","120","","894.643","0.016","260","0.2","260","0.2","","","","","","","","5","P 3 1 m","P 3 -2","157","","","","- Cu5 I K O10 V2 -","- Cu5 I0.999967 K1.00133 O10 V2 -","- Cu15 I2.9999 K3.004 O30 V6 -","3","0.5","","Kornyakov, Ilya V.; Bubnova, Olga; Kalinichev, Alexey A.; Likholetova, Marina V.; Krivovichev, Sergey V.","Subtle symmetry breaking in averievite-related compounds, (MX)Cu5O2(VO4)2 (MX = CsBr, CsI, RbBr, RbI and KI)","CrystEngComm","2026","","","","","10.1039/D5CE00495K","","x-ray","0.71073","MoKα","","0.0318","0.0274","","","0.0714","0.0733","","","","","","1.054","","","","has coordinates","305685","2026-05-01","22:37:25",""
"7251945","10.24","0.009","6.055","0.005","9.734","0.008","90","","108.636","0.017","90","","571.9","0.8","215","2","215.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","isobutyramide","2-methylpropionamide","","- C4 H9 N O -","- C4 H9 N O -","- C16 H36 N4 O4 -","4","1","","Krivoshein, Arcadius V.; Fonari, Marina S.; Averkiev, Boris B.; Khrustalev, Victor N.; Sena, Victoria; Timofeeva, Tatiana V.","Structural determinants of H-bonded layer and ribbon formation in crystals of α-, β-, and γ-substituted primary amides","CrystEngComm","2026","28","16","2648","2657","10.1039/D6CE00075D","","","0.71073","MoKα","","0.0645","0.0582","","","0.1783","0.1892","","","","","","1.079","","","","has coordinates","305702","2026-05-04","07:06:44",""
"7251946","22.649","0.015","6.262","0.004","9.768","0.006","90","","100.597","0.009","90","","1361.7","1.5","215","2","215.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","isovaleramide","3-methylbutyramide","","- C5 H11 N O -","- C5 H11 N O -","- C40 H88 N8 O8 -","8","1","","Krivoshein, Arcadius V.; Fonari, Marina S.; Averkiev, Boris B.; Khrustalev, Victor N.; Sena, Victoria; Timofeeva, Tatiana V.","Structural determinants of H-bonded layer and ribbon formation in crystals of α-, β-, and γ-substituted primary amides","CrystEngComm","2026","28","16","2648","2657","10.1039/D6CE00075D","","","0.71073","MoKα","","0.1108","0.0751","","","0.2165","0.2485","","","","","","1.047","","","","has coordinates","305702","2026-05-04","07:06:44",""
"7251947","14.598","0.004","6.1587","0.0019","10.129","0.003","90","","105.121","0.004","90","","879.1","0.4","100","2","100.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-methyl-2-phenylpropionamide","","- C10 H13 N O -","- C10 H13 N O -","- C40 H52 N4 O4 -","4","1","","Krivoshein, Arcadius V.; Fonari, Marina S.; Averkiev, Boris B.; Khrustalev, Victor N.; Sena, Victoria; Timofeeva, Tatiana V.","Structural determinants of H-bonded layer and ribbon formation in crystals of α-, β-, and γ-substituted primary amides","CrystEngComm","2026","28","16","2648","2657","10.1039/D6CE00075D","","","0.71073","MoKα","","0.0391","0.0366","","","0.0989","0.1015","","","","","","1.057","","","","has coordinates","305702","2026-05-04","07:06:44",""
"7251948","16.333","0.011","6.118","0.004","8.926","0.006","90","","90.79","0.012","90","","891.8","1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-phenylbutyramide","","- C10 H13 N O -","- C10 H13 N O -","- C40 H52 N4 O4 -","4","1","","Krivoshein, Arcadius V.; Fonari, Marina S.; Averkiev, Boris B.; Khrustalev, Victor N.; Sena, Victoria; Timofeeva, Tatiana V.","Structural determinants of H-bonded layer and ribbon formation in crystals of α-, β-, and γ-substituted primary amides","CrystEngComm","2026","28","16","2648","2657","10.1039/D6CE00075D","","","0.71073","MoKα","","0.0837","0.0725","","","0.2095","0.2137","","","","","","0.99","","","","has coordinates","305702","2026-05-04","07:06:44",""
"7251949","5.0331","0.0012","7.954","0.0019","12.55","0.003","98.921","0.006","101.549","0.004","99.419","0.004","476.4","0.2","200","2","200.15","","","","","","","","","4","P -1","-P 1","2","valpromide","2-propylvaleramide","","- C8 H17 N O -","- C8 H17 N O -","- C16 H34 N2 O2 -","2","1","","Krivoshein, Arcadius V.; Fonari, Marina S.; Averkiev, Boris B.; Khrustalev, Victor N.; Sena, Victoria; Timofeeva, Tatiana V.","Structural determinants of H-bonded layer and ribbon formation in crystals of α-, β-, and γ-substituted primary amides","CrystEngComm","2026","28","16","2648","2657","10.1039/D6CE00075D","","","0.71073","MoKα","","0.1178","0.0769","","","0.2151","0.2454","","","","","","1.069","","","","has coordinates,has disorder","305702","2026-05-04","07:06:44",""
"7251950","19.433","0.009","11.133","0.005","27.951","0.013","90","","90.386","0.006","90","","6047","5","215","2","215.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-phenylacetamide","","- C8 H9 N O -","- C8 H9 N O -","- C256 H288 N32 O32 -","32","4","","Krivoshein, Arcadius V.; Fonari, Marina S.; Averkiev, Boris B.; Khrustalev, Victor N.; Sena, Victoria; Timofeeva, Tatiana V.","Structural determinants of H-bonded layer and ribbon formation in crystals of α-, β-, and γ-substituted primary amides","CrystEngComm","2026","28","16","2648","2657","10.1039/D6CE00075D","","","0.71073","MoKα","","0.1804","0.0653","","","0.1433","0.1897","","","","","","0.975","","","","has coordinates","305702","2026-05-04","07:06:44",""
"7251951","8.1134","0.0001","9.4936","0.0002","10.4731","0.0002","90","","103.067","0.007","90","","785.81","0.03","296.15","","296.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","D,L-tagatose","","- C6 H12 O6 -","- C6 H12 O6 -","- C24 H48 O24 -","4","1","","Takashita, Tomoko; Takata, Ryunosuke; Aoe, Mizuki; Takeshita, Kei; Ishii, Tomohiko","Complete structural and electronic comparison of chiral and racemic ketohexoses: hydrogen-bond network topology and interaction strength distribution","CrystEngComm","2026","28","21","3387","3395","10.1039/D6CE00205F","","","1.5418","CuKα","","0.0407","0.0377","","","0.0969","0.0996","","","","","","1.119","","","","has coordinates","306375","2026-06-05","18:50:41",""
"7251952","14.52","0.0012","5.6989","0.0005","22.0975","0.0017","90","","106.478","0.002","90","","1753.4","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 N O S -","- C22 H17 N O S -","- C88 H68 N4 O4 S4 -","4","1","","Roy, Palash; Das, Rohan Chandra; Biju, Akkattu T.","Temperature-controlled divergent reactions of bicyclo[1.1.0] butanes with thiocyanate-based protic ionic liquids","Green Chemistry","2026","28","20","8593","8603","10.1039/D6GC01320A","","","0.71073","MoKα","","0.1029","0.056","","","0.1365","0.1602","","","","","","0.97","","","","has coordinates","306445","2026-06-05","19:22:13",""
"7251953","18.5647","0.0009","7.4927","0.0004","12.369","0.0006","90","","104.798","0.002","90","","1663.46","0.15","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 N O S -","- C22 H17 N O S -","- C88 H68 N4 O4 S4 -","4","1","","Roy, Palash; Das, Rohan Chandra; Biju, Akkattu T.","Temperature-controlled divergent reactions of bicyclo[1.1.0] butanes with thiocyanate-based protic ionic liquids","Green Chemistry","2026","28","20","8593","8603","10.1039/D6GC01320A","","x-ray","0.71073","MoKα","","0.0472","0.042","","","0.0991","0.1016","","","","","","1.129","","","","has coordinates","306445","2026-06-05","19:22:13",""
"7251954","18.837","0.005","5.9783","0.0015","16.831","0.004","90","","111.008","0.006","90","","1769.4","0.8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 N O S -","- C22 H17 N O S -","- C88 H68 N4 O4 S4 -","4","1","","Roy, Palash; Das, Rohan Chandra; Biju, Akkattu T.","Temperature-controlled divergent reactions of bicyclo[1.1.0] butanes with thiocyanate-based protic ionic liquids","Green Chemistry","2026","28","20","8593","8603","10.1039/D6GC01320A","","","0.71073","MoKα","","0.0505","0.0428","","","0.111","0.1177","","","","","","1.039","","","","has coordinates","306445","2026-06-05","19:22:13",""
"7251955","11.0461","0.0008","19.0641","0.0014","8.7989","0.0006","90","","100.353","0.002","90","","1822.7","0.2","120","","120","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 Au Cl N2 P -","- C18 H17 Au Cl N2 P -","- C72 H68 Au4 Cl4 N8 P4 -","4","1","","Zhao, Yilin; Lou, Zhangrong; Fan, Zhenhua; Yamaguchi, Masahiko; Zhang, Sheng; Bao, Ming","Synergistic Au–Pd catalysis of Sonogashira couplings of terminal alkynes with aryl iodides in water","Green Chemistry","2026","28","20","8397","8404","10.1039/D6GC00513F","","","0.71073","MoKα","","0.0382","0.0296","","","0.0652","0.0678","","","","","","1.036","","","","has coordinates","306446","2026-06-05","19:22:16",""
"7251956","10.4182","0.001","10.9215","0.001","12.9047","0.0012","78.837","0.004","69.941","0.004","61.54","0.004","1211.8","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H23 Cl N8 O4 Pb S2 -","- C18 H23 Cl N8 O4 Pb S2 -","- C36 H46 Cl2 N16 O8 Pb2 S4 -","2","1","","Adhikari, Suman; Nath, Sourav; Kaminsky, Werner; Krajewski, Sebastian; Shukla, Rahul; Roy, Subhadip","Dative and Noncovalent Tetrel Bonding in Hemidirected Pb(II) Complexes with Thiosemicarbazone and Hydrazone Ligands: Significance in Crystal Packing and Computational Insights into Pb•••N/S/O Interactions","CrystEngComm","2026","","","","","10.1039/D6CE00202A","","x-ray","0.71073","MoKα","","0.0223","0.021","","","0.0507","0.0512","","","","","","1.057","","","","has coordinates","305874","2026-05-05","22:39:38",""
"7251957","11.4145","0.0003","15.5121","0.0005","18.7691","0.0006","90","","100.922","0.002","90","","3263.11","0.17","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H32 N6 O9 Pb2 S -","- C30 H32 N6 O9 Pb2 S -","- C120 H128 N24 O36 Pb8 S4 -","4","1","","Adhikari, Suman; Nath, Sourav; Kaminsky, Werner; Krajewski, Sebastian; Shukla, Rahul; Roy, Subhadip","Dative and Noncovalent Tetrel Bonding in Hemidirected Pb(II) Complexes with Thiosemicarbazone and Hydrazone Ligands: Significance in Crystal Packing and Computational Insights into Pb•••N/S/O Interactions","CrystEngComm","2026","","","","","10.1039/D6CE00202A","","x-ray","0.71073","MoKα","","0.0575","0.0356","","","0.0816","0.0889","","","","","","1.015","","","","has coordinates","305874","2026-05-05","22:39:38",""
"7251958","9.5271","0.0001","13.7081","0.0002","16.4123","0.0003","91.378","0.001","99.786","0.001","101.911","0.001","2062.87","0.05","200","","200","","","","","","","","","6","P -1","-P 1","2","","","","- C46 H34 N2 O11 S Zn -","- C46 H34 N2 O11 S Zn -","- C92 H68 N4 O22 S2 Zn2 -","2","1","","Zhang, Chen-Ran; Xiao, Ming; Ding, Qun-Shan; Li, Linke; Zhao, Xueli; Zang, Shuang-Quan","Multi-Stimuli Chromic Responses (Light/Electro/Amino-) in Zn/Cd-Extended Viologen Materials toward Information Encryption","CrystEngComm","2026","","","","","10.1039/D6CE00124F","","x-ray","1.54184","CuKα","","0.0508","0.0432","","","0.1155","0.1197","","","","","","1.058","","","","has coordinates","305875","2026-05-05","22:39:57",""
"7251959","9.2215","0.0001","13.5848","0.0002","17.1714","0.0003","93.406","0.001","95.074","0.001","105.887","0.001","2052.96","0.05","200","0.1","200","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C43 H30 Cd N2 O10 S -","- C43 H30 Cd N2 O10 S -","- C86 H60 Cd2 N4 O20 S2 -","2","1","","Zhang, Chen-Ran; Xiao, Ming; Ding, Qun-Shan; Li, Linke; Zhao, Xueli; Zang, Shuang-Quan","Multi-Stimuli Chromic Responses (Light/Electro/Amino-) in Zn/Cd-Extended Viologen Materials toward Information Encryption","CrystEngComm","2026","","","","","10.1039/D6CE00124F","","x-ray","1.54184","CuKα","","0.0413","0.0406","","","0.117","0.1176","","","","","","1.035","","","","has coordinates","305875","2026-05-05","22:39:57",""
"7251960","9.41","0.004","15.775","0.006","7.119","0.003","90","","110.139","0.013","90","","992.2","0.7","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C11 H12 N2 -","- C11 H12 N2 -","- C44 H48 N8 -","4","1","","Li, Hung-Li; Ho, Kung-Jui; Kuo, Pei-Chi; Sun, Ci-Yang; Chen, Hung-Chi; Lin, Ting-Jun; Hung, Yu-Lin; Chiang, Chien-Wei","Sustainable photoelectrochemical activation of acetonitrile via transient alkynylnitrile intermediates","Green Chemistry","2026","28","20","8604","8610","10.1039/D6GC01583B","","","0.71073","MoKα","","0.1156","0.0591","","","0.1329","0.1687","","","","","","1.024","","","","has coordinates","306447","2026-06-05","19:22:18",""
"7251961","10.34","0.0005","7.7127","0.0003","25.5169","0.001","90","","91.456","0.004","90","","2034.3","0.15","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H15 I4 N4 O Sb -","- C10 H15 I4 N4 O Sb -","- C40 H60 I16 N16 O4 Sb4 -","4","1","","Alibi, Amin; Elleuch, Nour; Shova, Sergiu; Amiard, Frédéric; Lhoste, Jerome; Boujelbene, Mohamed","Structural, optical, thermal, and computational insights into the 1D antimony-based hybrid perovskite (C10H13N4)[SbI4]·H2O","RSC Advances","2026","16","26","23335","23353","10.1039/D6RA02020H","","","0.71073","MoKα","","0.0787","0.0532","","","0.0767","0.0836","","","","","","1.135","","","","has coordinates","305879","2026-05-06","01:57:17",""
"7251962","8.835","0.0003","10.5064","0.0003","10.7201","0.0004","90.937","0.001","102.416","0.001","91.609","0.001","971.17","0.06","90","2","90.15","","","","","","","","","6","P -1","-P 1","2","","","","- C19 H21 Mn N2 O5 S -","- C19 H21 Mn N2 O5 S -","- C38 H42 Mn2 N4 O10 S2 -","2","1","","Kobayashi, Fumiya; Iwase, Hiroki; Hoshino, Shoma; Tadokoro, Makoto","Metal-ion-dependent polarity switching and dielectric enhancement in solvent-vapour-responsive mononuclear complexes","CrystEngComm","2026","","","","","10.1039/D5CE01141H","","","0.71073","MoKα","","0.0337","0.0321","","","0.0752","0.0761","","","","","","1.073","","","","has coordinates,has disorder","305890","2026-05-07","22:38:18",""
"7251963","15.3544","0.0005","17.1176","0.0005","7.9303","0.0002","90","","106.96","0.001","90","","1993.67","0.1","90","2","90.15","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C19 H21 Fe N2 O5 S -","- C19 H21 Fe N2 O5 S -","- C76 H84 Fe4 N8 O20 S4 -","4","1","","Kobayashi, Fumiya; Iwase, Hiroki; Hoshino, Shoma; Tadokoro, Makoto","Metal-ion-dependent polarity switching and dielectric enhancement in solvent-vapour-responsive mononuclear complexes","CrystEngComm","2026","","","","","10.1039/D5CE01141H","","","0.71073","MoKα","","0.0293","0.0289","","","0.0723","0.0726","","","","","","1.026","","","","has coordinates,has disorder","305890","2026-05-07","22:38:18",""
"7251964","12.401","0.001","16.4977","0.0013","8.6621","0.0007","90","","101.098","0.003","90","","1739","0.2","173","2","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 Fe N2 O5 -","- C18 H19 Fe N2 O5 -","- C72 H76 Fe4 N8 O20 -","4","1","","Kobayashi, Fumiya; Iwase, Hiroki; Hoshino, Shoma; Tadokoro, Makoto","Metal-ion-dependent polarity switching and dielectric enhancement in solvent-vapour-responsive mononuclear complexes","CrystEngComm","2026","","","","","10.1039/D5CE01141H","","","0.71073","MoKα","","0.0493","0.0433","","","0.1138","0.119","","","","","","1.058","","","","has coordinates","305890","2026-05-07","22:38:18",""
"7251965","12.5148","0.0005","16.7477","0.0007","8.7014","0.0003","90","","102.542","0.002","90","","1780.24","0.12","90","2","90.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 Mn N2 O5 -","- C18 H19 Mn N2 O5 -","- C72 H76 Mn4 N8 O20 -","4","1","","Kobayashi, Fumiya; Iwase, Hiroki; Hoshino, Shoma; Tadokoro, Makoto","Metal-ion-dependent polarity switching and dielectric enhancement in solvent-vapour-responsive mononuclear complexes","CrystEngComm","2026","","","","","10.1039/D5CE01141H","","","0.71073","MoKα","","0.0413","0.0363","","","0.0902","0.094","","","","","","1.065","","","","has coordinates,has disorder","305890","2026-05-07","22:38:18",""
"7251966","15.1673","0.0015","22.553","0.003","24.122","0.003","90","","90","","90","","8251.4","1.7","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C48 H27 B2 Cl N6 O8 S -","- C48 H27 B2 Cl N6 O8 S -","- C384 H216 B16 Cl8 N48 O64 S8 -","8","1","","He, Xinpeng; Li, Linkuo; Zhang, Qichun","Single-crystals of B ← N based covalent organic polymers with dual photosensitive motifs for photocatalytic dye degradation","CrystEngComm","2026","28","21","3293","3297","10.1039/D6CE00276E","","x-ray","1.54184","CuKα","","0.1912","0.0864","","","0.2076","0.2651","","","","","","1","","","","has coordinates","306376","2026-06-05","18:50:45",""
"7251967","5.6024","0.0003","7.3657","0.0006","113.521","0.007","90","","90","","90","","4684.5","0.5","296.99","","296.99","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C23 H46 O2 -","- C23 H46 O2 -","- C184 H368 O16 -","8","2","","Ravotti, Rebecca; Liu, Xiaojiao; Pulham, Colin R.; Stamatiou, Anastasia","The impact of polymorphism on the thermophysical properties of methyl behenate as a phase-change material","CrystEngComm","2026","","","","","10.1039/D6CE00065G","","x-ray","1.54184","CuKα","","0.2141","0.1499","","","0.4001","0.4707","","","","","","1.2962","","","","has coordinates","305901","2026-05-08","22:34:51",""
"7251968","57.3935","0.0016","7.2578","0.0003","5.5616","0.0002","90","","97.056","0.003","90","","2299.14","0.14","220.01","0.1","220.01","0.1","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C23 H46 O2 -","- C23 H46 O2 -","- C92 H184 O8 -","4","0.5","","Ravotti, Rebecca; Liu, Xiaojiao; Pulham, Colin R.; Stamatiou, Anastasia","The impact of polymorphism on the thermophysical properties of methyl behenate as a phase-change material","CrystEngComm","2026","","","","","10.1039/D6CE00065G","","x-ray","1.54184","CuKα","","0.0809","0.066","","","0.2181","0.2405","","","","","","1.092","","","","has coordinates,has disorder","305901","2026-05-08","22:34:51",""
"7251969","13.219","0.004","5.4793","0.0017","24.982","0.008","90","","99.975","0.014","90","","1782.1","1","273.15","","273.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 F3 N2 O2 S -","- C18 H17 F3 N2 O2 S -","- C72 H68 F12 N8 O8 S4 -","4","1","","Pan, Yang; Wang, Yin; Zhou, Xiwei; Liu, Tengxiaoxiao; Zhang, Xiaoke; Jiang, Tao","Synthesis of 2-(α-trifluoromethylamino)indoles via stepwise cascade transformation of imidoyl sulfoxonium ylides with ortho-chloromethyl anilines","RSC Advances","2026","16","27","24400","24405","10.1039/D6RA01734G","","","0.71073","MoKα","","0.1534","0.0686","","","0.1196","0.1548","","","","","","1.011","","","","has coordinates","305906","2026-05-09","01:43:58",""
"7251970","16.413","0.0011","22.3174","0.0014","3.9518","0.0002","90","","90","","90","","1447.53","0.15","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C18 H11 Cl N4 O -","- C18 H11 Cl N4 O -","- C72 H44 Cl4 N16 O4 -","4","1","","Vu, Thi Ngoc Anh; Polyanskaya, Nadezhda; Bozhenkova, Svetlana; Khrustalev, Viktor; Utenyshev, Andrey; Shetnev, Anton; Filenko, Igor; Huynh, Minh Chin; Nguyen, Anh Van; Kovalchukova, Olga","Synthesis, structure, and antimicrobial activity of a series of novel heterocyclic azo-colorants derived from α-dicarbonyl compounds","RSC Advances","2026","16","26","24128","24140","10.1039/D5RA10033J","","","1.54184","CuKα","","0.1027","0.0836","","","0.2017","0.2133","","","","","","1.033","","","","has coordinates","305907","2026-05-09","01:44:05",""
"7251971","20.2762","0.0005","5.30357","0.00013","16.5308","0.0004","90","","104.649","0.002","90","","1719.87","0.07","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H15 N3 O S -","- C23 H15 N3 O S -","- C92 H60 N12 O4 S4 -","4","1","","Vu, Thi Ngoc Anh; Polyanskaya, Nadezhda; Bozhenkova, Svetlana; Khrustalev, Viktor; Utenyshev, Andrey; Shetnev, Anton; Filenko, Igor; Huynh, Minh Chin; Nguyen, Anh Van; Kovalchukova, Olga","Synthesis, structure, and antimicrobial activity of a series of novel heterocyclic azo-colorants derived from α-dicarbonyl compounds","RSC Advances","2026","16","26","24128","24140","10.1039/D5RA10033J","","","1.54184","CuKα","","0.1056","0.102","","","0.2253","0.2271","","","","","","1.02","","","","has coordinates","305907","2026-05-09","01:44:05",""
"7251972","13.3559","0.0018","6.2127","0.0008","9.4897","0.0011","90","","106.536","0.012","90","","754.85","0.17","118","0.14","118","0.14","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C5 H6 N4 O4 -","- C5 H6 N4 O4 -","- C20 H24 N16 O16 -","4","1","","Yue, Jin; Lu, Zu-jia; Li, Cong; Yu, Qi-yao; Zhang, Jian-guo","Balancing energy and safety in a nitropyrazole-based melt-cast explosive carrier: 1,4-dimethyl-3,5-dinitropyrazole","CrystEngComm","2026","","","","","10.1039/D6CE00253F","","x-ray","0.71073","MoKα","","0.0861","0.0579","","","0.13","0.1498","","","","","","1.05","","","","has coordinates","305924","2026-05-11","22:37:06",""
"7251973","25.595","0.0013","17.0614","0.0008","20.0999","0.001","90","","124.932","0.002","90","","7196","0.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C72 H64 N22 O6 Zn3 -","- C72 H64 N22 O6 Zn3 -","- C288 H256 N88 O24 Zn12 -","4","0.5","","Jeaydi, Towhidi Illius; Chen, Wei-Yuan; Tedesco, Michael D.; Schrage, Briana R.; Nemykin, Victor N.; Ziegler, Christopher J.","Closing and coupling: metal linked biliazine dimers","RSC Advances","2026","16","27","24747","24751","10.1039/D6RA01668E","","","1.54178","CuKα","","0.104","0.0835","","","0.1847","0.1963","","","","","","1.073","","","","has coordinates","305930","2026-05-12","01:35:23",""
"7251974","29.964","0.004","11.8314","0.0015","16.308","0.002","90","","102.336","0.006","90","","5648","1.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H38 N20 O2 Zn3 -","- C50 H38 N20 O2 Zn3 -","- C200 H152 N80 O8 Zn12 -","4","0.5","","Jeaydi, Towhidi Illius; Chen, Wei-Yuan; Tedesco, Michael D.; Schrage, Briana R.; Nemykin, Victor N.; Ziegler, Christopher J.","Closing and coupling: metal linked biliazine dimers","RSC Advances","2026","16","27","24747","24751","10.1039/D6RA01668E","","","0.71073","MoKα","","0.0992","0.0748","","","0.1567","0.1651","","","","","","1.098","","","","has coordinates","305930","2026-05-12","01:35:23",""
"7251975","11.064","0.002","13.595","0.003","17.394","0.004","91.281","0.008","92.138","0.007","92.972","0.007","2610.2","1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C53 H47 N21 O4 Zn3 -","- C53 H47 N21 O4 Zn3 -","- C106 H94 N42 O8 Zn6 -","2","1","","Jeaydi, Towhidi Illius; Chen, Wei-Yuan; Tedesco, Michael D.; Schrage, Briana R.; Nemykin, Victor N.; Ziegler, Christopher J.","Closing and coupling: metal linked biliazine dimers","RSC Advances","2026","16","27","24747","24751","10.1039/D6RA01668E","","","0.71073","MoKα","","0.0506","0.0387","","","0.0982","0.1078","","","","","","1.029","","","","has coordinates","305930","2026-05-12","01:35:23",""
"7251976","12.2804","0.0006","7.1009","0.0003","14.674","0.0007","90","","100.005","0.001","90","","1260.14","0.1","299","2","299","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H6 Cl N3 O3 S2 -","- C10 H6 Cl N3 O3 S2 -","- C40 H24 Cl4 N12 O12 S8 -","4","1","","Roy, Sayanta; Mandal, Bhubaneswar","New benzotriazole–sulfonate coupling reagents and applications","RSC Advances","2026","16","27","24659","24666","10.1039/D6RA03443H","","","0.71073","MoKα","","0.0303","0.0272","","","0.0698","0.0744","","","","","","1.073","","","","has coordinates","305931","2026-05-12","01:35:34",""
"7251977","4.348","0.003","11.715","0.007","27.266","0.016","90","","93.875","0.016","90","","1385.7","1.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 N O5 -","- C15 H13 N O5 -","- C60 H52 N4 O20 -","4","1","","Roy, Sayanta; Mandal, Bhubaneswar","New benzotriazole–sulfonate coupling reagents and applications","RSC Advances","2026","16","27","24659","24666","10.1039/D6RA03443H","","","0.71073","MoKα","","0.1295","0.1015","","","0.2058","0.2578","","","","","","1.244","","","","has coordinates","305931","2026-05-12","01:35:34",""
"7251978","10.4924","0.0004","13.0953","0.0005","14.8416","0.0005","67.211","0.002","86.293","0.002","76.38","0.002","1826.39","0.12","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C23 H18 N2 O2 -","- C23 H18 N2 O2 -","- C92 H72 N8 O8 -","4","2","","Fan, Zhi-Bo; Hou, Jia-Wang; Tong, Fei","Polymorphism-Dependent Mechanochromic Luminescence in a Donor-Acceptor Compound","CrystEngComm","2026","","","","","10.1039/D6CE00258G","","x-ray","1.54178","CuKα","","0.0419","0.0357","","","0.0918","0.0963","","","","","","1.039","","","","has coordinates","305941","2026-05-12","22:38:02",""
"7251979","16.3037","0.0017","15.1986","0.0014","15.9823","0.0014","90","","104.801","0.005","90","","3828.9","0.6","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H18 N2 O2 -","- C23 H18 N2 O2 -","- C184 H144 N16 O16 -","8","2","","Fan, Zhi-Bo; Hou, Jia-Wang; Tong, Fei","Polymorphism-Dependent Mechanochromic Luminescence in a Donor-Acceptor Compound","CrystEngComm","2026","","","","","10.1039/D6CE00258G","","x-ray","1.54178","CuKα","","0.0498","0.0416","","","0.1172","0.1238","","","","","","1.056","","","","has coordinates","305941","2026-05-12","22:38:02",""
"7251980","5.90879","0.00004","10.20119","0.00008","21.8526","0.0002","90","","90","","90","","1317.2","0.018","150","0.1","150","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H11 F N4 -","- C17 H11 F N4 -","- C68 H44 F4 N16 -","4","1","","Aleksienė, Vaida; Řezníčková, Eva; Bieliauskas, Aurimas; Vojáčková, Veronika; Molitorová, Veronika; Šalvytė-Nikliauzienė, Austėja; Belyakov, Sergey; Žukauskaitė, Asta; Arbačiauskienė, Eglė; Kryštof, Vladimír; Šačkus, Algirdas","Synthesis and antimitotic activity of 2-phenyl-6-pyridinyl-2H-pyrazolo[4,3-c]pyridines","RSC Advances","2026","16","27","24822","24837","10.1039/D5RA09208F","","x-ray","1.54184","CuKα","","0.0291","0.0284","","","0.0762","0.0767","","","","","","1.074","","","","has coordinates","305952","2026-05-13","01:37:10",""
"7251981","11.7276","0.0003","9.8806","0.0002","18.3798","0.0004","90","","101.355","0.002","90","","2088.08","0.08","100","0.2","100","0.2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H20 Cl4 N2 O2 Zn -","- C18 H20 Cl4 N2 O2 Zn -","- C72 H80 Cl16 N8 O8 Zn4 -","4","0.5","","Khlifi, Houyem; Alghamdi, Mashael A.; Tababi, Intissar; Edziri, Hayet; Melliti, Marwa; Guesmi, Ahlem; Nasrallah, Hossam H.; Mhadhbi, Noureddine; Ben Hamadi, Naoufel; Naïli, Houcine","Integrated structural, vibrational, thermal, and optical characterization of a zinc-based organic–inorganic hybrid with DFT and molecular docking insights into its biological properties","RSC Advances","2026","16","27","24964","24985","10.1039/D6RA03131E","","x-ray","0.71073","MoKα","","0.0251","0.0207","","","0.0492","0.0508","","","","","","1.054","","","","has coordinates","305953","2026-05-13","01:37:21",""
"7251982","17.596","0.0004","28.4487","0.0007","24.7684","0.0006","90","","90","","90","","12398.6","0.5","100","2","100.15","","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C16 H12 Cl10 N8 O4 Sb2 -","- C16 H12 Cl10 N8 O4 Sb2 -","- C256 H192 Cl160 N128 O64 Sb32 -","16","1","","Elleuch, Nour; Lhoste, Jerome; Amiard, Frédéric; Shova, Sergiu; Boujelbene, Mohamed; Sellami, Sameh","Unveiling the supramolecular assembly of a novel antimony(iii)-based co-crystal: integrating multi-spectroscopic analyses, DFT calculations, and advanced biological evaluations","RSC Advances","2026","16","28","25251","25268","10.1039/D6RA01859A","","","0.71073","MoKα","","0.032","0.0289","","","0.0746","0.0768","","","","","","1.04","","","","has coordinates","305962","2026-05-14","02:34:38",""
"7251983","9.8256","0.0007","17.7127","0.0012","18.3028","0.0012","90","","90","","90","","3185.4","0.4","296.15","","296.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C38 H32 N2 O9 -","- C38 H32 N2 O9 -","- C152 H128 N8 O36 -","4","1","","Liu, Lanxiang; Tao, Yunfeng; Chu, Menghan; Zhou, Xiaojian; Du, Guanben; Zhou, Bei; Lin, Jun","Photocatalytic prins-like indole addition of tryptophol C2 with aldehydes and ketones","RSC Advances","2026","16","27","24870","24877","10.1039/D5RA09558A","","","0.71073","MoKα","","0.0882","0.0525","","","0.1322","0.1505","","","","","","1.039","","","","has coordinates","305963","2026-05-14","02:34:53",""
"7251984","15.269","0.005","10.765","0.003","16.567","0.005","90","","90","","90","","2723.1","1.4","296.15","","296.15","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C17 H15 N O2 -","- C17 H15 N O2 -","- C136 H120 N8 O16 -","8","2","","Liu, Lanxiang; Tao, Yunfeng; Chu, Menghan; Zhou, Xiaojian; Du, Guanben; Zhou, Bei; Lin, Jun","Photocatalytic prins-like indole addition of tryptophol C2 with aldehydes and ketones","RSC Advances","2026","16","27","24870","24877","10.1039/D5RA09558A","","","0.71073","MoKα","","0.1476","0.0732","","","0.1584","0.1984","","","","","","1.102","","","","has coordinates","305963","2026-05-14","02:34:53",""
"7251985","13.619","0.002","15.295","0.003","17.404","0.002","69.224","0.006","69.711","0.006","83.327","0.007","3179.2","0.9","170","","170","","","","","","","","","6","P -1","-P 1","2","","","","- C29 H0.5 Cl4 F12 N48 O18.2 -","- C29 H40.299 Cl4 F12 N48 O18.181 -","- C58 H80.598 Cl8 F24 N96 O36.362 -","2","1","","Yu, Jiyuan; Miao, Xiangyan; Li, Yuchuan","Strategic modular assembly of trifluoromethylated energetic materials via triazine-based scaffolds","RSC Advances","2026","16","27","25208","25215","10.1039/D6RA01290F","","","0.71073","MoKα","","0.2279","0.1239","","","0.3204","0.4081","","","","","","1.266","","","","has coordinates,has disorder","305964","2026-05-14","02:35:07",""
"7251986","8.1025","0.001","8.1837","0.0011","14.7785","0.0016","93.339","0.005","97.166","0.005","99.686","0.006","955.3","0.2","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C7 H18 F3 N13 O8 -","- C7 H18 F3 N13 O8 -","- C14 H36 F6 N26 O16 -","2","1","","Yu, Jiyuan; Miao, Xiangyan; Li, Yuchuan","Strategic modular assembly of trifluoromethylated energetic materials via triazine-based scaffolds","RSC Advances","2026","16","27","25208","25215","10.1039/D6RA01290F","","","0.71073","MoKα","","0.1044","0.0689","","","0.1441","0.1651","","","","","","1.08","","","","has coordinates","305964","2026-05-14","02:35:07",""
"7251987","13.0073","0.0002","8.0388","0.0002","15.1149","0.0004","90","","95.669","0.002","90","","1572.73","0.06","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C3 H18 Cl6 N3 Sb -","- C3 H18 Cl6 N3 Sb -","- C12 H72 Cl24 N12 Sb4 -","4","1","","Chakchouk, N.; Khachroum, H.; Ben Yazeed, M. A.; Awhida, A. A.; Abdelbaky, M. S. M.; Granda, S. García; Ben Rhaiem, A.","Investigation of the structural, optical, and electrical properties of the (CH3NH3)3(SbCl5)·Cl compound","RSC Advances","2026","16","28","25423","25438","10.1039/D6RA00964F","","x-ray","0.71073","MoKα","","0.0457","0.032","","","0.057","0.0614","","","","","","1.071","","","","has coordinates","305968","2026-05-15","01:45:11",""
"7251988","10.142","0.002","11.581","0.003","13.244","0.003","84.565","0.015","76.115","0.011","77.104","0.015","1470.6","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H20 N10 O9 Zn -","- C30 H20 N10 O9 Zn -","- C60 H40 N20 O18 Zn2 -","2","1","","Guo, Yanqing; Li, Haitao; Liu, Lu; Li, Rong","pH-Regulated structural evolution enables excitation-dependent tunable and quasi-white-light emission in tetrazole-based d10 coordination polymers","CrystEngComm","2026","","","","","10.1039/D6CE00111D","","","0.71073","MoKα","","0.0737","0.0578","","","0.1554","0.1826","","","","","","1.022","","","","has coordinates","305973","2026-05-15","22:37:38",""
"7251989","6.536","0.003","8.817","0.004","13.687","0.007","93.64","0.006","97.775","0.004","98.916","0.008","769.2","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H11 Cd0.5 N5 O5 -","- C14 H11 Cd0.5 N5 O5 -","- C28 H22 Cd N10 O10 -","2","1","","Guo, Yanqing; Li, Haitao; Liu, Lu; Li, Rong","pH-Regulated structural evolution enables excitation-dependent tunable and quasi-white-light emission in tetrazole-based d10 coordination polymers","CrystEngComm","2026","","","","","10.1039/D6CE00111D","","","0.71073","MoKα","","0.0286","0.0275","","","0.0686","0.0695","","","","","","1.093","","","","has coordinates","305973","2026-05-15","22:37:38",""
"7251990","31.1727","0.001","6.8735","0.0003","19.5674","0.0007","90","","104.442","0.003","90","","4060.1","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H14 Cd N6 O5 -","- C21 H14 Cd N6 O5 -","- C168 H112 Cd8 N48 O40 -","8","1","","Guo, Yanqing; Li, Haitao; Liu, Lu; Li, Rong","pH-Regulated structural evolution enables excitation-dependent tunable and quasi-white-light emission in tetrazole-based d10 coordination polymers","CrystEngComm","2026","","","","","10.1039/D6CE00111D","","","0.71073","MoKα","","0.0228","0.0197","","","0.0524","0.0534","","","","","","1.053","","","","has coordinates","305973","2026-05-15","22:37:38",""
"7251991","7.695","0.0005","9.4983","0.0006","16.4693","0.001","85.619","0.002","81.82","0.003","78.628","0.003","1166.64","0.13","170","2","170","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H18 N4 O9 Ti -","- C26 H18 N4 O9 Ti -","- C52 H36 N8 O18 Ti2 -","2","1","","Xiang, Zeng-Ni; Zhao, Jin-Ping; Xian, Zhong-Mei; Wang, Zhonghua; Xu, Mei-Yu; Liang, Guang-Ming","Syntheses, Crystal Structure, and Photochromic Properties of a New Stable Ti (Ⅳ) Complex","CrystEngComm","2026","","","","","10.1039/D6CE00138F","","","1.34139","GaKα","","0.0729","0.06","","","0.1658","0.1801","","","","","","1.08","","","","has coordinates","305974","2026-05-15","22:37:50",""
"7251992","15.326","0.0011","17.6692","0.0013","16.9898","0.0011","90","","114.715","0.002","90","","4179.4","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H72 Br4 P2 Zn -","- C32 H72 Br4 P2 Zn -","- C128 H288 Br16 P8 Zn4 -","4","1","","Ezzedine, Molka; Ben Gzaiel, Malika; Tliha, Mohamed; López-Lago, E.; Rekik, Walid; Ben Ahmed, Ali; Oueslati, Abderrazek","New organic–inorganic bromide (P(C4H9)4)2[ZnBr4]: crystal structure, vibrational properties, and electrical conduction behavior from impedance studies","RSC Advances","2026","16","28","25732","25746","10.1039/D6RA00849F","","x-ray","0.71073","MoKα","","0.0316","0.0271","","","0.0653","0.0678","","","","","","1.038","","","","has coordinates","305978","2026-05-16","01:40:22",""
"7251993","7.4362","0.0008","13.84","0.003","16.31","0.005","65.85","0.02","89.3","0.015","75.229","0.012","1473","0.6","77","","77","","","","","","","","","6","P -1","-P 1","2","Pigment Red 5","(Z)-N-(5-chloro-2,4-dimethoxyphenyl)-4- (2-(5-(N,N-diethylsulfamoyl)-2-methoxyphenyl)hydrazineylidene)-3-oxo-3,4- dihydronaphthalene-2-carboxamide","","- C30 H31 Cl N4 O7 S -","- C30 H31 Cl N4 O7 S -","- C60 H62 Cl2 N8 O14 S2 -","2","1","","Reibeling, Sylvia; Gorelik, Tatiana E.; Haussühl, Eiken; Liebisch, Nick; Piepenbring, Martin U.","Electron diffraction and crystal engineering of Pigment Red 5, C30H31ClN4O7S","CrystEngComm","2026","","","","","10.1039/D6CE00140H","","electron","0.0251","electron","","0.2115","0.1763","","","0.1849","0.1881","","","","7.1229","7.1229","5.7175","","","","has coordinates","305986","2026-05-18","22:37:28",""
"7251994","7.4867","0.0005","13.8141","0.0011","16.0732","0.0015","113.141","0.008","91.234","0.006","105.433","0.006","1458.5","0.2","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","Solid solution of Pigment Red 5 (71 %) and a noncommercial isomer of it (29 %)","","- C30 H31 Cl N4 O7 S -","- C30 H31 Cl N4 O7 S -","- C60 H62 Cl2 N8 O14 S2 -","2","1","","Reibeling, Sylvia; Gorelik, Tatiana E.; Haussühl, Eiken; Liebisch, Nick; Piepenbring, Martin U.","Electron diffraction and crystal engineering of Pigment Red 5, C30H31ClN4O7S","CrystEngComm","2026","","","","","10.1039/D6CE00140H","","x-ray","0.71073","MoKα","","0.1476","0.1158","","","0.3196","0.3402","","","","","","1.086","","","","has coordinates,has disorder","305986","2026-05-18","22:37:28",""
"7251995","7.3396","0.0012","13.796","0.003","16.072","0.003","66.499","0.018","89.409","0.016","75.241","0.015","1435.5","0.5","77","","77","","","","","","","","","6","P -1","-P 1","2","Pigment Red 5","(Z)-N-(5-chloro-2,4-dimethoxyphenyl)-4- (2-(5-(N,N-diethylsulfamoyl)-2-methoxyphenyl)hydrazineylidene)-3-oxo-3,4- dihydronaphthalene-2-carboxamide","","- C30 H31 Cl N4 O7 S -","- C30 H31 Cl N4 O7 S -","- C60 H62 Cl2 N8 O14 S2 -","2","1","","Reibeling, Sylvia; Gorelik, Tatiana E.; Haussühl, Eiken; Liebisch, Nick; Piepenbring, Martin U.","Electron diffraction and crystal engineering of Pigment Red 5, C30H31ClN4O7S","CrystEngComm","2026","","","","","10.1039/D6CE00140H","","","0.0251","electron","","0.3635","0.2244","","","0.4288","0.4706","","","","","","0.9227","","","","has coordinates","305986","2026-05-18","22:37:28",""
"7251996","7.4362","0.0008","13.84","0.003","16.31","0.005","65.85","0.02","89.3","0.015","75.229","0.012","1473","0.6","70","","70","","","","","","","","","6","P -1","-P 1","2","Pigment Red 5","(Z)-N-(5-chloro-2,4-dimethoxyphenyl)-4- (2-(5-(N,N-diethylsulfamoyl)-2-methoxyphenyl)hydrazineylidene)-3-oxo-3,4- dihydronaphthalene-2-carboxamide","","- C30 H31 Cl N4 O7 S -","- C30 H31 Cl N4 O7 S -","- C60 H62 Cl2 N8 O14 S2 -","2","1","","Reibeling, Sylvia; Gorelik, Tatiana E.; Haussühl, Eiken; Liebisch, Nick; Piepenbring, Martin U.","Electron diffraction and crystal engineering of Pigment Red 5, C30H31ClN4O7S","CrystEngComm","2026","","","","","10.1039/D6CE00140H","","","0.0251","electron","","0.3278","0.3095","","","0.6271","0.6432","","","","","","2.408","","","","has coordinates","305986","2026-05-18","22:37:28",""
"7251997","7.4665","0.0006","13.806","0.0012","16.2268","0.0013","113.291","0.008","91.094","0.007","105.492","0.007","1465.8","0.2","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H31 Cl N4 O7 S -","- C30 H31 Cl N4 O7 S -","- C60 H62 Cl2 N8 O14 S2 -","2","1","","Reibeling, Sylvia; Gorelik, Tatiana E.; Haussühl, Eiken; Liebisch, Nick; Piepenbring, Martin U.","Electron diffraction and crystal engineering of Pigment Red 5, C30H31ClN4O7S","CrystEngComm","2026","","","","","10.1039/D6CE00140H","","","0.71073","MoKα","","0.2175","0.0752","","","0.1182","0.164","","","","","","0.951","","","","has coordinates","305986","2026-05-18","22:37:28",""
"7251998","13.474","0.004","13.727","0.004","12.998","0.005","90","","109.823","0.012","90","","2261.6","1.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H15 Cl3 F2 N2 O -","- C25 H15 Cl3 F2 N2 O -","- C100 H60 Cl12 F8 N8 O4 -","4","1","","Ittamalla, Chaitanya; Mukundram, N. S. S.; Nagireddy, Jyothirmai; Sridhar, B.; Reddy, B. V. Subba","Rh(iii)-catalyzed oxidative C–H annulation of 6-arylpyridazin-3(2H)-ones: direct access to diarylpyridazino[6,1-a]isoquinolin-5-ium-3-olates","RSC Advances","2026","16","28","26078","26082","10.1039/D6RA01670G","","","0.71073","MoKα","","0.0579","0.0453","","","0.1173","0.1302","","","","","","1.023","","","","has coordinates,has disorder","305989","2026-05-19","01:36:39",""
"7251999","9.1194","0.0017","16.274","0.004","12.513","0.003","90","","101.163","0.007","90","","1821.9","0.7","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H15.71 F N2 O1.35 -","- C24 H15.708 F N2 O1.354 -","- C96 H62.832 F4 N8 O5.416 -","4","1","","Ittamalla, Chaitanya; Mukundram, N. S. S.; Nagireddy, Jyothirmai; Sridhar, B.; Reddy, B. V. Subba","Rh(iii)-catalyzed oxidative C–H annulation of 6-arylpyridazin-3(2H)-ones: direct access to diarylpyridazino[6,1-a]isoquinolin-5-ium-3-olates","RSC Advances","2026","16","28","26078","26082","10.1039/D6RA01670G","","","0.71073","MoKα","","0.0433","0.0366","","","0.0987","0.1047","","","","","","1.031","","","","has coordinates,has disorder","305989","2026-05-19","01:36:39",""
"7252000","13.6258","0.0017","14.1135","0.0016","12.9741","0.0017","90","","109.818","0.004","90","","2347.3","0.5","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H16 Cl4 N2 O -","- C25 H16 Cl4 N2 O -","- C100 H64 Cl16 N8 O4 -","4","1","","Ittamalla, Chaitanya; Mukundram, N. S. S.; Nagireddy, Jyothirmai; Sridhar, B.; Reddy, B. V. Subba","Rh(iii)-catalyzed oxidative C–H annulation of 6-arylpyridazin-3(2H)-ones: direct access to diarylpyridazino[6,1-a]isoquinolin-5-ium-3-olates","RSC Advances","2026","16","28","26078","26082","10.1039/D6RA01670G","","","0.71073","MoKα","","0.1027","0.0705","","","0.22","0.2471","","","","","","1.049","","","","has coordinates,has disorder","305989","2026-05-19","01:36:39",""
"7252001","9.3947","0.0004","13.1348","0.0006","20.8649","0.0011","90","","96.586","0.004","90","","2557.7","0.2","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H27 N3 O2 -","- C34 H27 N3 O2 -","- C136 H108 N12 O8 -","4","1","","Prusty, Kamalika; Ambadipudi, S. S. S. S. Sudha; Mohapatra, Suhasini; Behera, Tankadhara; Panda, Bhabani Shankar; Panigrahi, Gopinatha; Nayak, Sabita; Mohapatra, Seetaram; Mohanty, Akankhya; Rout, Jyotiprabha; Sahoo, Chita Ranjan; Nayak, V. Lakhsma","Design, synthesis, and biological evaluation of multifunctional dispiro chromeno-indenoquinoxaline hybrids as dual anticancer and antibacterial agents with metal-ion sensing ability","RSC Advances","2026","16","29","26805","26831","10.1039/D6RA01808D","","x-ray","0.71073","MoKα","","0.0572","0.0424","","","0.0999","0.1066","","","","","","1.065","","","","has coordinates","306004","2026-05-20","01:31:42",""
"7252002","11.8851","0.00017","7.94529","0.00011","21.6352","0.0003","90","","93.4735","0.0013","90","","2039.27","0.05","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H44 Co3 N6 O28 -","- C24 H44 Co3 N6 O28 -","- C48 H88 Co6 N12 O56 -","2","0.5","","Kukreja, Manish; Shaheen, Saman; Ahmad, Tokeer; Ahmad, Musheer; Lee, Nohyun; ASTAKALA, ANIL KUMAR; Haq, Nazrul; Saleh, Na'il; Siddiqui, Kafeel Ahmad","Layered sql-Type Cobalt Triazine–Carboxylate MOF for Enhanced Pseudocapacitance and Visible-Light Hydrogen Evolution","CrystEngComm","2026","","","","","10.1039/D6CE00222F","","x-ray","0.71073","MoKα","","0.0469","0.0416","","","0.128","0.1334","","","","","","1.0481","","","","has coordinates","306050","2026-05-20","22:34:38",""
"7252003","6.7762","0.0003","13.2851","0.0006","14.2804","0.0006","90","","90","","90","","1285.56","0.1","299.15","0.1","299.15","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H14 N4 Ni O8 -","- C8 H14 N4 Ni O8 -","- C32 H56 N16 Ni4 O32 -","4","0.5","","Takeshi, Shin-ichiro; Lyu, Liangcheng; Hase, Akane; Haga, Nagito; Takano, Rina; Ishida, Takayuki; Kogane, Tamizo","Two-and three-dimensional nickel(II) and copper(II) metal-organic frameworks based on 1H-pyrazole-4-carboxylate","CrystEngComm","2026","","","","","10.1039/D6CE00199H","","x-ray","0.71073","MoKα","","0.0403","0.0289","","","0.0752","0.0828","","","","","","1.063","","","","has coordinates","306051","2026-05-20","22:35:04",""
"7252004","8.1167","0.0004","8.6703","0.0004","12.4564","0.0005","90","","100.009","0.004","90","","863.27","0.07","295.2","0.3","295.2","0.3","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","compound 3","[Ni(4-Hpzca-N)2(4-Hpzca-O?)2(Hpz)2]n","","- C14 H14 N8 Ni O4 -","- C14 H14 N8 Ni O4 -","- C28 H28 N16 Ni2 O8 -","2","0.5","","Takeshi, Shin-ichiro; Lyu, Liangcheng; Hase, Akane; Haga, Nagito; Takano, Rina; Ishida, Takayuki; Kogane, Tamizo","Two-and three-dimensional nickel(II) and copper(II) metal-organic frameworks based on 1H-pyrazole-4-carboxylate","CrystEngComm","2026","","","","","10.1039/D6CE00199H","","x-ray","0.71073","MoKα","","0.0467","0.0335","","","0.0818","0.087","","","","","","1.029","","","","has coordinates","306051","2026-05-20","22:35:04",""
"7252005","13.9954","0.0006","10.9431","0.0004","15.1529","0.0007","90","","110.706","0.005","90","","2170.81","0.17","298.8","0.14","298.8","0.14","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","[Cu(pzca)2(Hpz)2]n","","- C14 H14 Cu N8 O4 -","- C14 H14 Cu N8 O4 -","- C56 H56 Cu4 N32 O16 -","4","0.5","","Takeshi, Shin-ichiro; Lyu, Liangcheng; Hase, Akane; Haga, Nagito; Takano, Rina; Ishida, Takayuki; Kogane, Tamizo","Two-and three-dimensional nickel(II) and copper(II) metal-organic frameworks based on 1H-pyrazole-4-carboxylate","CrystEngComm","2026","","","","","10.1039/D6CE00199H","","x-ray","0.71073","MoKα","","0.0478","0.0408","","","0.1277","0.1319","","","","","","1.086","","","","has coordinates","306051","2026-05-20","22:35:04",""
"7252006","12.624","0.0006","7.3667","0.0003","13.8231","0.0006","90","","103.215","0.004","90","","1251.47","0.1","299.8","0.3","299.8","0.3","","","","","","","","5","C 1 2/c 1","-C 2yc","15","compound 2","cis-[Ni(4-Hpzca-N)2(H2O)4]","","- C8 H14 N4 Ni O8 -","- C8 H14 N4 Ni O8 -","- C32 H56 N16 Ni4 O32 -","4","0.5","","Takeshi, Shin-ichiro; Lyu, Liangcheng; Hase, Akane; Haga, Nagito; Takano, Rina; Ishida, Takayuki; Kogane, Tamizo","Two-and three-dimensional nickel(II) and copper(II) metal-organic frameworks based on 1H-pyrazole-4-carboxylate","CrystEngComm","2026","","","","","10.1039/D6CE00199H","","x-ray","0.71073","MoKα","","0.0364","0.0332","","","0.0921","0.0944","","","","","","1.094","","","","has coordinates","306051","2026-05-20","22:35:04",""
"7252007","13.3874","0.0006","5.1261","0.0002","16.4555","0.0007","90","","113.109","0.005","90","","1038.65","0.09","300","0.5","300","0.5","","","","","","","","5","P 1 2/n 1","-P 2yac","13","Cupper(II) 1H-pyrazole-4-carboxylate","3D-[Cu(pzca)2]n","","- C8 H6 Cu N4 O4 -","- C8 H6 Cu N4 O4 -","- C32 H24 Cu4 N16 O16 -","4","1","","Takeshi, Shin-ichiro; Lyu, Liangcheng; Hase, Akane; Haga, Nagito; Takano, Rina; Ishida, Takayuki; Kogane, Tamizo","Two-and three-dimensional nickel(II) and copper(II) metal-organic frameworks based on 1H-pyrazole-4-carboxylate","CrystEngComm","2026","","","","","10.1039/D6CE00199H","","x-ray","0.71073","MoKα","","0.0393","0.0315","","","0.0862","0.0901","","","","","","1.071","","","","has coordinates","306051","2026-05-20","22:35:04",""
"7252008","9.4152","0.0005","11.1869","0.0006","13.2359","0.0007","80.211","0.004","89.105","0.004","77.04","0.004","1338.44","0.13","295","","295","","","","","","","","","4","P -1","-P 1","2","","","","- C31 H24 N3 O7 -","- C31 H24 N3 O7 -","- C62 H48 N6 O14 -","2","1","","Liu, Yu; Lei, Jian; Li, Ting; Zhong, Aiyu; Zhu, Zihan; Lu, Junxiao; Wang, Zhipeng; Zhao, Panpan; Wu, Zhigang","The cocrystals of isorhamnetin and isoliquiritigenin with 4,4′-bipyridine: system characterization, stability, dissolution and anticancer activity","RSC Advances","2026","16","30","27212","27222","10.1039/D6RA01981A","","","1.54178","CuKα","","0.0895","0.059","","","0.157","0.1788","","","","","","1.022","","","","has coordinates","306054","2026-05-21","01:26:26",""
"7252009","16.9971","0.0003","9.4839","0.0002","12.8861","0.0002","90","","97.231","0.001","90","","2060.7","0.07","295","","295","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Isoliquiritigenin-4,4'-Bipyridine","","- C25 H20 N2 O4 -","- C25 H20 N2 O4 -","- C100 H80 N8 O16 -","4","1","","Liu, Yu; Lei, Jian; Li, Ting; Zhong, Aiyu; Zhu, Zihan; Lu, Junxiao; Wang, Zhipeng; Zhao, Panpan; Wu, Zhigang","The cocrystals of isorhamnetin and isoliquiritigenin with 4,4′-bipyridine: system characterization, stability, dissolution and anticancer activity","RSC Advances","2026","16","30","27212","27222","10.1039/D6RA01981A","","","1.54178","CuKα","","0.0724","0.0574","","","0.1556","0.172","","","","","","1.033","","","","has coordinates","306054","2026-05-21","01:26:26",""
"7252010","17.4745","0.0005","4.70452","0.00012","20.9252","0.0007","90","","105.964","0.004","90","","1653.9","0.09","300.15","","300.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 N3 O2 S -","- C19 H15 N3 O2 S -","- C76 H60 N12 O8 S4 -","4","1","","Samanta, Barsha; Pati, Tapaswini; Dash, Ananya; Panda, Bhabani Shankar; Naik, Eeshara; Mohapatra, Seetaram; Sahoo, Chita Ranjan; Naik, Pradeep Kumar","Multicomponent synthesis of 2H-chromene-fused-thiazolo-triazole derivatives via cascade Michael addition/cyclization reaction: anticancer, antibacterial and computational evaluations","RSC Advances","2026","16","30","27374","27396","10.1039/D6RA03687B","","","1.54184","CuKα","","0.0486","0.044","","","0.1169","0.123","","","","","","1.147","","","","has coordinates","306062","2026-05-22","01:24:49",""
"7252011","7.24645","0.00011","13.4311","0.0003","16.0816","0.0003","112.848","0.002","93.6158","0.0014","93.6201","0.0015","1432.96","0.05","302.89","0.1","302.89","0.1","","","","","","","","4","P 1","P 1","1","","","","- C64 H108 N2 O7 -","- C64 H108 N2 O7 -","- C64 H108 N2 O7 -","1","1","","Luo, Junyan; Xie, Yifei; Feng, Ying; Zhang, Baoxi; Gong, Ningbo; Lv, Yang","Crystal Engineering Improve the Dissolution Behavior of Oleanolic Acid","CrystEngComm","2026","","","","","10.1039/D6CE00322B","","x-ray","1.54184","CuKα","","0.0653","0.0636","","","0.1947","0.1964","","","","","","1.08","","","","has coordinates","306071","2026-05-22","22:34:50",""
"7252012","7.2435","0.0001","16.4567","0.0002","25.0512","0.0003","103.934","0.001","97.299","0.001","90.09","0.001","2873.24","0.06","100.01","0.13","100.01","0.13","","","","","","","","4","P 1","P 1","1","","","","- C128 H214 N2 O14 -","- C128 H214 N2 O14 -","- C128 H214 N2 O14 -","1","1","","Luo, Junyan; Xie, Yifei; Feng, Ying; Zhang, Baoxi; Gong, Ningbo; Lv, Yang","Crystal Engineering Improve the Dissolution Behavior of Oleanolic Acid","CrystEngComm","2026","","","","","10.1039/D6CE00322B","","x-ray","1.54184","CuKα","","0.0781","0.0714","","","0.1942","0.1989","","","","","","1.031","","","","has coordinates","306071","2026-05-22","22:34:50",""
"7252013","6.7572","0.0005","7.7852","0.0003","20.6357","0.0012","90","","97.65","0.006","90","","1075.9","0.11","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H12 N2 S -","- C11 H12 N2 S -","- C44 H48 N8 S4 -","4","1","","Arman, Amin; Nowrouzi, Najmeh; Abbasi, Mohammad; Janczak, Jan","Visible-light photocatalytic synthesis of imidazole-2-thiones in water using cobalt phthalocyanine","RSC Advances","2026","16","30","27878","27883","10.1039/D6RA03480B","","","0.71073","MoKα","","0.1021","0.0505","","","0.1022","0.1291","","","","","","1.003","","","","has coordinates","306076","2026-05-23","01:23:43",""
"7252014","9.4298","0.0005","10.8957","0.0006","11.9941","0.0008","85.71","0.005","75.669","0.005","86.699","0.004","1189.66","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H26 N6 O11 V2 -","- C17 H26 N6 O11 V2 -","- C34 H52 N12 O22 V4 -","2","1","","Dragancea, Diana; Talmaci, Natalia; Shova, Sergiu; Hanganu, Anamaria; Grabowsky, Simon; Decurtins, Silvio; Liu, Shi-Xia; Baca, Svetlana G.","Oxidovanadium(v) coordination compounds based on 1,5-bis(2-hydroxy-3-methoxybenzylidene)carbohydrazide: from discrete to polymeric assemblies","RSC Advances","2026","16","30","27906","27914","10.1039/D6RA02540D","","x-ray","0.71073","MoKα","","0.0532","0.0377","","","0.098","0.1042","","","","","","1.095","","","","has coordinates","306077","2026-05-23","01:24:02",""
"7252015","16.247","0.0002","16.4323","0.0002","19.9683","0.0002","90","","111.623","0.001","90","","4955.9","0.1","199.9","0.4","199.9","0.4","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H17.5 Cs2 N4 O11 V2 -","- C17 H17.5 Cs2 N4 O11 V2 -","- C136 H140 Cs16 N32 O88 V16 -","8","1","","Dragancea, Diana; Talmaci, Natalia; Shova, Sergiu; Hanganu, Anamaria; Grabowsky, Simon; Decurtins, Silvio; Liu, Shi-Xia; Baca, Svetlana G.","Oxidovanadium(v) coordination compounds based on 1,5-bis(2-hydroxy-3-methoxybenzylidene)carbohydrazide: from discrete to polymeric assemblies","RSC Advances","2026","16","30","27906","27914","10.1039/D6RA02540D","","x-ray","1.54184","CuKα","","0.0339","0.0332","","","0.0905","0.0913","","","","","","1.03","","","","has coordinates,has disorder","306077","2026-05-23","01:24:02",""
"7252016","12.607","0.0003","18.2159","0.0004","10.6813","0.0003","90","","93.299","0.002","90","","2448.87","0.11","100","2","100.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H52 N8 O20 V4 -","- C42 H52 N8 O20 V4 -","- C84 H104 N16 O40 V8 -","2","0.5","","Dragancea, Diana; Talmaci, Natalia; Shova, Sergiu; Hanganu, Anamaria; Grabowsky, Simon; Decurtins, Silvio; Liu, Shi-Xia; Baca, Svetlana G.","Oxidovanadium(v) coordination compounds based on 1,5-bis(2-hydroxy-3-methoxybenzylidene)carbohydrazide: from discrete to polymeric assemblies","RSC Advances","2026","16","30","27906","27914","10.1039/D6RA02540D","","","0.71073","MoKα","","0.0484","0.0364","","","0.082","0.0878","","","","","","1.054","","","","has coordinates","306077","2026-05-23","01:24:02",""
"7252017","22.3715","0.0002","21.0369","0.0002","13.42295","0.00012","90","","103.721","0.0009","90","","6136.91","0.1","200","1","200","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H70.73 N8 Na2 O38.37 V4 -","- C34 H44.7332 N8 Na2 O25.3666 V4 -","- C136 H178.933 N32 Na8 O101.466 V16 -","4","1","","Dragancea, Diana; Talmaci, Natalia; Shova, Sergiu; Hanganu, Anamaria; Grabowsky, Simon; Decurtins, Silvio; Liu, Shi-Xia; Baca, Svetlana G.","Oxidovanadium(v) coordination compounds based on 1,5-bis(2-hydroxy-3-methoxybenzylidene)carbohydrazide: from discrete to polymeric assemblies","RSC Advances","2026","16","30","27906","27914","10.1039/D6RA02540D","","x-ray","1.54184","CuKα","","0.085","0.076","","","0.2303","0.2399","","","","","","1.084","","","","has coordinates,has disorder","306077","2026-05-23","01:24:02",""
"7252018","9.8881","0.0004","10.0028","0.0004","11.1361","0.0004","89.059","0.002","84.379","0.002","67.848","0.001","1015","0.07","296","","296","","","","","","","","","5","P -1","-P 1","2","","","","- C9 H18 Cl3 Nd O15 -","- C9 H18 Cl3 Nd O15 -","- C18 H36 Cl6 Nd2 O30 -","2","1","","Khotchasanthong, Kenika; Sricharoen, Chombongkot; Jearanaiwiwat, Pacharapon; Chinchan, Kunlanit; Laksee, Sakchai; Rungtaweevoranit, Bunyarat; Sukwattanasinitt, Mongkol; Chainok, Kittipong","Topological isomers in lanthanide–chloranilate coordination polymers: synthesis, structure and CO2 adsorption properties","RSC Advances","2026","16","30","27809","27817","10.1039/D6RA02049F","","x-ray","0.71073","MoKα","K-L~3~","0.0402","0.033","","","0.0748","0.078","","","","","","1.082","","","","has coordinates,has disorder","306078","2026-05-23","01:24:36",""
"7252019","9.353","0.0003","10.2576","0.0003","10.8835","0.0004","64.711","0.001","69.823","0.001","82.333","0.001","886.03","0.05","296","","296","","","","","","","","","5","P -1","-P 1","2","","","","- C9 H13 Cl3 Eu O12.5 -","- C9 H13 Cl3 Eu O12.5 -","- C18 H26 Cl6 Eu2 O25 -","2","1","","Khotchasanthong, Kenika; Sricharoen, Chombongkot; Jearanaiwiwat, Pacharapon; Chinchan, Kunlanit; Laksee, Sakchai; Rungtaweevoranit, Bunyarat; Sukwattanasinitt, Mongkol; Chainok, Kittipong","Topological isomers in lanthanide–chloranilate coordination polymers: synthesis, structure and CO2 adsorption properties","RSC Advances","2026","16","30","27809","27817","10.1039/D6RA02049F","","x-ray","0.71073","MoKα","K-L~3~","0.0459","0.0306","","","0.0531","0.0571","","","","","","1.077","","","","has coordinates,has disorder","306078","2026-05-23","01:24:36",""
"7252020","9.353","0.0003","10.2576","0.0003","10.8835","0.0004","64.711","0.001","69.823","0.001","82.333","0.001","886.03","0.05","296","","296","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H26 Cl6 O25 Yb2 -","- C18 H26 Cl6 O25 Yb2 -","- C18 H26 Cl6 O25 Yb2 -","1","0.5","","Khotchasanthong, Kenika; Sricharoen, Chombongkot; Jearanaiwiwat, Pacharapon; Chinchan, Kunlanit; Laksee, Sakchai; Rungtaweevoranit, Bunyarat; Sukwattanasinitt, Mongkol; Chainok, Kittipong","Topological isomers in lanthanide–chloranilate coordination polymers: synthesis, structure and CO2 adsorption properties","RSC Advances","2026","16","30","27809","27817","10.1039/D6RA02049F","","x-ray","0.71073","MoKα","K-L~3~","0.0325","0.0235","","","0.0431","0.0453","","","","","","1.112","","","","has coordinates,has disorder","306078","2026-05-23","01:24:36",""
"7252021","12.9769","0.0011","13.5156","0.0012","14.5543","0.0013","90","","107.308","0.003","90","","2437.1","0.4","296","","296","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 Cl3 N2 O10 Yb -","- C19 H16 Cl3 N2 O10 Yb -","- C76 H64 Cl12 N8 O40 Yb4 -","4","1","","Khotchasanthong, Kenika; Sricharoen, Chombongkot; Jearanaiwiwat, Pacharapon; Chinchan, Kunlanit; Laksee, Sakchai; Rungtaweevoranit, Bunyarat; Sukwattanasinitt, Mongkol; Chainok, Kittipong","Topological isomers in lanthanide–chloranilate coordination polymers: synthesis, structure and CO2 adsorption properties","RSC Advances","2026","16","30","27809","27817","10.1039/D6RA02049F","","x-ray","0.71073","MoKα","K-L~3~","0.0301","0.0235","","","0.0431","0.0458","","","","","","1.113","","","","has coordinates,has disorder","306078","2026-05-23","01:24:36",""
"7252022","9.2918","0.0003","10.2132","0.0003","10.8882","0.0004","64.99","0.001","70.009","0.001","82.027","0.001","879.95","0.05","296","","296","","","","","","","","","5","P -1","-P 1","2","","","","- C9 H13 Cl3 O12.5 Tb -","- C9 H13 Cl3 O12.5 Tb -","- C18 H26 Cl6 O25 Tb2 -","2","1","","Khotchasanthong, Kenika; Sricharoen, Chombongkot; Jearanaiwiwat, Pacharapon; Chinchan, Kunlanit; Laksee, Sakchai; Rungtaweevoranit, Bunyarat; Sukwattanasinitt, Mongkol; Chainok, Kittipong","Topological isomers in lanthanide–chloranilate coordination polymers: synthesis, structure and CO2 adsorption properties","RSC Advances","2026","16","30","27809","27817","10.1039/D6RA02049F","","x-ray","0.71073","MoKα","K-L~3~","0.058","0.0335","","","0.051","0.0563","","","","","","1.038","","","","has coordinates,has disorder","306078","2026-05-23","01:24:36",""
"7252023","13.003","0.003","13.505","0.002","14.591","0.003","90","","107.155","0.007","90","","2448.3","0.8","296","","296","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 Cl3 N2 O10 Tm -","- C19 H16 Cl3 N2 O10 Tm -","- C76 H64 Cl12 N8 O40 Tm4 -","4","1","","Khotchasanthong, Kenika; Sricharoen, Chombongkot; Jearanaiwiwat, Pacharapon; Chinchan, Kunlanit; Laksee, Sakchai; Rungtaweevoranit, Bunyarat; Sukwattanasinitt, Mongkol; Chainok, Kittipong","Topological isomers in lanthanide–chloranilate coordination polymers: synthesis, structure and CO2 adsorption properties","RSC Advances","2026","16","30","27809","27817","10.1039/D6RA02049F","","x-ray","0.71073","MoKα","K-L~3~","0.0298","0.0218","","","0.0473","0.0527","","","","","","1.076","","","","has coordinates,has disorder","306078","2026-05-23","01:24:36",""
"7252024","9.3868","0.0003","10.2842","0.0003","10.8837","0.0004","64.594","0.001","69.763","0.001","82.487","0.001","890.28","0.05","296","","296","","","","","","","","","5","P -1","-P 1","2","","","","- C9 H13.5 Cl3 O12.75 Sm -","- C9 H13.5 Cl3 O12.75 Sm -","- C18 H27 Cl6 O25.5 Sm2 -","2","1","","Khotchasanthong, Kenika; Sricharoen, Chombongkot; Jearanaiwiwat, Pacharapon; Chinchan, Kunlanit; Laksee, Sakchai; Rungtaweevoranit, Bunyarat; Sukwattanasinitt, Mongkol; Chainok, Kittipong","Topological isomers in lanthanide–chloranilate coordination polymers: synthesis, structure and CO2 adsorption properties","RSC Advances","2026","16","30","27809","27817","10.1039/D6RA02049F","","x-ray","0.71073","MoKα","K-L~3~","0.0287","0.0217","","","0.0397","0.0414","","","","","","1.092","","","","has coordinates,has disorder","306078","2026-05-23","01:24:36",""
"7252025","9.2039","0.0005","10.1659","0.0005","10.9042","0.0005","65.318","0.002","70.294","0.002","81.578","0.002","872.74","0.08","296","","296","","","","","","","","","5","P -1","-P 1","2","","","","- C9 H13 Cl3 Er O12.5 -","- C9 H13 Cl3 Er O12.5 -","- C18 H26 Cl6 Er2 O25 -","2","1","","Khotchasanthong, Kenika; Sricharoen, Chombongkot; Jearanaiwiwat, Pacharapon; Chinchan, Kunlanit; Laksee, Sakchai; Rungtaweevoranit, Bunyarat; Sukwattanasinitt, Mongkol; Chainok, Kittipong","Topological isomers in lanthanide–chloranilate coordination polymers: synthesis, structure and CO2 adsorption properties","RSC Advances","2026","16","30","27809","27817","10.1039/D6RA02049F","","x-ray","0.71073","MoKα","K-L~3~","0.0326","0.023","","","0.0444","0.0471","","","","","","1.076","","","","has coordinates,has disorder","306078","2026-05-23","01:24:36",""
"7252026","9.2734","0.0003","10.2087","0.0003","10.9033","0.0004","65.088","0.001","70.104","0.001","81.891","0.001","880.29","0.05","296","","296","","","","","","","","","5","P -1","-P 1","2","","","","- C9 H13.4 Cl3 Dy O12.7 -","- C9 H13.4 Cl3 Dy O12.7 -","- C18 H26.8 Cl6 Dy2 O25.4 -","2","1","","Khotchasanthong, Kenika; Sricharoen, Chombongkot; Jearanaiwiwat, Pacharapon; Chinchan, Kunlanit; Laksee, Sakchai; Rungtaweevoranit, Bunyarat; Sukwattanasinitt, Mongkol; Chainok, Kittipong","Topological isomers in lanthanide–chloranilate coordination polymers: synthesis, structure and CO2 adsorption properties","RSC Advances","2026","16","30","27809","27817","10.1039/D6RA02049F","","x-ray","0.71073","MoKα","K-L~3~","0.0467","0.0319","","","0.0528","0.0567","","","","","","1.104","","","","has coordinates,has disorder","306078","2026-05-23","01:24:36",""
"7252027","9.341","0.0003","10.2493","0.0003","10.9033","0.0004","64.837","0.001","69.948","0.001","82.218","0.001","887.47","0.05","296","","296","","","","","","","","","5","P -1","-P 1","2","","","","- C9 H13 Cl3 Gd O12.5 -","- C9 H13 Cl3 Gd O12.5 -","- C18 H26 Cl6 Gd2 O25 -","2","1","","Khotchasanthong, Kenika; Sricharoen, Chombongkot; Jearanaiwiwat, Pacharapon; Chinchan, Kunlanit; Laksee, Sakchai; Rungtaweevoranit, Bunyarat; Sukwattanasinitt, Mongkol; Chainok, Kittipong","Topological isomers in lanthanide–chloranilate coordination polymers: synthesis, structure and CO2 adsorption properties","RSC Advances","2026","16","30","27809","27817","10.1039/D6RA02049F","","x-ray","0.71073","MoKα","K-L~3~","0.0482","0.0336","","","0.0669","0.0714","","","","","","1.069","","","","has coordinates,has disorder","306078","2026-05-23","01:24:36",""
"7252028","9.9173","0.0008","10.0358","0.0009","11.1647","0.001","88.905","0.003","84.58","0.003","67.775","0.003","1023.88","0.16","296","","296","","","","","","","","","5","P -1","-P 1","2","","","","- C9 H18 Cl3 O15 Pr -","- C9 H18 Cl3 O15 Pr -","- C18 H36 Cl6 O30 Pr2 -","2","1","","Khotchasanthong, Kenika; Sricharoen, Chombongkot; Jearanaiwiwat, Pacharapon; Chinchan, Kunlanit; Laksee, Sakchai; Rungtaweevoranit, Bunyarat; Sukwattanasinitt, Mongkol; Chainok, Kittipong","Topological isomers in lanthanide–chloranilate coordination polymers: synthesis, structure and CO2 adsorption properties","RSC Advances","2026","16","30","27809","27817","10.1039/D6RA02049F","","x-ray","0.71073","MoKα","K-L~3~","0.0336","0.0294","","","0.072","0.0748","","","","","","1.059","","","","has coordinates,has disorder","306078","2026-05-23","01:24:36",""
"7252029","9.1844","0.0003","10.1584","0.0003","10.898","0.0004","65.412","0.001","70.356","0.001","81.469","0.001","870.72","0.05","296","","296","","","","","","","","","5","P -1","-P 1","2","","","","- C9 H13 Cl3 O12.5 Tm -","- C9 H13 Cl3 O12.5 Tm -","- C18 H26 Cl6 O25 Tm2 -","2","1","","Khotchasanthong, Kenika; Sricharoen, Chombongkot; Jearanaiwiwat, Pacharapon; Chinchan, Kunlanit; Laksee, Sakchai; Rungtaweevoranit, Bunyarat; Sukwattanasinitt, Mongkol; Chainok, Kittipong","Topological isomers in lanthanide–chloranilate coordination polymers: synthesis, structure and CO2 adsorption properties","RSC Advances","2026","16","30","27809","27817","10.1039/D6RA02049F","","x-ray","0.71073","MoKα","K-L~3~","0.0398","0.0279","","","0.0476","0.0507","","","","","","1.122","","","","has coordinates,has disorder","306078","2026-05-23","01:24:36",""
"7252030","8.8724","0.0001","16.9583","0.0003","17.6998","0.0004","76.181","0.002","89.867","0.002","89.996","0.002","2586.04","0.08","173.15","","173.15","","","","","","","","","6","P -1","-P 1","2","","Cu4(4,4?-bipy)4(H2PO4)4?7H2O","","- C40 H38 Cu4 N8 O16 P4 -","- C40 H37 Cu4 N8 O16 P4 -","- C80 H74 Cu8 N16 O32 P8 -","2","1","","Carmona-Sepúlveda, Isis P; Kerenick, Adelaide R.; Fenton, Julie L.","Solvent-Induced Structural and Optical Transformations in a Hybrid Copper Phosphate Framework","CrystEngComm","2026","","","","","10.1039/D6CE00295A","","","1.54184","CuKα","","0.1358","0.1292","","","0.2828","0.2856","","","","","","1.055","","","","has coordinates,has disorder","306088","2026-05-25","22:38:32",""
"7252031","8.9384","0.0006","8.8927","0.0005","8.4655","0.0005","90","","103.346","0.007","90","","654.72","0.07","173.01","0.1","173.01","0.1","","","","","","","","6","P 1 c 1","P -2yc","7","","Cubipy MeOH","","- C11 H14 Cu N2 O5 P -","- C11 H14 Cu N2 O5 P -","- C22 H28 Cu2 N4 O10 P2 -","2","1","","Carmona-Sepúlveda, Isis P; Kerenick, Adelaide R.; Fenton, Julie L.","Solvent-Induced Structural and Optical Transformations in a Hybrid Copper Phosphate Framework","CrystEngComm","2026","","","","","10.1039/D6CE00295A","","x-ray","1.54184","CuKα","","0.0556","0.051","","","0.1452","0.148","","","","","","1.098","","","","has coordinates","306088","2026-05-25","22:38:32",""
"7252032","8.5755","0.0003","8.7283","0.0002","8.569","0.0003","90","","105.924","0.004","90","","616.77","0.04","399.9","0.7","399.9","0.7","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C10 H10 Cu N2 O4 P -","- C10 H10 Cu N2 O4 P -","- C20 H20 Cu2 N4 O8 P2 -","2","0.5","","Carmona-Sepúlveda, Isis P; Kerenick, Adelaide R.; Fenton, Julie L.","Solvent-Induced Structural and Optical Transformations in a Hybrid Copper Phosphate Framework","CrystEngComm","2026","","","","","10.1039/D6CE00295A","","x-ray","1.54184","CuKα","","0.041","0.0373","","","0.1053","0.1088","","","","","","0.999","","","","has coordinates","306088","2026-05-25","22:38:32",""
"7252033","10.288","0.002","15.184","0.003","27.605","0.006","90","","90","","90","","4312.3","1.5","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H22 N3 O4 Rh S -","- C24 H22 N3 O4 Rh S -","- C192 H176 N24 O32 Rh8 S8 -","8","1","","Jacewicz, Dagmara; Pobłocki, Kacper; Bialek, Marzena; Jarzembska, Katarzyna N.; Kaminski, Radoslaw","Single-Crystal XRD Characterization, Physicochemical Properties and Catalytic Activity of Rhodium(III/IV) Coordination Compounds","Physical Chemistry Chemical Physics","2026","","","","","10.1039/D6CP00682E","","x-ray","1.54184","CuKα","","0.0665","0.055","","","0.1253","0.13","","","","2.9204","2.9204","2.7349","","","","has coordinates","306091","2026-05-26","01:03:10",""
"7252034","10.247","0.002","15.255","0.003","27.6","0.006","90","","90","","90","","4314.4","1.5","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H22 N3 O4 Rh S -","- C24 H22 N3 O4 Rh S -","- C192 H176 N24 O32 Rh8 S8 -","8","1","","Jacewicz, Dagmara; Pobłocki, Kacper; Bialek, Marzena; Jarzembska, Katarzyna N.; Kaminski, Radoslaw","Single-Crystal XRD Characterization, Physicochemical Properties and Catalytic Activity of Rhodium(III/IV) Coordination Compounds","Physical Chemistry Chemical Physics","2026","","","","","10.1039/D6CP00682E","","x-ray","1.54184","CuKα","","0.0795","0.0613","","","0.1334","0.1376","","","","3.5711","3.5711","3.2042","","","","has coordinates","306091","2026-05-26","01:03:10",""
"7252035","13.67","0.003","9.858","0.002","13.826","0.003","90","","107.76","0.03","90","","1774.4","0.7","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H13 N3 O5 Rh S -","- C19 H13 N3 O5 Rh S -","- C76 H52 N12 O20 Rh4 S4 -","4","1","","Jacewicz, Dagmara; Pobłocki, Kacper; Bialek, Marzena; Jarzembska, Katarzyna N.; Kaminski, Radoslaw","Single-Crystal XRD Characterization, Physicochemical Properties and Catalytic Activity of Rhodium(III/IV) Coordination Compounds","Physical Chemistry Chemical Physics","2026","","","","","10.1039/D6CP00682E","","x-ray","1.54184","CuKα","","0.0392","0.032","","","0.0771","0.0937","","","","1.7609","1.7609","1.9775","","","","has coordinates","306091","2026-05-26","01:03:10",""
"7252036","13.6552","0.0005","9.873","0.0003","13.8328","0.0006","90","","107.743","0.004","90","","1776.2","0.12","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H13 N3 O5 Rh S -","- C19 H13 N3 O5 Rh S -","- C76 H52 N12 O20 Rh4 S4 -","4","1","","Jacewicz, Dagmara; Pobłocki, Kacper; Bialek, Marzena; Jarzembska, Katarzyna N.; Kaminski, Radoslaw","Single-Crystal XRD Characterization, Physicochemical Properties and Catalytic Activity of Rhodium(III/IV) Coordination Compounds","Physical Chemistry Chemical Physics","2026","","","","","10.1039/D6CP00682E","","x-ray","1.54184","CuKα","","0.038","0.031","","","0.0727","0.0766","","","","1.7051","1.7051","1.6577","","","","has coordinates","306091","2026-05-26","01:03:10",""
"7252037","24.4224","0.0002","21.02902","0.00017","27.2635","0.0002","90","","103.091","0.0009","90","","13638.1","0.19","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C105 H203 N38 O56 -","- C105 H123 N38 O16 -","- C420 H492 N152 O64 -","4","1","","Jakubik, Natasza; Zaorska, Ewelina; Malinska, Maura","Salt-Dependent Switching of Crystal Packing in Cucurbituril-Antidepressant Crystals","CrystEngComm","2026","","","","","10.1039/D6CE00242K","","x-ray","1.54184","CuKα","","0.1018","0.0894","","","0.2679","0.2772","","","","","","1.056","","","","has coordinates","306094","2026-05-26","22:34:10",""
"7252038","15.37288","0.0002","28.449","0.0003","22.9354","0.0004","90","","103.951","0.0015","90","","9734.8","0.2","100","0.1","100.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C76 H100 Cl2 N26 O34 -","- C76 H100 Cl1.999 N26 O34 -","- C304 H400 Cl7.996 N104 O136 -","4","0.5","","Jakubik, Natasza; Zaorska, Ewelina; Malinska, Maura","Salt-Dependent Switching of Crystal Packing in Cucurbituril-Antidepressant Crystals","CrystEngComm","2026","","","","","10.1039/D6CE00242K","","","1.54184","CuKα","","0.0936","0.0798","","","0.2304","0.243","","","","","","1.019","","","","has coordinates,has disorder","306094","2026-05-26","22:34:10",""
"7252039","34.9198","0.0006","12.5734","0.0002","27.4982","0.0006","90","","90","","90","","12073.4","0.4","100.01","0.1","100.15","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C98 H158 B N36 O54 -","- C98 H110 B N36 O30 -","- C392 H440 B4 N144 O120 -","4","1","","Jakubik, Natasza; Zaorska, Ewelina; Malinska, Maura","Salt-Dependent Switching of Crystal Packing in Cucurbituril-Antidepressant Crystals","CrystEngComm","2026","","","","","10.1039/D6CE00242K","","","1.54184","CuKα","","0.1005","0.0808","","","0.2321","0.26","","","","","","1.069","","","","has coordinates,has disorder","306094","2026-05-26","22:34:10",""
"7252040","41.5159","0.0002","41.5159","0.0002","32.1265","0.0001","90","","90","","120","","47953.8","0.4","100","0.1","100","0.1","","","","","","","","4","R -3 :H","-R 3","148","","","","- C76 H144 N26 O42 -","- C76 H84 N26 O12 -","- C1368 H1512 N468 O216 -","18","1","","Jakubik, Natasza; Zaorska, Ewelina; Malinska, Maura","Salt-Dependent Switching of Crystal Packing in Cucurbituril-Antidepressant Crystals","CrystEngComm","2026","","","","","10.1039/D6CE00242K","","x-ray","1.54184","CuKα","","0.0604","0.0551","","","0.1864","0.1904","","","","","","1.09","","","","has coordinates","306094","2026-05-26","22:34:10",""
"7252041","8.3736","0.0003","7.696","0.0003","18.2768","0.0007","90","","99.008","0.001","90","","1163.29","0.08","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H24 Ag Bi Br8 N4 -","- C6 H24 Ag Bi Br8 N4 -","- C12 H48 Ag2 Bi2 Br16 N8 -","2","0.5","","Parashar, Kanika; Pinky, Tamanna; Yamamoto, Nobuyuki; Gunasooriya, G. T. Kasun Kalhara; Smith, Mark D.; Saparov, Bayram; Navodye, S. A. Keishana","Thermochromism and X-ray Detection Capabilities of a Hybrid Double Metal Halide Perovskite (C3H12N2)2AgBiBr8","CrystEngComm","2026","","","","","10.1039/D6CE00175K","","x-ray","0.71073","MoKα","","0.039","0.0372","","","0.1005","0.1019","","","","","","1.054","","","","has coordinates","306095","2026-05-26","22:34:28",""
"7252042","18.9998","0.0015","7.8787","0.0007","8.3765","0.0008","90","","107.287","0.003","90","","1197.27","0.18","400","2","400","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C6 H24 Ag Bi Br8 N4 -","- C6 H24 Ag Bi Br8 N4 -","- C12 H48 Ag2 Bi2 Br16 N8 -","2","0.25","","Parashar, Kanika; Pinky, Tamanna; Yamamoto, Nobuyuki; Gunasooriya, G. T. Kasun Kalhara; Smith, Mark D.; Saparov, Bayram; Navodye, S. A. Keishana","Thermochromism and X-ray Detection Capabilities of a Hybrid Double Metal Halide Perovskite (C3H12N2)2AgBiBr8","CrystEngComm","2026","","","","","10.1039/D6CE00175K","","","0.71073","MoKα","","0.0264","0.024","","","0.0579","0.0598","","","","","","1.054","","","","has coordinates,has disorder","306095","2026-05-26","22:34:28",""
"7252043","7.4837","0.0006","9.1874","0.0008","11.7223","0.0009","90","","91.347","0.003","90","","805.75","0.11","200","","200","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- Au I3 Rb -","- Au I3 Rb -","- Au4 I12 Rb4 -","4","1","","Fu, Xifeng; Li, Xue; Liu, Chang; Liu, Jin; Guo, Sai; Nan, Zi-Ang; Gao, Peng; Meng, Lingyi","Crystal Phase and Composition Synergy for Optimized Optoelectronic Performance and Carrier Dynamics in Rb2Au2X6(X=Cl, I) Perovskites","Physical Chemistry Chemical Physics","2026","","","","","10.1039/D6CP01696K","","","0.71073","MoKα","","0.0761","0.0732","","","0.1999","0.2033","","","","","","1.066","","","","has coordinates","306099","2026-05-27","01:01:54",""
"7252044","9.9045","0.0009","10.4697","0.0008","14.7351","0.0012","72.154","0.005","85.084","0.005","65.666","0.005","1323.8","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C H Mo N O S -","- C40 H50 Mo2 N4 O14 S2 -","- C40 H50 Mo2 N4 O14 S2 -","1","0.5","","Maji, Sangita; Mandal, Prasenjit; De, Amit Kumar; Chatterjee, Sudeshna; Das, Debasis","Single crystal X-ray-structurally characterized Mo(vi) complexes of thiophene-appended amide–imine conjugates for optical recognition of calcon and 2-aminobutyric acid","RSC Advances","2026","16","31","28743","28750","10.1039/D6RA02104B","","","0.71073","MoKα","","0.115","0.0931","","","0.2685","0.2867","","","","","","2.02","","","","has coordinates","306110","2026-05-28","01:28:05",""
"7252045","8.2019","0.0008","8.5271","0.0009","12.813","0.0013","93.903","0.005","92.557","0.005","96.706","0.005","886.68","0.16","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C H Cl Mo N O S -","- C15 H16 Mo N2 O6 S -","- C30 H32 Mo2 N4 O12 S2 -","2","1","","Maji, Sangita; Mandal, Prasenjit; De, Amit Kumar; Chatterjee, Sudeshna; Das, Debasis","Single crystal X-ray-structurally characterized Mo(vi) complexes of thiophene-appended amide–imine conjugates for optical recognition of calcon and 2-aminobutyric acid","RSC Advances","2026","16","31","28743","28750","10.1039/D6RA02104B","","","0.71073","MoKα","","0.0884","0.0815","","","0.2539","0.2638","","","","","","2.235","","","","has coordinates","306110","2026-05-28","01:28:05",""
"7252046","14.24","0.05","10.34","0.04","6.28","0.02","97.16","0.16","94.52","0.19","72.74","0.19","875","5","297","2","297","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H13 K O3 -","- C14 H13 K O3 -","- C28 H26 K2 O6 -","2","1","","Antonio, Marina; Terrestre, Gustavo; Barolin, Sebastian Andres; Maggio, Ruben Mariano","A novel naproxen potassium dihydrate: Single-crystal structure and solid-state characterization of the dihydrate and its anhydrous form with improved dissolution properties","CrystEngComm","2026","","","","","10.1039/D6CE00184J","powder diffraction","","1.54059","CuKα~1~","","","","","","","","","0.8435","12.6556","","","","","","","has coordinates","306117","2026-05-29","00:18:44",""
"7252047","5.8283","0.0018","6.5533","0.0019","38.66","0.013","90","","90","","90","","1476.6","0.8","297","2","297","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H17 K O5 -","- C14 H17 K O5 -","- C56 H68 K4 O20 -","4","1","","Antonio, Marina; Terrestre, Gustavo; Barolin, Sebastian Andres; Maggio, Ruben Mariano","A novel naproxen potassium dihydrate: Single-crystal structure and solid-state characterization of the dihydrate and its anhydrous form with improved dissolution properties","CrystEngComm","2026","","","","","10.1039/D6CE00184J","","","0.71073","MoKα","","0.1061","0.0834","","","0.141","0.1483","","","","","","1.16","","","","has coordinates","306117","2026-05-29","00:18:44",""
"7252048","6.6662","0.0003","6.432","0.0003","10.4793","0.0006","90","","97.209","0.002","90","","445.77","0.04","303","2","303","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C4 H9 Cl2 Cu N O2 S -","- C4 H8 Cl2 Cu N O2 S -","- C8 H16 Cl4 Cu2 N2 O4 S2 -","2","1","","Wang, Yingjie; Qian, Peiqi; Wen, Xuemei; Zeng, Hongmei; Zou, Guohong; Lin, Zhien","Second-harmonic generation in two hybrid organic—inorganic metal chlorides based on L-thioproline ligand","CrystEngComm","2026","","","","","10.1039/D6CE00330C","","","0.71073","MoKα","","0.0578","0.0559","","","0.1466","0.1496","","","","","","1.156","","","","has coordinates","306131","2026-05-29","22:41:51",""
"7252049","6.3335","0.0004","8.6765","0.0004","13.404","0.0007","90","","93.103","0.002","90","","735.5","0.07","302","2","302","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C8 H14 Cl2 N2 O4 S2 Zn -","- C8 H14 Cl2 N2 O4 S2 Zn -","- C16 H28 Cl4 N4 O8 S4 Zn2 -","2","1","","Wang, Yingjie; Qian, Peiqi; Wen, Xuemei; Zeng, Hongmei; Zou, Guohong; Lin, Zhien","Second-harmonic generation in two hybrid organic—inorganic metal chlorides based on L-thioproline ligand","CrystEngComm","2026","","","","","10.1039/D6CE00330C","","x-ray","0.71073","MoKα","","0.0463","0.0316","","","0.0591","0.0638","","","","","","1.032","","","","has coordinates","306131","2026-05-29","22:41:51",""
"7252050","7.77903","0.00018","19.1459","0.0005","23.0014","0.0005","90","","94.621","0.002","90","","3414.61","0.14","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H35 Fe N4 O7 S -","- C31 H35 Fe N4 O7 S -","- C124 H140 Fe4 N16 O28 S4 -","4","1","","Li, Xiaochun; Wong, Joanne W. L.; Wang, Mengmeng; Draoui, Youssef; Wolff, Mariusz; Robeyns, Koen; Rotaru, Aurelian; Garcia, Yann","Crystal engineering of p-sulfocinnamic acid into mononuclear cationic Fe(ii), Co(ii) and Fe(iii) complexes","CrystEngComm","2026","","","","","10.1039/D6CE00068A","","","0.71073","MoKα","","0.0396","0.0361","","","0.0986","0.1046","","","","","","1.061","","","","has coordinates","306132","2026-05-29","22:42:21",""
"7252051","22.629","0.006","12.037","0.002","18.248","0.005","90","","101.81","0.03","90","","4865","2","297","2","297","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C49.8 H45.2 Fe N6 O11.8 S2 -","- C49.8 H45.2 Fe N6 O11.8 S2 -","- C199.2 H180.8 Fe4 N24 O47.2 S8 -","4","0.5","","Li, Xiaochun; Wong, Joanne W. L.; Wang, Mengmeng; Draoui, Youssef; Wolff, Mariusz; Robeyns, Koen; Rotaru, Aurelian; Garcia, Yann","Crystal engineering of p-sulfocinnamic acid into mononuclear cationic Fe(ii), Co(ii) and Fe(iii) complexes","CrystEngComm","2026","","","","","10.1039/D6CE00068A","","","0.71073","MoKα","","0.0834","0.0685","","","0.1699","0.1816","","","","","","1.082","","","","has coordinates,has disorder","306132","2026-05-29","22:42:21",""
"7252052","22.1092","0.0009","12.0224","0.0004","18.1003","0.0006","90","","99.191","0.004","90","","4749.4","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C50 H46 Co N6 O12 S2 -","- C50 H46 Co N6 O12 S2 -","- C200 H184 Co4 N24 O48 S8 -","4","0.5","","Li, Xiaochun; Wong, Joanne W. L.; Wang, Mengmeng; Draoui, Youssef; Wolff, Mariusz; Robeyns, Koen; Rotaru, Aurelian; Garcia, Yann","Crystal engineering of p-sulfocinnamic acid into mononuclear cationic Fe(ii), Co(ii) and Fe(iii) complexes","CrystEngComm","2026","","","","","10.1039/D6CE00068A","","","0.71073","MoKα","","0.0359","0.0316","","","0.0848","0.0862","","","","","","1.074","","","","has coordinates","306132","2026-05-29","22:42:21",""
"7252053","6.2135","0.0009","7.516","0.0005","14.987","0.002","84.066","0.009","82.739","0.011","81.653","0.009","684.35","0.14","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H34 Co O20 S2 -","- C18 H34 Co O20 S2 -","- C18 H34 Co O20 S2 -","1","0.5","","Li, Xiaochun; Wong, Joanne W. L.; Wang, Mengmeng; Draoui, Youssef; Wolff, Mariusz; Robeyns, Koen; Rotaru, Aurelian; Garcia, Yann","Crystal engineering of p-sulfocinnamic acid into mononuclear cationic Fe(ii), Co(ii) and Fe(iii) complexes","CrystEngComm","2026","","","","","10.1039/D6CE00068A","","","0.71073","MoKα","","0.0316","0.0306","","","0.074","0.0745","","","","","","1.092","","","","has coordinates,has disorder","306132","2026-05-29","22:42:21",""
"7252054","22.388","0.003","12.0378","0.0008","18.003","0.003","90","","101.438","0.015","90","","4755.5","1.1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C49.2 H40.8 Co N6 O11.2 S2 -","- C49.2 H40.8 Co N6 O11.2 S2 -","- C196.8 H163.2 Co4 N24 O44.8 S8 -","4","0.5","","Li, Xiaochun; Wong, Joanne W. L.; Wang, Mengmeng; Draoui, Youssef; Wolff, Mariusz; Robeyns, Koen; Rotaru, Aurelian; Garcia, Yann","Crystal engineering of p-sulfocinnamic acid into mononuclear cationic Fe(ii), Co(ii) and Fe(iii) complexes","CrystEngComm","2026","","","","","10.1039/D6CE00068A","","","0.71073","MoKα","","0.0851","0.0702","","","0.1863","0.1992","","","","","","1.056","","","","has coordinates,has disorder","306132","2026-05-29","22:42:21",""
"7252055","8.10565","0.00014","8.25059","0.00019","33.4784","0.0008","90.6588","0.0019","90.3372","0.0017","97.2798","0.0017","2220.66","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H33 Fe N5 O13 S2 -","- C31 H33 Fe N5 O13 S2 -","- C62 H66 Fe2 N10 O26 S4 -","2","1","","Li, Xiaochun; Wong, Joanne W. L.; Wang, Mengmeng; Draoui, Youssef; Wolff, Mariusz; Robeyns, Koen; Rotaru, Aurelian; Garcia, Yann","Crystal engineering of p-sulfocinnamic acid into mononuclear cationic Fe(ii), Co(ii) and Fe(iii) complexes","CrystEngComm","2026","","","","","10.1039/D6CE00068A","","","0.71073","MoKα","","0.0715","0.0683","","","0.1802","0.182","","","","","","1.091","","","","has coordinates,has disorder","306132","2026-05-29","22:42:21",""
"7252056","6.512","0.003","6.536","0.003","18.147","0.009","81.02","0.04","88.71","0.04","64.85","0.05","689.8","0.6","297","2","297","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H30 Co O18 S2 -","- C18 H30 Co O18 S2 -","- C18 H30 Co O18 S2 -","1","0.5","","Li, Xiaochun; Wong, Joanne W. L.; Wang, Mengmeng; Draoui, Youssef; Wolff, Mariusz; Robeyns, Koen; Rotaru, Aurelian; Garcia, Yann","Crystal engineering of p-sulfocinnamic acid into mononuclear cationic Fe(ii), Co(ii) and Fe(iii) complexes","CrystEngComm","2026","","","","","10.1039/D6CE00068A","","","0.71073","MoKα","","0.0769","0.0726","","","0.2009","0.2046","","","","","","1.079","","","","has coordinates,has disorder","306132","2026-05-29","22:42:21",""
"7252057","6.31344","0.0002","7.5814","0.0003","30.1365","0.0013","93.468","0.004","95.138","0.003","98.427","0.003","1417.19","0.1","297","2","297","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H34 Co O20 S2 -","- C18 H34 Co O20 S2 -","- C36 H68 Co2 O40 S4 -","2","1","","Li, Xiaochun; Wong, Joanne W. L.; Wang, Mengmeng; Draoui, Youssef; Wolff, Mariusz; Robeyns, Koen; Rotaru, Aurelian; Garcia, Yann","Crystal engineering of p-sulfocinnamic acid into mononuclear cationic Fe(ii), Co(ii) and Fe(iii) complexes","CrystEngComm","2026","","","","","10.1039/D6CE00068A","","","0.71073","MoKα","","0.046","0.0409","","","0.1154","0.1266","","","","","","1.059","","","","has coordinates","306132","2026-05-29","22:42:21",""
"7252058","14.243","0.0003","6.1344","0.0001","26.191","0.0005","90","","103.941","0.002","90","","2220.96","0.08","100","0.1","100","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C26 H16 N4 O8 -","- C26 H16 N4 O8 -","- C104 H64 N16 O32 -","4","0.5","","Ishaq, Adnan; Male, Louise; Champness, Neil R.","Positional Isomerism and Short Hydrogen Bonds Govern Photochromic Behaviour in dipyridyl-NDI…Formic Acid Co-crystals","CrystEngComm","2026","","","","","10.1039/D6CE00262E","","x-ray","1.54184","CuKα","","0.0536","0.0479","","","0.1313","0.1379","","","","","","1.069","","","","has coordinates","306133","2026-05-29","22:42:41",""
"7252059","14.6846","0.0001","16.1527","0.0001","20.7724","0.0002","90","","92.224","0.001","90","","4923.42","0.07","100","","100","","","","","","","","","4","P 1 c 1","P -2yc","7","","D2PNDI.3FAH","","- C27 H18 N4 O10 -","- C27 H18 N4 O10 -","- C216 H144 N32 O80 -","8","4","","Ishaq, Adnan; Male, Louise; Champness, Neil R.","Positional Isomerism and Short Hydrogen Bonds Govern Photochromic Behaviour in dipyridyl-NDI…Formic Acid Co-crystals","CrystEngComm","2026","","","","","10.1039/D6CE00262E","","","0.6889","Synchrotron","","0.1283","0.1132","","","0.3335","0.3408","","","","","","1.282","","","","has coordinates","306133","2026-05-29","22:42:41",""
"7252060","14.1085","0.0015","25.018","0.003","43.383","0.005","90","","90","","90","","15313","3","193","0.1","193","0.1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C72 H57 Cl2 F24 N5 O2 P4 -","- C72 H57 Cl2 F24 N5 O2 P4 -","- C576 H456 Cl16 F192 N40 O16 P32 -","8","2","","Yang, Qing; Li, Jingya; He, Yanni; Gao, Ting; Zhou, Yanyan; Li, Hongfeng","Chiral blue box host-guest encapsulation induced CPL from achiral planar fluorescence dyes","CrystEngComm","2026","","","","","10.1039/D6CE00256K","","x-ray","0.71073","MoKα","","0.2074","0.1041","","","0.2438","0.3037","","","","","","1.011","","","","has coordinates,has disorder","306134","2026-05-29","22:42:50",""
"7252061","7.2678","0.0009","11.156","0.0014","16.214","0.002","90","","90","","90","","1314.6","0.3","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 O4 -","- C15 H20 O4 -","- C60 H80 O16 -","4","1","","Zhao, Qiu-Ye; Yin, Shi-Huan; Wang, Xin-Ying; Sai, Lu; Ding, Lin-Fen; Wu, Xing-De","Magnorolins A–L: sesquiterpenoids with diverse skeletons from the fruits of Magnolia grandiflora and their cytotoxic and anti-inflammatory activities","RSC Advances","2026","16","32","29012","29024","10.1039/D6RA02737G","","x-ray","1.54178","CuKα","","0.0338","0.0336","","","0.0899","0.0902","","","","","","1.06","","","","has coordinates","306140","2026-05-30","01:41:03",""
"7252062","8.5056","0.0003","39.674","0.0013","7.9424","0.0003","90","","94.882","0.002","90","","2670.45","0.16","303","","303","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","H6-4-2-1-1 and H6-4-2-1-2","","- C14 H18 O4 -","- C14 H18 O4 -","- C112 H144 O32 -","8","2","","Cong, Yajuan; Wang, Haotian; Wang, Hong; Jiang, Jing; Li, Lanying; Wu, Runyu; Zhang, Yixuan; Huo, Qiang; Zhu, Meilin","Chemical epigenetic modification uncovers new isocoumarins from the endophyte Dothideomycetes sp. BMC-101","RSC Advances","2026","16","32","29240","29248","10.1039/D6RA02544G","","","1.54178","CuKα","","0.0893","0.0674","","","0.185","0.2007","","","","","","1.077","","","","has coordinates","306141","2026-05-30","01:41:09",""
"7252063","10.583","0.002","22.795","0.005","16.55","0.004","90","","90","","90","","3992.5","1.5","296","2","296.15","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C33 H37 Hg I2 N8 O2 S2 -","- C33 H37 Hg I2 N8 O2 S2 -","- C132 H148 Hg4 I8 N32 O8 S8 -","4","0.5","","Sharma, Sanyog; Patra, Nabajyoti; Kaur, Navdeep; Pati, Pratap Kumar; Mandal, Sanjay; Bharatam, P. V.; Lobana, Tarlok Singh","Bis-thiosemicarbazone functions as a selective chemosensor with the lowest LOD for Hg ions in water-rich medium: implications for on-site detection and logic gate experiments","RSC Advances","2026","16","32","29291","29304","10.1039/D6RA02561G","","","0.71073","MoKα","","0.028","0.0231","","","0.0582","0.0603","","","","","","1.075","","","","has coordinates,has disorder","306142","2026-05-30","01:41:15",""
"7252064","13.5455","0.0005","14.0485","0.0005","22.4224","0.0008","95.993","0.002","103.731","0.002","94.466","0.002","4098.9","0.3","215","","215","","","","","","","","","5","P -1","-P 1","2","","","","- C87 H71 Cl9 N4 S2 -","- C84 H68 N4 S2 -","- C168 H136 N8 S4 -","2","1","","Chen, Hao; Ding, Jiaxin; Tang, Yirong; Zhang, Zongqi","Synthesis and Structural Characterization of a Nonaromatic Dithia-di-2,6-naphthioctaphyrin(1.0.0.1.1.0.0.1)","Physical Chemistry Chemical Physics","2026","","","","","10.1039/D6CP01024E","","","1.54178","CuKα","","0.1107","0.0728","","","0.2174","0.2413","","","","","","1.116","","","","has coordinates","306159","2026-06-02","00:59:50",""
"7252065","5.507","0.002","5.1404","0.0016","21.964","0.008","90","","97.038","0.012","90","","617.1","0.4","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Benzoic acid","","- C7 H6 O2 -","- C7 H6 O2 -","- C28 H24 O8 -","4","1","","Rajput, Deepak; Dalvi, Sameer V.","Brittle or plastic? Revisiting the mechanical behavior of benzoic acid crystals","CrystEngComm","2026","","","","","10.1039/D6CE00164E","","","0.71073","MoKα","","0.0826","0.0578","","","0.1291","0.1421","","","","","","1.119","","","","has coordinates","306167","2026-06-02","22:36:45",""
"7252067","8.8697","0.0007","11.6281","0.0009","21.0229","0.0016","105.204","0.004","90.63","0.005","106.351","0.005","1999.3","0.3","223","","223","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H42 Cu5 I7 N4 O6 -","- C20 H42 Cu5 I7 N4 O6 -","- C40 H84 Cu10 I14 N8 O12 -","2","1","","Wu, Qian; Lu, Zhen-Zhong; Zhang, Rui","Copper(i) iodide complexes based on [Cu5I7]2− units and cationic organic ligands for X-ray scintillation and imaging","CrystEngComm","2026","","","","","10.1039/D6CE00336B","","","1.54178","CuKα","","0.0586","0.0498","","","0.1378","0.1453","","","","","","1.006","","","","has coordinates","306180","2026-06-03","22:37:01",""
"7252068","15.1079","0.0012","16.0103","0.0012","8.814","0.0007","90","","115.038","0.003","90","","1931.6","0.3","223","","223","","","","","","","","","6","C 1 m 1","C -2y","8","","","","- C21 H43 Cu5 I7 N5 O2 -","- C21 H42 Cu5 I7 N5 O2 -","- C42 H84 Cu10 I14 N10 O4 -","2","0.5","","Wu, Qian; Lu, Zhen-Zhong; Zhang, Rui","Copper(i) iodide complexes based on [Cu5I7]2− units and cationic organic ligands for X-ray scintillation and imaging","CrystEngComm","2026","","","","","10.1039/D6CE00336B","","","0.71073","MoKα","","0.0305","0.0287","","","0.077","0.0782","","","","","","1.065","","","","has coordinates,has disorder","306180","2026-06-03","22:37:01",""
"7252069","7.4884","0.0013","7.9533","0.0018","23.224","0.005","90","","90","","90","","1383.2","0.5","293.15","","293.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C6 H15 Br3 N4 O2 Zn -","- C6 H15 Br3 N4 O2 Zn -","- C24 H60 Br12 N16 O8 Zn4 -","4","1","","Cheng, Juan; Wang, Yingjie; Zhong, Qinglan; Zhou, Ziyu; Zeng, Hongmei; Zou, Guohong; Lin, Zhien","Second-harmonic generation responses in low-dimensional metal bromides functionalized with l-arginine","CrystEngComm","2026","28","19","3041","3045","10.1039/D6CE00227G","","","0.71073","MoKα","","0.056","0.0434","","","0.0856","0.0917","","","","","","1.026","","","","has coordinates","306204","2026-06-04","11:58:44",""
"7252070","8.63","0.0004","8.9276","0.0003","16.3743","0.0007","90","","97.153","0.004","90","","1251.74","0.09","293.15","","293.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C12 H28 Br4 Cd2 N8 O4 -","- C12 H28 Br4 Cd2 N8 O4 -","- C24 H56 Br8 Cd4 N16 O8 -","2","1","","Cheng, Juan; Wang, Yingjie; Zhong, Qinglan; Zhou, Ziyu; Zeng, Hongmei; Zou, Guohong; Lin, Zhien","Second-harmonic generation responses in low-dimensional metal bromides functionalized with l-arginine","CrystEngComm","2026","28","19","3041","3045","10.1039/D6CE00227G","","x-ray","0.71073","MoKα","","0.0677","0.0549","","","0.1423","0.1641","","","","","","0.746","","","","has coordinates","306204","2026-06-04","11:58:44",""
"7252071","7.9037","0.0002","10.4272","0.0003","13.7246","0.0003","110.671","0.002","102.621","0.002","96.771","0.002","1008.87","0.05","300","","300","","","","","","","","","6","P 1","P 1","1","","","","- C12 H36 Br10 N8 O6 Pb3 -","- C12 H36 Br10 N8 O6 Pb3 -","- C12 H36 Br10 N8 O6 Pb3 -","1","1","","Cheng, Juan; Wang, Yingjie; Zhong, Qinglan; Zhou, Ziyu; Zeng, Hongmei; Zou, Guohong; Lin, Zhien","Second-harmonic generation responses in low-dimensional metal bromides functionalized with l-arginine","CrystEngComm","2026","28","19","3041","3045","10.1039/D6CE00227G","","x-ray","0.71073","MoKα","","0.0724","0.0628","","","0.151","0.1564","","","","","","1.014","","","","has coordinates","306204","2026-06-04","11:58:44",""
"7252072","11.8593","0.0004","15.2353","0.0006","16.0329","0.0006","64.5256","0.0012","81.2254","0.0012","67.5368","0.0012","2416.52","0.16","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","N,N'-Bis(9-(4-methoxyphenyl)-9H-xanthen-9-yl)ethane-1,2-diamine","","- C42 H36 N2 O4 -","- C42 H36 N2 O4 -","- C126 H108 N6 O12 -","3","1.5","","Barton, Benita; Adam, Muhammad-Ameen; Hosten, Eric C.","The host potential of N,N′-bis(9-(4-methoxyphenyl)-9H-xanthen-9-yl)ethane-1,2-diamine for xylene and ethylbenzene isomers, and its selectivity behaviour in mixed guest solutions","CrystEngComm","2026","28","20","3188","3199","10.1039/D6CE00160B","","","0.71073","MoKα","","0.065","0.0533","","","0.1163","0.1222","","","","","","1.132","","","","has coordinates","306205","2026-06-04","11:59:10",""
"7252073","8.6383","0.0003","9.2258","0.0003","15.8317","0.0005","104.06","0.001","91.052","0.001","108.317","0.001","1155.74","0.07","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","N,N'-Bis(9-(4-methoxyphenyl)-9H-xanthen-9-yl)ethane-1,2-diamine","","- C58 H56 N2 O4 -","- C58 H56 N2 O4 -","- C58 H56 N2 O4 -","1","0.5","","Barton, Benita; Adam, Muhammad-Ameen; Hosten, Eric C.","The host potential of N,N′-bis(9-(4-methoxyphenyl)-9H-xanthen-9-yl)ethane-1,2-diamine for xylene and ethylbenzene isomers, and its selectivity behaviour in mixed guest solutions","CrystEngComm","2026","28","20","3188","3199","10.1039/D6CE00160B","","","0.71073","MoKα","","0.0833","0.0545","","","0.1252","0.1605","","","","","","1.107","","","","has coordinates,has disorder","306205","2026-06-04","11:59:10",""
"7252074","17.8696","0.0012","10.5775","0.0007","22.5364","0.0014","90","","111.015","0.002","90","","3976.4","0.5","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N,N'-Bis(9-(4-methoxyphenyl)-9H-xanthen-9-yl)ethane-1,2-diamine","","- C50 H46 N2 O4 -","- C50 H46 N2 O4 -","- C200 H184 N8 O16 -","4","1","","Barton, Benita; Adam, Muhammad-Ameen; Hosten, Eric C.","The host potential of N,N′-bis(9-(4-methoxyphenyl)-9H-xanthen-9-yl)ethane-1,2-diamine for xylene and ethylbenzene isomers, and its selectivity behaviour in mixed guest solutions","CrystEngComm","2026","28","20","3188","3199","10.1039/D6CE00160B","","","0.71073","MoKα","","0.0978","0.076","","","0.1356","0.1435","","","","","","1.208","","","","has coordinates,has disorder","306205","2026-06-04","11:59:10",""
"7252075","18.206","0.003","10.4572","0.0014","21.564","0.003","90","","109.528","0.005","90","","3869.3","1","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N,N'-Bis(9-(4-methoxyphenyl)-9H-xanthen-9-yl)ethane-1,2-diamine","","- C50 H46 N2 O4 -","- C50 H46 N2 O4 -","- C200 H184 N8 O16 -","4","1","","Barton, Benita; Adam, Muhammad-Ameen; Hosten, Eric C.","The host potential of N,N′-bis(9-(4-methoxyphenyl)-9H-xanthen-9-yl)ethane-1,2-diamine for xylene and ethylbenzene isomers, and its selectivity behaviour in mixed guest solutions","CrystEngComm","2026","28","20","3188","3199","10.1039/D6CE00160B","","","0.71073","MoKα","","0.1486","0.1031","","","0.1802","0.1993","","","","","","1.113","","","","has coordinates","306205","2026-06-04","11:59:10",""
"7252076","10.216","0.004","11.925","0.003","21.876","0.006","104.612","0.012","95.67","0.011","96.483","0.008","2539.8","1.4","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C53 H58 Cl2 Mn3 N4 O10 -","- C53 H58 Cl2 Mn3 N4 O10 -","- C106 H116 Cl4 Mn6 N8 O20 -","2","1","","Shutilov, Ilia D.; Volodin, Pavel A.; Frantsuzova, Lyubov V.; Gubaidullin, Aidar T.; Ovsyannikov, Alexander S.; Solovieva, Svetlana E.; Antipin, Igor S.","Coordination pyramid inversion, angular cluster core and homochiral single-stranded helix formation in polynuclear Mn(ii) assemblies supported by a bicompartmental salen-type ligand based on an o-xylylenediamine platform","CrystEngComm","2026","28","20","3232","3240","10.1039/D6CE00172F","","x-ray","0.71073","MoKα","","0.1024","0.0643","","","0.1667","0.1898","","","","","","1.028","","","","has coordinates,has disorder","306206","2026-06-04","11:59:22",""
"7252077","13.2446","0.0012","13.5462","0.0011","14.0213","0.0012","90","","93.617","0.003","90","","2510.6","0.4","100","2","100","2","","","","","","","MeOH","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H26 Cl2 Mn2 N2 O5 -","- C25 H26 Cl2 Mn2 N2 O5 -","- C100 H104 Cl8 Mn8 N8 O20 -","4","1","","Shutilov, Ilia D.; Volodin, Pavel A.; Frantsuzova, Lyubov V.; Gubaidullin, Aidar T.; Ovsyannikov, Alexander S.; Solovieva, Svetlana E.; Antipin, Igor S.","Coordination pyramid inversion, angular cluster core and homochiral single-stranded helix formation in polynuclear Mn(ii) assemblies supported by a bicompartmental salen-type ligand based on an o-xylylenediamine platform","CrystEngComm","2026","28","20","3232","3240","10.1039/D6CE00172F","","","0.71073","MoKα","","0.0348","0.0296","","","0.0743","0.0771","","","","","","1.056","","","","has coordinates","306206","2026-06-04","11:59:22",""
"7252078","10.1012","0.0008","10.1012","0.0008","36.873","0.007","90","","90","","90","","3762.3","0.8","294","","294","","","","","","","","","6","P 41","P 4w","76","","","","- C31 H39 Cl6 Mn2 N3 O4 -","- C31 H39 Cl6 Mn2 N3 O4 -","- C124 H156 Cl24 Mn8 N12 O16 -","4","1","","Shutilov, Ilia D.; Volodin, Pavel A.; Frantsuzova, Lyubov V.; Gubaidullin, Aidar T.; Ovsyannikov, Alexander S.; Solovieva, Svetlana E.; Antipin, Igor S.","Coordination pyramid inversion, angular cluster core and homochiral single-stranded helix formation in polynuclear Mn(ii) assemblies supported by a bicompartmental salen-type ligand based on an o-xylylenediamine platform","CrystEngComm","2026","28","20","3232","3240","10.1039/D6CE00172F","","","0.71073","MoKα","","0.0611","0.0517","","","0.1454","0.1557","","","","","","1.029","","","","has coordinates,has disorder","306206","2026-06-04","11:59:22",""
"7252079","20.2865","0.0005","4.8114","0.0001","9.8103","0.0002","90","","102.994","0.002","90","","933.03","0.04","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H13 N O2 -","- C10 H13 N O2 -","- C40 H52 N4 O8 -","4","1","","Schultheis, Axel; Merz, Klaus; Tenberg, Vico; Lorenz, Heike","Solid–liquid equilibria in the aqueous chiral homophenylalanine system and solid-state characterisation of the racemic species","CrystEngComm","2026","28","18","2937","2946","10.1039/D6CE00109B","","","1.54184","CuKα","","0.0461","0.0425","","","0.1197","0.1233","","","","","","1.048","","","","has coordinates","306207","2026-06-04","11:59:38",""
"7252080","5.4103","0.0001","9.072","0.0002","19.9535","0.0005","78.241","0.002","84.522","0.002","86.777","0.002","953.75","0.04","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C12 H10.5 N O2 -","- C12 H10.5 N O2 -","- C48 H42 N4 O8 -","4","4","","Schultheis, Axel; Merz, Klaus; Tenberg, Vico; Lorenz, Heike","Solid–liquid equilibria in the aqueous chiral homophenylalanine system and solid-state characterisation of the racemic species","CrystEngComm","2026","28","18","2937","2946","10.1039/D6CE00109B","","","1.54184","CuKα","","0.0703","0.0656","","","0.177","0.1866","","","","","","0.999","","","","has coordinates","306207","2026-06-04","11:59:38",""
"7252081","8.7434","0.0004","10.8237","0.0005","25.1996","0.0011","84.465","0.004","80.705","0.004","71.166","0.004","2224.96","0.18","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C102 H102 N12 O20 S4 -","- C102 H102 N12 O20 S4 -","- C102 H102 N12 O20 S4 -","1","0.5","","Hutagaol, Timothy Joseph; Zhou, Jianmin; Liu, Ziyi; Gao, Zhenguo; Gong, Junbo","Solvent-free modafinil acid cocrystallization through a green melt-based approach","CrystEngComm","2026","28","21","3375","3386","10.1039/D6CE00119J","","x-ray","1.54184","CuKα","","0.1271","0.1076","","","0.2696","0.2821","","","","","","1.116","","","","has coordinates,has disorder","306208","2026-06-04","11:59:51",""
"7252082","13.1327","0.0005","15.7996","0.0006","27.3097","0.001","90","","98.928","0.004","90","","5597.9","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H24 Cl6 In N6 -","- C21 H24 Cl6 In N6 -","- C168 H192 Cl48 In8 N48 -","8","2","","Feng, Xue-Jian; Hao, Jing-Xuan; Wang, Meng-Qi; Pan, Xin-Xin; Zhang, Meng-Yuan; Hao, Hao-Yu; Guo, Dian-Hao; Zhang, Qi; Wu, Yue","Doping concentration-dependent structural evolution and blue shift in indium-based organic–inorganic halide hybrids","CrystEngComm","2026","","","","","10.1039/D6CE00328A","","","0.71073","MoKα","","0.0644","0.0422","","","0.0801","0.0884","","","","","","1.047","","","","has coordinates","306220","2026-06-04","23:06:38",""
"7252083","13.0041","0.0015","15.6828","0.0017","27.062","0.003","90","","99.008","0.003","90","","5451","1.1","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C21 H24 Cl6 In N6 O0 Sb0 -","- C21 H24 Cl6 In N6 -","- C168 H192 Cl48 In8 N48 -","8","2","","Feng, Xue-Jian; Hao, Jing-Xuan; Wang, Meng-Qi; Pan, Xin-Xin; Zhang, Meng-Yuan; Hao, Hao-Yu; Guo, Dian-Hao; Zhang, Qi; Wu, Yue","Doping concentration-dependent structural evolution and blue shift in indium-based organic–inorganic halide hybrids","CrystEngComm","2026","","","","","10.1039/D6CE00328A","","","0.71073","MoKα","","0.0992","0.0556","","","0.1243","0.1416","","","","","","1.037","","","","has coordinates","306220","2026-06-04","23:06:38",""
"7252084","17.453","0.004","23.232","0.005","12.351","0.003","90","","92.07","0.03","90","","5005","2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C H Cl In N O Sb -","- C4.11765 H4.94118 Cl1.29412 In0.117647 N1.17647 O0.117647 Sb0.117647 -","- C140 H168 Cl44 In4 N40 O4 Sb4 -","34","8.5","","Feng, Xue-Jian; Hao, Jing-Xuan; Wang, Meng-Qi; Pan, Xin-Xin; Zhang, Meng-Yuan; Hao, Hao-Yu; Guo, Dian-Hao; Zhang, Qi; Wu, Yue","Doping concentration-dependent structural evolution and blue shift in indium-based organic–inorganic halide hybrids","CrystEngComm","2026","","","","","10.1039/D6CE00328A","","","0.71073","MoKα","","0.165","0.0758","","","0.2169","0.2936","","","","","","1.05","","","","has coordinates","306220","2026-06-04","23:06:38",""
"7252085","21.3691","0.0003","4.0847","0.0001","14.2396","0.0002","90","","109.475","0.002","90","","1171.81","0.04","100","0.2","100","0.2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C6 H6 Br2 Cl2 N4 Zn -","- C6 H6 Br2 Cl2 N4 Zn -","- C24 H24 Br8 Cl8 N16 Zn4 -","4","1","","Khlifi, Houyem; Ben Hamadi, Naoufel; Mhadhbi, Noureddine; Sánchez-Coronilla, Antonio; Hamden, Khaled; Guesmi, Ahlem; Khezami, Lotfi; Wahbi, Hajir; Naïli, Houcine","Structure–biological activity relationships in a zinc(ii) pyrazole halide complex [ZnCl2(η1-4BrPz)2] via noncovalent interactions, molecular docking, and antimicrobial studies","RSC Advances","2026","16","33","30614","30632","10.1039/D6RA01123C","","x-ray","0.71073","MoKα","","0.0263","0.0251","","","0.0621","0.0626","","","","","","1.038","","","","has coordinates","306232","2026-06-05","02:11:09",""
"7252086","8.8766","0.0002","9.0804","0.0002","14.7689","0.0003","73.291","0.002","75.659","0.002","63.147","0.002","1007.5","0.04","150","0.1","150","0.1","","","","","","","","3","P 1","P 1","1","","","","- C60 H40 O4 -","- C60 H40 O4 -","- C60 H40 O4 -","1","1","","Loleit, André; Eckhardt, Lars; Ströbele, Markus; Hiller, Jonas L.; Scheele, Marcus; Bettinger, Holger F.","Green circularly polarized luminescence with a high dissymmetry factor emitted by a [2.2]fluorenonophane.","Physical chemistry chemical physics : PCCP","2026","28","17","10462","10466","10.1039/d6cp00273k","","x-ray","1.54184","CuKα","","0.0143","0.0142","","","0.0377","0.0377","","","","","","1.3208","","","","has coordinates","306240","2026-06-05","09:46:47",""
"7252087","8.2605","0.0006","10.6797","0.0008","13.5264","0.001","106.147","0.002","93.965","0.002","102.238","0.002","1109.69","0.14","224","","224","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H18 N4 O6 Zn -","- C22 H18 N4 O6 Zn -","- C44 H36 N8 O12 Zn2 -","2","1","","Wang, Jinglu; Chen, Yutong; Tian, Danian; Li, Siyi; Cen, Peipei; Liu, Xiangyu","Zn(ii)-based metal-organic frameworks with tailored architectures: optimizing fluorescence performance for cell imaging and cancer therapy.","RSC advances","2026","16","28","25892","25901","10.1039/d6ra02099b","","","0.71073","MoKα","","0.0738","0.0546","","","0.1368","0.1483","","","","","","1.088","","","","has coordinates","306243","2026-06-05","15:14:08",""
"7252088","25.9395","0.0004","10.8613","0.0002","18.3","0.0003","90","","121.911","0.001","90","","4376.59","0.14","304","","304","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H18 N4 O6 Zn -","- C22 H18 N4 O6 Zn -","- C176 H144 N32 O48 Zn8 -","8","1","","Wang, Jinglu; Chen, Yutong; Tian, Danian; Li, Siyi; Cen, Peipei; Liu, Xiangyu","Zn(ii)-based metal-organic frameworks with tailored architectures: optimizing fluorescence performance for cell imaging and cancer therapy.","RSC advances","2026","16","28","25892","25901","10.1039/d6ra02099b","","","0.71073","MoKα","","0.0448","0.035","","","0.0867","0.0927","","","","","","1.071","","","","has coordinates","306243","2026-06-05","15:14:08",""
"7252089","18.716","0.004","11.78","0.003","23.874","0.006","90","","106.521","0.007","90","","5046","2","293","0.1","293","0.1","","","","","","","","3","C 1 2/c 1","-C 2yc","15","KS","","","- C30 H26 O9 -","- C30 H26 O9 -","- C240 H208 O72 -","8","1","","Király, Sándor Balázs; Buglyó, Balázs; Ooko, Otieno Michael; Bényei, Attila; Lisztes, Erika; Tóth, Balázs István; Bíró, Tamás; Borozsnyai, Kristóf; Oláh, Dávid; Vasvári, Gábor; Nemes, Dániel; Vecsernyés, Miklós; Fenyvesi, Ferenc; Kurtán, Tibor","Synthesis of condensed chiral pyranopyran derivatives with antiproliferative activity using domino Knoevenagel-IMHDA sequences.","RSC advances","2026","16","26","23585","23612","10.1039/d6ra02756c","","x-ray","0.71073","MoKα","","0.1657","0.1046","","","0.2347","0.2777","","","","","","1.095","","","","has coordinates","306244","2026-06-05","15:15:07",""
"7252090","12.3718","0.0006","10.9412","0.0005","18.5382","0.0008","90","","92.39","0.002","90","","2507.2","0.2","295","0.1","295","0.1","","","","","","","","3","P 1 n 1","P -2yac","7","Kurtan KS-534","","","- C30 H26 O9 -","- C30 H26 O9 -","- C120 H104 O36 -","4","2","","Király, Sándor Balázs; Buglyó, Balázs; Ooko, Otieno Michael; Bényei, Attila; Lisztes, Erika; Tóth, Balázs István; Bíró, Tamás; Borozsnyai, Kristóf; Oláh, Dávid; Vasvári, Gábor; Nemes, Dániel; Vecsernyés, Miklós; Fenyvesi, Ferenc; Kurtán, Tibor","Synthesis of condensed chiral pyranopyran derivatives with antiproliferative activity using domino Knoevenagel-IMHDA sequences.","RSC advances","2026","16","26","23585","23612","10.1039/d6ra02756c","","x-ray","0.71073","MoKα","","0.1202","0.0737","","","0.1551","0.216","","","","","","1.558","","","","has coordinates","306244","2026-06-05","15:15:07",""
"7252091","12.4841","0.0004","19.6198","0.0005","23.1211","0.0007","90","","98.004","0.002","90","","5608","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C55 H71 B2 F4 N5 O4 -","- C55 H71 B2 F4 N5 O4 -","- C220 H284 B8 F16 N20 O16 -","4","1","","Polishchuk, Vladyslav; Shishkina, Svitlana; Shandura, Mykola","1,3,2-Dioxaborine-based mero-polyanionic dyes: high-extinction NIR-absorbing polymethines.","RSC advances","2026","16","31","28634","28642","10.1039/d6ra03597c","","","0.71073","MoKα","","0.0903","0.0566","","","0.1361","0.1619","","","","","","1.04","","","","has coordinates","306245","2026-06-05","15:15:59",""
"7252092","17.7626","0.0012","9.5986","0.0005","24.9869","0.0015","90","","98.1","0.005","90","","4217.7","0.4","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H58 B2 F4 N4 O4 -","- C42 H58 B2 F4 N4 O4 -","- C168 H232 B8 F16 N16 O16 -","4","1","","Polishchuk, Vladyslav; Shishkina, Svitlana; Shandura, Mykola","1,3,2-Dioxaborine-based mero-polyanionic dyes: high-extinction NIR-absorbing polymethines.","RSC advances","2026","16","31","28634","28642","10.1039/d6ra03597c","","","0.71073","MoKα","","0.2536","0.0979","","","0.1362","0.1846","","","","","","1.008","","","","has coordinates","306245","2026-06-05","15:15:59",""
"7252093","11.6218","0.0008","10.7919","0.0007","8.7804","0.0006","90","","99.008","0.003","90","","1087.67","0.13","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9.7 H14.4 N5 O3.3 -","- C9.7 H14.4 N5 O3.3 -","- C38.8 H57.6 N20 O13.2 -","4","1","","Meng, Jiantao; Su, Yahui; Zhu, Hang; Chen, Wenrui; Chen, An; Su, Yuan; Cai, Ting","Continuous Control of Thermal Responses in Dynamic Crystals via Solid Solution Engineering","CrystEngComm","2026","","","","","10.1039/D6CE00302H","","","0.71073","MoKα","","0.1021","0.0791","","","0.1821","0.1963","","","","","","1.128","","","","has coordinates,has disorder","306535","2026-06-10","00:28:18",""
"7252094","4.3553","0.0003","10.7903","0.0007","11.6008","0.0009","90","","98.684","0.002","90","","538.93","0.07","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H13 N5 O4 -","- C9 H13 N5 O4 -","- C18 H26 N10 O8 -","2","1","","Meng, Jiantao; Su, Yahui; Zhu, Hang; Chen, Wenrui; Chen, An; Su, Yuan; Cai, Ting","Continuous Control of Thermal Responses in Dynamic Crystals via Solid Solution Engineering","CrystEngComm","2026","","","","","10.1039/D6CE00302H","","","0.71073","MoKα","","0.0917","0.0667","","","0.1605","0.1798","","","","","","1.08","","","","has coordinates,has disorder","306535","2026-06-10","00:28:18",""
"7252095","13.641","0.0005","11.0691","0.0004","23.4349","0.0009","90","","93.007","0.002","90","","3533.6","0.2","490","2","490","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H46 N15 O9 -","- C30 H46 N15 O9 -","- C120 H184 N60 O36 -","4","1","","Meng, Jiantao; Su, Yahui; Zhu, Hang; Chen, Wenrui; Chen, An; Su, Yuan; Cai, Ting","Continuous Control of Thermal Responses in Dynamic Crystals via Solid Solution Engineering","CrystEngComm","2026","","","","","10.1039/D6CE00302H","","","1.54178","CuKα","","0.1156","0.0874","","","0.2672","0.3027","","","","","","1.053","","","","has coordinates","306535","2026-06-10","00:28:18",""
"7252096","11.7938","0.0003","10.9225","0.0003","8.9572","0.0003","90","","99.877","0.002","90","","1136.74","0.06","400","2","400","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H15 N5 O3 -","- C10 H15 N5 O3 -","- C40 H60 N20 O12 -","4","1","","Meng, Jiantao; Su, Yahui; Zhu, Hang; Chen, Wenrui; Chen, An; Su, Yuan; Cai, Ting","Continuous Control of Thermal Responses in Dynamic Crystals via Solid Solution Engineering","CrystEngComm","2026","","","","","10.1039/D6CE00302H","","","1.54178","CuKα","","0.0747","0.0645","","","0.1897","0.2006","","","","","","1.068","","","","has coordinates","306535","2026-06-10","00:28:18",""
"7252097","11.8369","0.0003","10.8946","0.0003","8.9309","0.0002","90","","99.883","0.001","90","","1134.62","0.05","380","2","380.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H15 N5 O3 -","- C10 H15 N5 O3 -","- C40 H60 N20 O12 -","4","1","","Meng, Jiantao; Su, Yahui; Zhu, Hang; Chen, Wenrui; Chen, An; Su, Yuan; Cai, Ting","Continuous Control of Thermal Responses in Dynamic Crystals via Solid Solution Engineering","CrystEngComm","2026","","","","","10.1039/D6CE00302H","","","1.54178","CuKα","","0.0488","0.047","","","0.1268","0.1282","","","","","","1.041","","","","has coordinates","306535","2026-06-10","00:28:18",""
"7252098","9.117","0.004","10.951","0.005","11.8","0.004","87.02","0.03","80.55","0.02","86.23","0.04","1158.6","0.8","420","2","420","2","","","","","","","","4","P -1","-P 1","2","","","","- C9.95 H14.9 N5 O3.05 -","- C9.95 H14.9 N5 O3.05 -","- C39.8 H59.6 N20 O12.2 -","4","2","","Meng, Jiantao; Su, Yahui; Zhu, Hang; Chen, Wenrui; Chen, An; Su, Yuan; Cai, Ting","Continuous Control of Thermal Responses in Dynamic Crystals via Solid Solution Engineering","CrystEngComm","2026","","","","","10.1039/D6CE00302H","","x-ray","1.54178","CuKα","","0.1248","0.1032","","","0.2742","0.2863","","","","","","1.065","","","","has coordinates,has disorder","306535","2026-06-10","00:28:18",""
"7252099","11.7031","0.0005","10.7835","0.0004","8.7394","0.0004","90","","99.188","0.002","90","","1088.76","0.08","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H15 N5 O3 -","- C10 H15 N5 O3 -","- C40 H60 N20 O12 -","4","1","","Meng, Jiantao; Su, Yahui; Zhu, Hang; Chen, Wenrui; Chen, An; Su, Yuan; Cai, Ting","Continuous Control of Thermal Responses in Dynamic Crystals via Solid Solution Engineering","CrystEngComm","2026","","","","","10.1039/D6CE00302H","","","0.71073","MoKα","","0.0862","0.0599","","","0.1432","0.1627","","","","","","1.036","","","","has coordinates","306535","2026-06-10","00:28:18",""
"7252100","25.184","0.0006","8.0686","0.0002","15.1437","0.0004","90","","90","","90","","3077.19","0.13","100.01","0.1","100.01","0.1","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C10 H30 Br10 N2 S2 Sb2 -","- C10 H30 Br10 N2 S2 Sb2 -","- C40 H120 Br40 N8 S8 Sb8 -","4","1","","Gong, Peng-Peng; Gu, Qian Jun; Li, Ya-Juan; Guo, Yi; Zhu, Wan-Yu; Huang, Bo","Non-linear optical-dielectric duple switch and narrow band gap in a one-dimensional hybrid compound: [(CH3)2S(CH2)3NH3][SbBr5]","CrystEngComm","2026","","","","","10.1039/D6CE00306K","","x-ray","0.71073","MoKα","","0.0276","0.0241","","","0.0448","0.0456","","","","","","1.006","","","","has coordinates","306537","2026-06-10","00:28:35",""
"7252101","12.7383","0.0006","8.1702","0.0004","15.2713","0.0008","90","","90","","90","","1589.35","0.14","303","2","303.15","","","","","","","","","6","P c m n","-P 2n 2ac","62","","","","- C10 H30 Br10 N2 S2 Sb2 -","- C10 H30 Br10 N2 S2 Sb2 -","- C20 H60 Br20 N4 S4 Sb4 -","2","0.25","","Gong, Peng-Peng; Gu, Qian Jun; Li, Ya-Juan; Guo, Yi; Zhu, Wan-Yu; Huang, Bo","Non-linear optical-dielectric duple switch and narrow band gap in a one-dimensional hybrid compound: [(CH3)2S(CH2)3NH3][SbBr5]","CrystEngComm","2026","","","","","10.1039/D6CE00306K","","","0.71073","MoKα","","0.0967","0.0442","","","0.0909","0.1052","","","","","","1.037","","","","has coordinates,has disorder","306537","2026-06-10","00:28:35",""
"7252102","6.1169","0.0001","14.9307","0.0002","16.7379","0.0003","90","","100.073","0.002","90","","1505.1","0.04","99.99","0.1","99.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 F O4 -","- C18 H17 F O4 -","- C72 H68 F4 O16 -","4","1","","Gerstenberger, Jan; Werbilo, Timm; Haas, Marvin; Serban, Simona; Basso, Alessandra; Domínguez de María, Pablo; Kara, Selin","Process-intensified enzymatic decarboxylation using immobilized arylmalonate decarboxylase for sustainable asymmetric synthesis of α-arylpropionic acids","Green Chemistry","2026","","","","","10.1039/D6GC02400A","","x-ray","1.54184","CuKα","","0.0395","0.0352","","","0.096","0.0982","","","","","","1.022","","","","has coordinates","306538","2026-06-10","01:20:36",""
"7252103","6.0978","0.0001","8.126","0.0002","30.3631","0.0006","90","","94.54","0.002","90","","1499.79","0.05","100","0.1","100","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C17 H18 O5 -","- C17 H18 O5 -","- C68 H72 O20 -","4","1","","Gerstenberger, Jan; Werbilo, Timm; Haas, Marvin; Serban, Simona; Basso, Alessandra; Domínguez de María, Pablo; Kara, Selin","Process-intensified enzymatic decarboxylation using immobilized arylmalonate decarboxylase for sustainable asymmetric synthesis of α-arylpropionic acids","Green Chemistry","2026","","","","","10.1039/D6GC02400A","","x-ray","1.54184","CuKα","","0.0423","0.0384","","","0.1053","0.1081","","","","","","1.071","","","","has coordinates","306538","2026-06-10","01:20:36",""
"7252104","13.4375","0.0003","7.2022","0.0002","18.0356","0.0005","90","","105.267","0.002","90","","1683.88","0.08","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","3α-acetyl-12α-phenylselenaethynyl-12β-hydroxyhecogenin","","- C37 H50 O5 Se -","- C37 H50 O5 Se -","- C74 H100 O10 Se2 -","2","1","","Jastrzebska, Izabella; Malinowska, Marta; Pawlak, Tomasz; Kamińska, Anna; Górecki, Marcin; Dolot, Rafał; Paluch, Piotr","A Novel Model System for Investigating Molecular Dynamics: Selenosteroids","Physical Chemistry Chemical Physics","2026","","","","","10.1039/D6CP00900J","","x-ray","1.54184","CuKα","","0.1033","0.0938","","","0.2113","0.218","","","","","","1.17","","","","has coordinates","306542","2026-06-10","02:51:38",""
"7252105","15.9668","0.0001","14.1741","0.0001","29.796","0.0002","90","","93.898","0.001","90","","6727.68","0.08","99.99","0.1","99.99","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","3α-acetyl-12β-phenylselenaethynyl-12α-hydroxyhecogenin","","- C37 H50 O5 Se -","- C37 H50 O5 Se -","- C296 H400 O40 Se8 -","8","4","","Jastrzebska, Izabella; Malinowska, Marta; Pawlak, Tomasz; Kamińska, Anna; Górecki, Marcin; Dolot, Rafał; Paluch, Piotr","A Novel Model System for Investigating Molecular Dynamics: Selenosteroids","Physical Chemistry Chemical Physics","2026","","","","","10.1039/D6CP00900J","","x-ray","1.54184","CuKα","","0.0815","0.0791","","","0.2093","0.2107","","","","","","1.092","","","","has coordinates","306542","2026-06-10","02:51:38",""
"7252106","6.6543","0.0002","7.396","0.0003","19.1733","0.0006","86.316","0.003","87.762","0.002","66.189","0.003","861.43","0.05","100","0.6","100","0.6","","","","","","","","4","P -1","-P 1","2","","","","- C15 H17 N7 O7 -","- C15 H17 N7 O7 -","- C30 H34 N14 O14 -","2","1","","Książkiewicz, Olga; Palusiak, Marcin; Kinart, Zdzisław; Wzgarda-Raj, Kinga","When Does Cytosine Dimerize? A Protonation Window for the Charge- and Resonance-Assisted [CytH+…Cyt] Synthon","Physical Chemistry Chemical Physics","2026","","","","","10.1039/D6CP00954A","","","1.54184","CuKα","","0.0435","0.0398","","","0.1111","0.1146","","","","","","1.023","","","","has coordinates","306543","2026-06-10","02:51:50",""
"7252107","8.3555","0.0002","9.9675","0.0002","10.8443","0.0002","93.2367","0.0017","95.2184","0.0019","99.8519","0.0019","883.75","0.03","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H14 N8 O9 -","- C15 H14 N8 O9 -","- C30 H28 N16 O18 -","2","1","","Książkiewicz, Olga; Palusiak, Marcin; Kinart, Zdzisław; Wzgarda-Raj, Kinga","When Does Cytosine Dimerize? A Protonation Window for the Charge- and Resonance-Assisted [CytH+…Cyt] Synthon","Physical Chemistry Chemical Physics","2026","","","","","10.1039/D6CP00954A","","x-ray","1.54184","CuKα","","0.0515","0.0493","","","0.1413","0.1441","","","","","","1.044","","","","has coordinates","306543","2026-06-10","02:51:50",""
"7252108","4.93124","0.00003","24.69141","0.00015","12.91178","0.00007","90","","91.8731","0.0005","90","","1571.29","0.016","99.9","0.6","99.9","0.6","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H15 N5 O10 -","- C11 H15 N5 O10 -","- C44 H60 N20 O40 -","4","1","","Książkiewicz, Olga; Palusiak, Marcin; Kinart, Zdzisław; Wzgarda-Raj, Kinga","When Does Cytosine Dimerize? A Protonation Window for the Charge- and Resonance-Assisted [CytH+…Cyt] Synthon","Physical Chemistry Chemical Physics","2026","","","","","10.1039/D6CP00954A","","x-ray","1.54184","CuKα","","0.0316","0.0306","","","0.0859","0.0869","","","","","","1.033","","","","has coordinates","306543","2026-06-10","02:51:50",""
"7252109","11.9024","0.0001","15.6693","0.0001","12.4012","0.0001","90","","90","","90","","2312.85","0.03","100","0.2","100","0.2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C11 H10 N4 O5 -","- C11 H10 N4 O5 -","- C88 H80 N32 O40 -","8","1","","Książkiewicz, Olga; Palusiak, Marcin; Kinart, Zdzisław; Wzgarda-Raj, Kinga","When Does Cytosine Dimerize? A Protonation Window for the Charge- and Resonance-Assisted [CytH+…Cyt] Synthon","Physical Chemistry Chemical Physics","2026","","","","","10.1039/D6CP00954A","","x-ray","1.54184","CuKα","","0.0366","0.0357","","","0.1017","0.1027","","","","","","1.101","","","","has coordinates","306543","2026-06-10","02:51:50",""
"7252110","18.2774","0.0004","3.89392","0.00008","17.2149","0.0004","90","","94.03","0.002","90","","1222.17","0.05","105.9","0.1","106.15","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C16 H8 Br2 -","- C16 H8 Br2 -","- C64 H32 Br8 -","4","0.5","","Bogner, Marcell M.; Sóvári, Bence; Kalapos, Péter P.; Mayer, Péter J.; Hegedűs, Márton; Turczel, Gábor; Kiss-Szemán, Anna J.; Harmat, Veronika; Kunfi, Attila; London, Gábor","Streamlined synthesis of functionalized dibenzo[a,e]pentalenes through potassium-mediated cyclization and late-stage thianthrenation","RSC Advances","2026","16","33","30958","30964","10.1039/D6RA03886G","","","1.54184","CuKα","","0.0387","0.037","","","0.0969","0.0983","","","","","","1.123","","","","has coordinates","306544","2026-06-10","03:14:44",""
"7252111","12.9337","0.0002","7.34533","0.00009","17.1434","0.0003","90","","111.946","0.002","90","","1510.64","0.05","105.88","0.1","105.88","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H25 Si -","- C17 H25 Si -","- C68 H100 Si4 -","4","1","","Bogner, Marcell M.; Sóvári, Bence; Kalapos, Péter P.; Mayer, Péter J.; Hegedűs, Márton; Turczel, Gábor; Kiss-Szemán, Anna J.; Harmat, Veronika; Kunfi, Attila; London, Gábor","Streamlined synthesis of functionalized dibenzo[a,e]pentalenes through potassium-mediated cyclization and late-stage thianthrenation","RSC Advances","2026","16","33","30958","30964","10.1039/D6RA03886G","","x-ray","1.54184","CuKα","","0.0493","0.044","","","0.1092","0.1134","","","","","","1.062","","","","has coordinates","306544","2026-06-10","03:14:44",""
"7252112","17.412","0.004","16.438","0.005","14.465","0.004","90","","93.558","0.009","90","","4132.2","1.9","293","0.1","293","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C76 H82 Mn2 N8 O30 S6 -","- C76 H82 Mn2 N8 O30 S6 -","- C152 H164 Mn4 N16 O60 S12 -","2","0.5","","Xu, Tao; Sun, Ao-Na; Liu, Rui-Han; Cai, Meng-Tan; Zhang, Si-Chen; Shao, Dong","A hydrogen-bonded manganese(II) complex assembled by bipyridyl-organodisulfonate ligands exhibiting ultrahigh superprotonic conductivity","CrystEngComm","2026","","","","","10.1039/D6CE00467A","","x-ray","0.71073","MoKα","","0.0718","0.0478","","","0.1205","0.1382","","","","","","1.034","","","","has coordinates,has disorder","306567","2026-06-15","22:43:54",""
"7252113","17.36","0.004","16.507","0.004","14.562","0.004","90","","94.912","0.008","90","","4157.6","1.8","373","0.1","373","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C76 H82 Mn2 N8 O30 S6 -","- C76 H82 Mn2 N8 O30 S6 -","- C152 H164 Mn4 N16 O60 S12 -","2","0.5","","Xu, Tao; Sun, Ao-Na; Liu, Rui-Han; Cai, Meng-Tan; Zhang, Si-Chen; Shao, Dong","A hydrogen-bonded manganese(II) complex assembled by bipyridyl-organodisulfonate ligands exhibiting ultrahigh superprotonic conductivity","CrystEngComm","2026","","","","","10.1039/D6CE00467A","","x-ray","0.71073","MoKα","","0.1161","0.0948","","","0.2303","0.2444","","","","","","1.063","","","","has coordinates,has disorder","306567","2026-06-15","22:43:54",""
"7252114","17.391","0.003","16.468","0.003","14.505","0.003","90","","93.998","0.005","90","","4144.1","1.3","333","0.1","333","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C76 H82 Mn2 N8 O30 S6 -","- C76 H82 Mn2 N8 O30 S6 -","- C152 H164 Mn4 N16 O60 S12 -","2","0.5","","Xu, Tao; Sun, Ao-Na; Liu, Rui-Han; Cai, Meng-Tan; Zhang, Si-Chen; Shao, Dong","A hydrogen-bonded manganese(II) complex assembled by bipyridyl-organodisulfonate ligands exhibiting ultrahigh superprotonic conductivity","CrystEngComm","2026","","","","","10.1039/D6CE00467A","","x-ray","0.71073","MoKα","","0.0956","0.0608","","","0.1522","0.174","","","","","","1.03","","","","has coordinates,has disorder","306567","2026-06-15","22:43:54",""
"7252115","11.8192","0.0005","23.217","0.001","17.7429","0.0008","90","","90.369","0.001","90","","4868.7","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H22 N6 O9 S5 -","- C18 H22 N6 O9 S5 -","- C144 H176 N48 O72 S40 -","8","2","","Hazarika, Abhinav; Singh, Abhay Pratap; Baruah, Jubaraj B.","Encapsulation of Cation in Sulphate and Anion in Methyl Sulphate Salt of Sulphathiazole","CrystEngComm","2026","","","","","10.1039/D6CE00087H","","","0.71073","MoKα","","0.0792","0.0574","","","0.1528","0.1769","","","","","","1.084","","","","has coordinates","306568","2026-06-15","22:44:03",""
"7252116","8.1758","0.0008","9.2396","0.0009","10.2619","0.001","100.173","0.001","93.697","0.001","105.524","0.001","730.05","0.12","297","2","297","","","","","","","","","5","P -1","-P 1","2","","","","- C10 H13 N3 O6 S3 -","- C10 H13 N3 O6 S3 -","- C20 H26 N6 O12 S6 -","2","1","","Hazarika, Abhinav; Singh, Abhay Pratap; Baruah, Jubaraj B.","Encapsulation of Cation in Sulphate and Anion in Methyl Sulphate Salt of Sulphathiazole","CrystEngComm","2026","","","","","10.1039/D6CE00087H","","","0.71073","MoKα","","0.0365","0.0335","","","0.0891","0.0925","","","","","","1.039","","","","has coordinates","306568","2026-06-15","22:44:03",""
"7252117","7.8658","0.0003","13.1568","0.0005","13.8695","0.0004","89.38","0.003","76.884","0.003","80.584","0.003","1378.54","0.09","95","0.2","95","","","","","","","","","3","P -1","-P 1","2","","","","- C32 H21 N10 -","- C32 H21 N10 -","- C64 H42 N20 -","2","1","","Čižmár, Erik; Holub, Mariia; Šoltésová, Daniela; Tkáč, Vladimír; Doležal, Petr; Kriegner, Dominik; Eigner, Václav; Dušek, Michal; Ziolkovskiy, Dmitry; Meisel, Mark W.; Feher, Alexander","Elucidation of the structural and magnetic properties of the anion-radical salt (Et-3,5-diMe-Pz)(TCNQ)2","Physical Chemistry Chemical Physics","2026","","","","","10.1039/D6CP00542J","","x-ray","1.54184","CuKα","","0.0469","0.04","","","0.1083","0.1118","","","","1.84","1.84","1.71","","","","has coordinates","306573","2026-06-16","01:04:14",""
"7252118","7.9282","0.0002","13.3615","0.0004","14.0733","0.0004","92.407","0.002","78.061","0.002","77.177","0.002","1416.15","0.07","250","0.1","250","","","","","","","","","3","P -1","-P 1","2","","","","- C32 H21 N10 -","- C32 H21 N10 -","- C64 H42 N20 -","2","1","","Čižmár, Erik; Holub, Mariia; Šoltésová, Daniela; Tkáč, Vladimír; Doležal, Petr; Kriegner, Dominik; Eigner, Václav; Dušek, Michal; Ziolkovskiy, Dmitry; Meisel, Mark W.; Feher, Alexander","Elucidation of the structural and magnetic properties of the anion-radical salt (Et-3,5-diMe-Pz)(TCNQ)2","Physical Chemistry Chemical Physics","2026","","","","","10.1039/D6CP00542J","","x-ray","1.54184","CuKα","","0.0578","0.0482","","","0.1301","0.1377","","","","1.94","1.94","1.81","","","","has coordinates,has disorder","306573","2026-06-16","01:04:14",""
"7252119","9.6397","0.0003","12.5697","0.0004","11.4557","0.0003","90","","109.182","0.003","90","","1311","0.07","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H36 N4 O10 -","- C24 H36 N4 O10 -","- C48 H72 N8 O20 -","2","0.5","","Lesnikov, Vladislav; Sukhorukov, Alexey Yu.","Cyclam(OH)₄ as an adaptable co-former for co-crystals with carboxylic acids and phenols","CrystEngComm","2026","","","","","10.1039/D6CE00350H","","x-ray","1.54184","CuKα","","0.0595","0.0485","","","0.1287","0.1362","","","","","","1.07","","","","has coordinates","306602","2026-06-19","22:59:56",""
"7252120","13.6783","0.0001","14.2858","0.0001","15.5814","0.0001","116.282","0.001","103.084","0.001","94.664","0.001","2600.99","0.04","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C24 H36 N4 O8 -","- C24 H36 N4 O8 -","- C96 H144 N16 O32 -","4","2","","Lesnikov, Vladislav; Sukhorukov, Alexey Yu.","Cyclam(OH)₄ as an adaptable co-former for co-crystals with carboxylic acids and phenols","CrystEngComm","2026","","","","","10.1039/D6CE00350H","","x-ray","1.54184","CuKα","","0.0413","0.0357","","","0.0903","0.096","","","","","","1.043","","","","has coordinates","306602","2026-06-19","22:59:56",""
"7252121","12.1736","0.0001","10.1404","0.0001","13.0357","0.0001","90","","114.092","0.001","90","","1469.02","0.02","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H42 N4 O10 -","- C28 H42 N4 O10 -","- C56 H84 N8 O20 -","2","0.5","","Lesnikov, Vladislav; Sukhorukov, Alexey Yu.","Cyclam(OH)₄ as an adaptable co-former for co-crystals with carboxylic acids and phenols","CrystEngComm","2026","","","","","10.1039/D6CE00350H","","x-ray","1.54184","CuKα","","0.0345","0.0339","","","0.086","0.0866","","","","","","1.051","","","","has coordinates","306602","2026-06-19","22:59:56",""
"7252122","16.7102","0.0001","7.731","0.0001","19.4987","0.0001","90","","90","","90","","2518.97","0.04","99.98","0.1","99.98","0.1","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C24 H38 N6 O8 -","- C24 H38 N6 O8 -","- C96 H152 N24 O32 -","4","0.5","","Lesnikov, Vladislav; Sukhorukov, Alexey Yu.","Cyclam(OH)₄ as an adaptable co-former for co-crystals with carboxylic acids and phenols","CrystEngComm","2026","","","","","10.1039/D6CE00350H","","x-ray","1.54184","CuKα","","0.0362","0.0348","","","0.0878","0.089","","","","","","1.047","","","","has coordinates","306602","2026-06-19","22:59:56",""
"7252123","9.4448","0.0005","11.4643","0.0006","12.7844","0.0008","91.618","0.005","90.121","0.004","110.951","0.005","1292.12","0.13","100.01","0.1","100.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C24 H36 N4 O8 -","- C24 H36 N4 O8 -","- C48 H72 N8 O16 -","2","1","","Lesnikov, Vladislav; Sukhorukov, Alexey Yu.","Cyclam(OH)₄ as an adaptable co-former for co-crystals with carboxylic acids and phenols","CrystEngComm","2026","","","","","10.1039/D6CE00350H","","x-ray","1.54184","CuKα","","0.0578","0.0546","","","0.157","0.1613","","","","","","1.056","","","","has coordinates","306602","2026-06-19","22:59:56",""
"7252124","14.3631","0.0002","12.0825","0.0001","15.1021","0.0002","90","","107.859","0.001","90","","2494.56","0.05","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H34 N6 O8 -","- C22 H34 N6 O8 -","- C88 H136 N24 O32 -","4","1","","Lesnikov, Vladislav; Sukhorukov, Alexey Yu.","Cyclam(OH)₄ as an adaptable co-former for co-crystals with carboxylic acids and phenols","CrystEngComm","2026","","","","","10.1039/D6CE00350H","","x-ray","1.54184","CuKα","","0.0488","0.0444","","","0.1278","0.1315","","","","","","1.084","","","","has coordinates","306602","2026-06-19","22:59:56",""
"7252125","9.0602","0.0001","8.7903","0.0001","20.6213","0.0002","90","","93.201","0.001","90","","1639.76","0.03","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H56 N4 O8 -","- C32 H56 N4 O8 -","- C64 H112 N8 O16 -","2","0.5","","Lesnikov, Vladislav; Sukhorukov, Alexey Yu.","Cyclam(OH)₄ as an adaptable co-former for co-crystals with carboxylic acids and phenols","CrystEngComm","2026","","","","","10.1039/D6CE00350H","","x-ray","1.54184","CuKα","","0.0441","0.041","","","0.1109","0.1137","","","","","","1.061","","","","has coordinates","306602","2026-06-19","22:59:56",""
"7252126","4.489","0.005","4.872","0.007","7.233","0.009","90","","90","","90","","158.2","0.3","265","2","265","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- H3 N O -","- H3 N O -","- H12 N4 O4 -","4","1","","Navasardyan, Mher A.; Chernyavskiy, Danila R.; Vener, Mikhail","Crystal structures of hydroxylamine and a 15-crown-5 hydroxylaminosolvate: first observation of a cyclic hydroxylamine dimer (NH₂OH)₂","CrystEngComm","2026","","","","","10.1039/D6CE00321D","","","0.71073","MoKα","","0.0309","0.0238","","","0.0528","0.0546","","","","","","0.9865","","","","has coordinates","306603","2026-06-19","23:00:29",""
"7252127","4.4755","0.0004","4.8703","0.0005","7.2514","0.0007","90","","90","","90","","158.06","0.03","250","2","250","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Aminol","Hydroxylamine","","- H3 N O -","- H3 N O -","- H12 N4 O4 -","4","1","","Navasardyan, Mher A.; Chernyavskiy, Danila R.; Vener, Mikhail","Crystal structures of hydroxylamine and a 15-crown-5 hydroxylaminosolvate: first observation of a cyclic hydroxylamine dimer (NH₂OH)₂","CrystEngComm","2026","","","","","10.1039/D6CE00321D","","","0.71073","MoKα","","0.0385","0.0313","","","0.0837","0.0863","","","","","","1.096","","","","has coordinates","306603","2026-06-19","23:00:29",""
"7252128","11.7376","0.0004","10.1973","0.0003","12.6543","0.0004","90","","104.207","0.001","90","","1468.29","0.08","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","hydroxylaminosolvate 15-crown-5","15-crown-5 hydroxylaminosolvate","","- C10 H26 N2 O7 -","- C10 H26 N2 O7 -","- C40 H104 N8 O28 -","4","1","","Navasardyan, Mher A.; Chernyavskiy, Danila R.; Vener, Mikhail","Crystal structures of hydroxylamine and a 15-crown-5 hydroxylaminosolvate: first observation of a cyclic hydroxylamine dimer (NH₂OH)₂","CrystEngComm","2026","","","","","10.1039/D6CE00321D","","","0.71073","MoKα","","0.0454","0.0356","","","0.088","0.0947","","","","","","1.025","","","","has coordinates","306603","2026-06-19","23:00:29",""
"7252129","4.4591","0.0009","4.8431","0.0011","7.2097","0.0016","90","","90","","90","","155.7","0.06","200","2","200","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Aminol","Hydroxylamine","","- H3 N O -","- H3 N O -","- H12 N4 O4 -","4","1","","Navasardyan, Mher A.; Chernyavskiy, Danila R.; Vener, Mikhail","Crystal structures of hydroxylamine and a 15-crown-5 hydroxylaminosolvate: first observation of a cyclic hydroxylamine dimer (NH₂OH)₂","CrystEngComm","2026","","","","","10.1039/D6CE00321D","","","0.71073","MoKα","","0.0384","0.0312","","","0.0831","0.0858","","","","","","1.091","","","","has coordinates","306603","2026-06-19","23:00:29",""
"7252130","4.4755","0.0004","4.8703","0.0005","7.2514","0.0007","90","","90","","90","","158.06","0.03","250","2","250","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- H3 N O -","- H3 N O -","- H12 N4 O4 -","4","1","","Navasardyan, Mher A.; Chernyavskiy, Danila R.; Vener, Mikhail","Crystal structures of hydroxylamine and a 15-crown-5 hydroxylaminosolvate: first observation of a cyclic hydroxylamine dimer (NH₂OH)₂","CrystEngComm","2026","","","","","10.1039/D6CE00321D","","","0.71073","MoKα","","0.0311","0.024","","","0.0531","0.0549","","","","","","0.9922","","","","has coordinates","306603","2026-06-19","23:00:29",""
"7252131","4.4417","0.0003","4.8184","0.0004","7.1745","0.0006","90","","90","","90","","153.55","0.02","100","2","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- H3 N O -","- H3 N O -","- H12 N4 O4 -","4","1","","Navasardyan, Mher A.; Chernyavskiy, Danila R.; Vener, Mikhail","Crystal structures of hydroxylamine and a 15-crown-5 hydroxylaminosolvate: first observation of a cyclic hydroxylamine dimer (NH₂OH)₂","CrystEngComm","2026","","","","","10.1039/D6CE00321D","","","0.71073","MoKα","","0.0194","0.0173","","","0.0396","0.0401","","","","","","1.0306","","","","has coordinates","306603","2026-06-19","23:00:29",""
"7252132","4.481","0.005","4.882","0.005","7.274","0.008","90","","90","","90","","159.1","0.3","270","2","270","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- H3 N O -","- H3 N O -","- H12 N4 O4 -","4","1","","Navasardyan, Mher A.; Chernyavskiy, Danila R.; Vener, Mikhail","Crystal structures of hydroxylamine and a 15-crown-5 hydroxylaminosolvate: first observation of a cyclic hydroxylamine dimer (NH₂OH)₂","CrystEngComm","2026","","","","","10.1039/D6CE00321D","","","0.71073","MoKα","","0.0312","0.0241","","","0.0535","0.0553","","","","","","0.9903","","","","has coordinates","306603","2026-06-19","23:00:29",""
"7252133","4.4417","0.0003","4.8184","0.0004","7.1745","0.0006","90","","90","","90","","153.55","0.02","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Aminol","Hydroxylamine","","- H3 N O -","- H3 N O -","- H12 N4 O4 -","4","1","","Navasardyan, Mher A.; Chernyavskiy, Danila R.; Vener, Mikhail","Crystal structures of hydroxylamine and a 15-crown-5 hydroxylaminosolvate: first observation of a cyclic hydroxylamine dimer (NH₂OH)₂","CrystEngComm","2026","","","","","10.1039/D6CE00321D","","","0.71073","MoKα","","0.0269","0.0249","","","0.0633","0.0639","","","","","","1.154","","","","has coordinates","306603","2026-06-19","23:00:29",""
"7252134","4.4508","0.0003","4.8299","0.0004","7.1955","0.0006","90","","90","","90","","154.68","0.02","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Aminol","Hydroxylamine","","- H3 N O -","- H3 N O -","- H12 N4 O4 -","4","1","","Navasardyan, Mher A.; Chernyavskiy, Danila R.; Vener, Mikhail","Crystal structures of hydroxylamine and a 15-crown-5 hydroxylaminosolvate: first observation of a cyclic hydroxylamine dimer (NH₂OH)₂","CrystEngComm","2026","","","","","10.1039/D6CE00321D","","","0.71073","MoKα","","0.0287","0.025","","","0.066","0.0677","","","","","","1.121","","","","has coordinates","306603","2026-06-19","23:00:29",""
"7252135","4.481","0.005","4.882","0.005","7.274","0.008","90","","90","","90","","159.1","0.3","270","2","270","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Aminol","Hydroxylamine","","- H3 N O -","- H3 N O -","- H12 N4 O4 -","4","1","","Navasardyan, Mher A.; Chernyavskiy, Danila R.; Vener, Mikhail","Crystal structures of hydroxylamine and a 15-crown-5 hydroxylaminosolvate: first observation of a cyclic hydroxylamine dimer (NH₂OH)₂","CrystEngComm","2026","","","","","10.1039/D6CE00321D","","","0.71073","MoKα","","0.0386","0.0314","","","0.084","0.0866","","","","","","1.097","","","","has coordinates","306603","2026-06-19","23:00:29",""
"7252136","4.489","0.005","4.872","0.007","7.233","0.009","90","","90","","90","","158.2","0.3","265","2","265","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Aminol","Hydroxylamine","","- H3 N O -","- H3 N O -","- H12 N4 O4 -","4","1","","Navasardyan, Mher A.; Chernyavskiy, Danila R.; Vener, Mikhail","Crystal structures of hydroxylamine and a 15-crown-5 hydroxylaminosolvate: first observation of a cyclic hydroxylamine dimer (NH₂OH)₂","CrystEngComm","2026","","","","","10.1039/D6CE00321D","","","0.71073","MoKα","","0.0382","0.031","","","0.0823","0.0848","","","","","","1.098","","","","has coordinates","306603","2026-06-19","23:00:29",""
"7252137","4.4508","0.0003","4.8299","0.0004","7.1955","0.0006","90","","90","","90","","154.68","0.02","150","2","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- H3 N O -","- H3 N O -","- H12 N4 O4 -","4","1","","Navasardyan, Mher A.; Chernyavskiy, Danila R.; Vener, Mikhail","Crystal structures of hydroxylamine and a 15-crown-5 hydroxylaminosolvate: first observation of a cyclic hydroxylamine dimer (NH₂OH)₂","CrystEngComm","2026","","","","","10.1039/D6CE00321D","","","0.71073","MoKα","","0.0217","0.018","","","0.0422","0.0433","","","","","","1.005","","","","has coordinates","306603","2026-06-19","23:00:29",""
"7252138","4.484","0.005","4.884","0.005","7.248","0.008","90","","90","","90","","158.7","0.3","275","2","275","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- H3 N O -","- H3 N O -","- H12 N4 O4 -","4","1","","Navasardyan, Mher A.; Chernyavskiy, Danila R.; Vener, Mikhail","Crystal structures of hydroxylamine and a 15-crown-5 hydroxylaminosolvate: first observation of a cyclic hydroxylamine dimer (NH₂OH)₂","CrystEngComm","2026","","","","","10.1039/D6CE00321D","","","0.71073","MoKα","","0.0311","0.024","","","0.0531","0.0549","","","","","","0.9955","","","","has coordinates","306603","2026-06-19","23:00:29",""
"7252139","4.484","0.005","4.884","0.005","7.248","0.008","90","","90","","90","","158.7","0.3","275","2","275","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Aminol","Hydroxylamine","","- H3 N O -","- H3 N O -","- H12 N4 O4 -","4","1","","Navasardyan, Mher A.; Chernyavskiy, Danila R.; Vener, Mikhail","Crystal structures of hydroxylamine and a 15-crown-5 hydroxylaminosolvate: first observation of a cyclic hydroxylamine dimer (NH₂OH)₂","CrystEngComm","2026","","","","","10.1039/D6CE00321D","","","0.71073","MoKα","","0.0385","0.0313","","","0.0835","0.0861","","","","","","1.097","","","","has coordinates","306603","2026-06-19","23:00:29",""
"7252140","11.7376","0.0004","10.1973","0.0003","12.6543","0.0004","90","","104.207","0.001","90","","1468.29","0.08","100","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H26 N2 O7 -","- C10 H26 N2 O7 -","- C40 H104 N8 O28 -","4","1","","Navasardyan, Mher A.; Chernyavskiy, Danila R.; Vener, Mikhail","Crystal structures of hydroxylamine and a 15-crown-5 hydroxylaminosolvate: first observation of a cyclic hydroxylamine dimer (NH₂OH)₂","CrystEngComm","2026","","","","","10.1039/D6CE00321D","","","0.71073","MoKα","","0.0343","0.025","","","0.0485","0.052","","","","","","1.0543","","","","has coordinates","306603","2026-06-19","23:00:29",""
"7252141","4.4591","0.0009","4.8431","0.0011","7.2097","0.0016","90","","90","","90","","155.7","0.06","200","2","200","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- H3 N O -","- H3 N O -","- H12 N4 O4 -","4","1","","Navasardyan, Mher A.; Chernyavskiy, Danila R.; Vener, Mikhail","Crystal structures of hydroxylamine and a 15-crown-5 hydroxylaminosolvate: first observation of a cyclic hydroxylamine dimer (NH₂OH)₂","CrystEngComm","2026","","","","","10.1039/D6CE00321D","","","0.71073","MoKα","","0.0309","0.0238","","","0.0526","0.0545","","","","","","0.9862","","","","has coordinates","306603","2026-06-19","23:00:29",""
"7252142","3.787","0.004","11.996","0.008","12.929","0.011","89.11","0.06","89.41","0.08","84.42","0.07","584.5","0.9","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H16 N8 Ni -","- C32 H16 N8 Ni -","- C32 H16 N8 Ni -","1","0.5","","Umeda, Ayane; Takahashi, Taro; Oyama, Ayaka; Horinouchi, Misaki; Sato, Tetsu; Akutagawa, Tomoyuki; Takahashi, Kiyonori; Matsuda, Masaki","Reversible molecular rearrangement of nickel phthalocyanine between α- and x-forms in a crystalline solid by chemical treatment","CrystEngComm","2026","","","","","10.1039/D6CE00329J","","x-ray","0.71073","MoKα","","0.4621","0.1818","","","0.3546","0.496","","","","","","0.984","","","","has coordinates","306609","2026-06-22","22:35:39",""
"7252143","14.758","0.002","4.709","0.0002","19.816","0.013","90","","121.774","0.015","90","","1170.7","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H16 N8 Ni -","- C32 H16 N8 Ni -","- C64 H32 N16 Ni2 -","2","0.5","","Umeda, Ayane; Takahashi, Taro; Oyama, Ayaka; Horinouchi, Misaki; Sato, Tetsu; Akutagawa, Tomoyuki; Takahashi, Kiyonori; Matsuda, Masaki","Reversible molecular rearrangement of nickel phthalocyanine between α- and x-forms in a crystalline solid by chemical treatment","CrystEngComm","2026","","","","","10.1039/D6CE00329J","","","0.71073","MoKα","","0.0531","0.0357","","","0.0799","0.0861","","","","","","1.049","","","","has coordinates","306609","2026-06-22","22:35:39",""
"7252144","6.2327","0.0003","8.7927","0.0004","22.0083","0.0009","90","","97.4612","0.0016","90","","1195.89","0.09","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H13 N3 O3 -","- C13 H13 N3 O3 -","- C52 H52 N12 O12 -","4","1","","Manin, Alex N.; Drozd, Ksenia V.; Boycov, Denis; Shakirova, Yana; Churakov, Andrei V.; Perlovich, German L.","Stoichiomorphic Transition by Sublimation: A Case Study of 4-Aminobenzoic Acid and Isonicotinamide Cocrystals","CrystEngComm","2026","","","","","10.1039/D6CE00395H","","","0.71073","MoKα","","0.049","0.038","","","0.0949","0.1008","","","","","","1.034","","","","has coordinates","306625","2026-06-23","22:59:31",""
"7252145","16.845","0.016","4.388","0.004","42.93","0.04","90","","90","","90","","3173","5","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","MPA-FII","","","- C17 H20 O6 -","- C17 H20 O6 -","- C136 H160 O48 -","8","2","","Veeraraghavulu, Tiruveedi; Mukundram, N. S.; Yarasi, Soujanya; Nechipadappu, Sunil Kumar; Balasubramanian, Sridhar","Structural Diversity and Stability of Mycophenolic Acid with Insights into Coformer induced Polymorphism and Solid-State Characterization","CrystEngComm","2026","","","","","10.1039/D6CE00311G","","","0.71073","MoKα","","0.1705","0.0667","","","0.1489","0.1977","","","","","","0.969","","","","has coordinates","306626","2026-06-23","22:59:41",""
"7252146","14.4926","0.0016","4.7943","0.0006","21.838","0.002","90","","90","","90","","1517.3","0.3","100","2","100","2","","","","","","","","3","P c a 21","P 2c -2ac","29","MPA-FIV","","","- C17 H20 O6 -","- C17 H20 O6 -","- C68 H80 O24 -","4","1","","Veeraraghavulu, Tiruveedi; Mukundram, N. S.; Yarasi, Soujanya; Nechipadappu, Sunil Kumar; Balasubramanian, Sridhar","Structural Diversity and Stability of Mycophenolic Acid with Insights into Coformer induced Polymorphism and Solid-State Characterization","CrystEngComm","2026","","","","","10.1039/D6CE00311G","","","0.71073","MoKα","","0.0311","0.0305","","","0.0786","0.0792","","","","","","1.048","","","","has coordinates","306626","2026-06-23","22:59:41",""
"7252147","8.896","0.0003","20.8341","0.0008","8.8698","0.0003","90","","93.4878","0.0019","90","","1640.89","0.1","294","2","294","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","MPA-FIII","","","- C17 H20 O6 -","- C17 H20 O6 -","- C68 H80 O24 -","4","1","","Veeraraghavulu, Tiruveedi; Mukundram, N. S.; Yarasi, Soujanya; Nechipadappu, Sunil Kumar; Balasubramanian, Sridhar","Structural Diversity and Stability of Mycophenolic Acid with Insights into Coformer induced Polymorphism and Solid-State Characterization","CrystEngComm","2026","","","","","10.1039/D6CE00311G","","","0.71073","MoKα","","0.1087","0.0533","","","0.1494","0.1818","","","","","","1.033","","","","has coordinates","306626","2026-06-23","22:59:41",""
"7252148","14.3403","0.0013","17.5388","0.0015","8.342","0.0008","90","","96.54","0.004","90","","2084.5","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","MPA-Na-H2O_SALT","","","- C17 H28 Na2 O11 -","- C17 H28 Na2 O11 -","- C68 H112 Na8 O44 -","4","1","","Veeraraghavulu, Tiruveedi; Mukundram, N. S.; Yarasi, Soujanya; Nechipadappu, Sunil Kumar; Balasubramanian, Sridhar","Structural Diversity and Stability of Mycophenolic Acid with Insights into Coformer induced Polymorphism and Solid-State Characterization","CrystEngComm","2026","","","","","10.1039/D6CE00311G","","","0.71073","MoKα","","0.0368","0.0307","","","0.0819","0.086","","","","","","1.052","","","","has coordinates","306626","2026-06-23","22:59:41",""
"7252149","14.905","0.002","12.2174","0.0014","10.4693","0.0013","90","","104.77","0.005","90","","1843.5","0.4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 F4 N2 O4 S -","- C18 H14 F4 N2 O4 S -","- C72 H56 F16 N8 O16 S4 -","4","1","","Chen, Yatian; Luo, Dengyun; Xing, Dong; Fu, Yufeng; Chen, Qiufang; Song, Qiao; Wang, Zhouyu","Iron photocatalysis unlocks ozone's power for ultrafast sulfide-to-sulfone oxidation in continuous flow","Green Chemistry","2026","","","","","10.1039/D6GC01807F","","x-ray","0.71073","MoKα","","0.0486","0.0427","","","0.1189","0.1238","","","","","","1.061","","","","has coordinates","306631","2026-06-23","23:57:47",""
"7252150","17.1359","0.0004","11.9187","0.0003","12.2407","0.0003","90","","97.907","0.0019","90","","2476.24","0.11","100.01","0.11","100.01","0.11","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C32 H34 N4 -","- C32 H34 N4 -","- C128 H136 N16 -","4","1","","Listkowski, Arkadiusz; Luboradzki, Roman; Gil, Michał; Gorski, Aleksander; Waluk, Jacek","A minor substituent modification leads to a large change in photophysics: 9,20-dialkyl-substituted porphycenes","Physical Chemistry Chemical Physics","2026","","","","","10.1039/D6CP01735E","","x-ray","1.54184","CuKα","","0.0494","0.0391","","","0.0949","0.1013","","","","","","1.0446","","","","has coordinates,has disorder","306647","2026-06-25","01:57:17",""
"7252151","12.52","0.0001","11.6852","0.0001","28.1395","0.0003","90","","99.5573","0.001","90","","4059.63","0.07","100","0.1","100","0.1","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C26 H26 N4 -","- C26 H26 N4 -","- C208 H208 N32 -","8","1","","Listkowski, Arkadiusz; Luboradzki, Roman; Gil, Michał; Gorski, Aleksander; Waluk, Jacek","A minor substituent modification leads to a large change in photophysics: 9,20-dialkyl-substituted porphycenes","Physical Chemistry Chemical Physics","2026","","","","","10.1039/D6CP01735E","","x-ray","1.54184","CuKα","","0.0375","0.0365","","","0.0914","0.0923","","","","","","1.0565","","","","has coordinates,has disorder","306647","2026-06-25","01:57:17",""
"7719770","18.116","0.001","13.1312","0.0008","16.5005","0.0011","90","","98.267","0.002","90","","3884.4","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C160 H142 F24 N28 O13 P8 Ru4 -","- C160 H142 F24 N28 O13 P8 Ru4 -","- C160 H142 F24 N28 O13 P8 Ru4 -","1","0.25","","Teixeira, Ricardo G.; Stenico, Lívia; Fontrodona, Xavier; Romero, Isabel; Starosta, Radosław; Moreno, Maria João; Tomaz, Ana Isabel; Gomes-da-Silva, Lígia C; Valente, Andreia","Lysosome-targeted Ru(II)-cyclopentadienyl organometallic anticancer complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","2","594","610","10.1039/d5dt01975c","","","0.71076","MoKα","","0.0793","0.0481","","","0.0801","0.091","","","","","","1.077","","","","has coordinates","304914","2026-03-05","12:51:31",""
"7719771","11.8493","0.0015","19.432","0.003","20.703","0.003","78.293","0.004","77.765","0.005","84.304","0.005","4553.9","1.1","130","2","130","2","","","","","","","","7","P -1","-P 1","2","","","","- C93.5 H105 F12 N14 O10.5 P4 Ru2 -","- C83 H84 F12 N14 O7 P4 Ru2 -","- C166 H168 F24 N28 O14 P8 Ru4 -","2","1","","Teixeira, Ricardo G.; Stenico, Lívia; Fontrodona, Xavier; Romero, Isabel; Starosta, Radosław; Moreno, Maria João; Tomaz, Ana Isabel; Gomes-da-Silva, Lígia C; Valente, Andreia","Lysosome-targeted Ru(II)-cyclopentadienyl organometallic anticancer complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","2","594","610","10.1039/d5dt01975c","","","0.71073","MoKα","","0.1359","0.1017","","","0.2391","0.2616","","","","","","1.054","","","","has coordinates","304914","2026-03-05","12:51:31",""
"7719772","11.8831","0.0007","19.9377","0.0011","20.9074","0.0012","70.752","0.002","85.908","0.002","88.956","0.002","4664.5","0.5","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C42 H43 Cl4 F6 N7 O5 P2 Ru -","- C42 H43 Cl4 F6 N7 O5 P2 Ru -","- C168 H172 Cl16 F24 N28 O20 P8 Ru4 -","4","2","","Teixeira, Ricardo G.; Stenico, Lívia; Fontrodona, Xavier; Romero, Isabel; Starosta, Radosław; Moreno, Maria João; Tomaz, Ana Isabel; Gomes-da-Silva, Lígia C; Valente, Andreia","Lysosome-targeted Ru(II)-cyclopentadienyl organometallic anticancer complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","2","594","610","10.1039/d5dt01975c","","","0.71073","MoKα","","0.1013","0.0715","","","0.1599","0.1781","","","","","","1.136","","","","has coordinates,has disorder","304914","2026-03-05","12:51:31",""
"7719964","11.9158","0.0003","10.0878","0.0002","16.8524","0.0004","90","","90","","90","","2025.73","0.08","100","","100","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C20 H14 B F6 N4 Tl -","- C20 H14 B F6 N4 Tl -","- C80 H56 B4 F24 N16 Tl4 -","4","0.5","","Noonikara Poyil, Anurag; Phan, Vo Quang Huy; Vanga, Mukundam; Boretskyi, Andrii; Mykhailiuk, Pavel K.; Dias, Rasika","Fluorinated B-phenylated scorpionates as tunable platforms for stabilizing thallium(I) and silver(I)-ethylene complexes","Dalton Transactions","2026","","","","","10.1039/D5DT02782A","","x-ray","0.71073","MoKα","K-L~3~","0.0221","0.0191","","","0.0385","0.0403","","","","","","1.052","","","","has coordinates","304021","2025-12-04","00:04:48",""
"7719965","9.5841","0.0007","22.8479","0.0018","13.5563","0.0011","90","","92.504","0.001","90","","2965.7","0.4","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H19 B F9 N6 Tl -","- C30 H19 B F9 N6 Tl -","- C120 H76 B4 F36 N24 Tl4 -","4","1","","Noonikara Poyil, Anurag; Phan, Vo Quang Huy; Vanga, Mukundam; Boretskyi, Andrii; Mykhailiuk, Pavel K.; Dias, Rasika","Fluorinated B-phenylated scorpionates as tunable platforms for stabilizing thallium(I) and silver(I)-ethylene complexes","Dalton Transactions","2026","","","","","10.1039/D5DT02782A","","","0.71073","MoKα","","0.0255","0.0219","","","0.0507","0.0523","","","","","","1.033","","","","has coordinates,has disorder","304021","2025-12-04","00:04:48",""
"7719966","11.4445","0.0004","14.4529","0.0005","15.6856","0.0006","88.495","0.002","74.164","0.002","67.788","0.002","2302.17","0.15","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C18 H14 B F10 N4 S2 Tl -","- C18 H14 B F10 N4 S2 Tl -","- C72 H56 B4 F40 N16 S8 Tl4 -","4","2","","Noonikara Poyil, Anurag; Phan, Vo Quang Huy; Vanga, Mukundam; Boretskyi, Andrii; Mykhailiuk, Pavel K.; Dias, Rasika","Fluorinated B-phenylated scorpionates as tunable platforms for stabilizing thallium(I) and silver(I)-ethylene complexes","Dalton Transactions","2026","","","","","10.1039/D5DT02782A","","x-ray","0.71073","MoKα","K-L~3~","0.0289","0.0248","","","0.0582","0.0597","","","","","","1.058","","","","has coordinates","304021","2025-12-04","00:04:48",""
"7719967","20.1677","0.0012","19.4767","0.0012","13.7339","0.0008","90","","96.574","0.001","90","","5359.2","0.6","99.98","","99.98","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C20.5 H19 Ag B Cl F10 N4 S2 -","- C20.5 H19 Ag B Cl F10 N4 S2 -","- C164 H152 Ag8 B8 Cl8 F80 N32 S16 -","8","2","","Noonikara Poyil, Anurag; Phan, Vo Quang Huy; Vanga, Mukundam; Boretskyi, Andrii; Mykhailiuk, Pavel K.; Dias, Rasika","Fluorinated B-phenylated scorpionates as tunable platforms for stabilizing thallium(I) and silver(I)-ethylene complexes","Dalton Transactions","2026","","","","","10.1039/D5DT02782A","","x-ray","0.71073","MoKα","","0.0291","0.0258","","","0.0635","0.0655","","","","","","1.031","","","","has coordinates,has disorder","304021","2025-12-04","00:04:48",""
"7719968","10.178","0.002","10.282","0.002","10.926","0.002","87.878","0.003","77.995","0.003","82.193","0.003","1108","0.4","99.99","","99.99","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H16 B F6 N2 Tl -","- C24 H16 B F6 N2 Tl -","- C48 H32 B2 F12 N4 Tl2 -","2","1","","Noonikara Poyil, Anurag; Phan, Vo Quang Huy; Vanga, Mukundam; Boretskyi, Andrii; Mykhailiuk, Pavel K.; Dias, Rasika","Fluorinated B-phenylated scorpionates as tunable platforms for stabilizing thallium(I) and silver(I)-ethylene complexes","Dalton Transactions","2026","","","","","10.1039/D5DT02782A","","x-ray","0.71073","MoKα","K-L~3~","0.0299","0.0253","","","0.0569","0.0587","","","","","","1.039","","","","has coordinates","304021","2025-12-04","00:04:48",""
"7719969","12.2646","0.0006","17.0628","0.0008","17.8516","0.0008","65.253","0.001","87.773","0.002","86.014","0.002","3384.3","0.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C22 H18 Ag B F6 N4 -","- C22 H18 Ag B F6 N4 -","- C132 H108 Ag6 B6 F36 N24 -","6","3","","Noonikara Poyil, Anurag; Phan, Vo Quang Huy; Vanga, Mukundam; Boretskyi, Andrii; Mykhailiuk, Pavel K.; Dias, Rasika","Fluorinated B-phenylated scorpionates as tunable platforms for stabilizing thallium(I) and silver(I)-ethylene complexes","Dalton Transactions","2026","","","","","10.1039/D5DT02782A","","","0.71073","MoKα","","0.0709","0.0448","","","0.0761","0.0858","","","","","","1.031","","","","has coordinates,has disorder","304021","2025-12-04","00:04:48",""
"7719970","15.9889","0.0012","16.2352","0.0013","10.0306","0.0008","90","","91.382","0.001","90","","2603","0.4","99.98","","99.98","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27 H22 Ag B Cl2 F6 N2 -","- C27 H22 Ag B Cl2 F6 N2 -","- C108 H88 Ag4 B4 Cl8 F24 N8 -","4","1","","Noonikara Poyil, Anurag; Phan, Vo Quang Huy; Vanga, Mukundam; Boretskyi, Andrii; Mykhailiuk, Pavel K.; Dias, Rasika","Fluorinated B-phenylated scorpionates as tunable platforms for stabilizing thallium(I) and silver(I)-ethylene complexes","Dalton Transactions","2026","","","","","10.1039/D5DT02782A","","x-ray","0.71073","MoKα","K-L~3~","0.022","0.0202","","","0.0489","0.0497","","","","","","1.032","","","","has coordinates","304021","2025-12-04","00:04:48",""
"7719972","38.767","0.008","9.041","0.002","18.57","0.004","90","","100.26","0.03","90","","6405","2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36.5 H30.5 As Cl1.5 O3 P Pd -","- C36.5 H30.5 As Cl1.5 O3 P Pd -","- C292 H244 As8 Cl12 O24 P8 Pd8 -","8","2","","Tonon, Giovanni; Rafaniello, Anna; Mauceri, Matteo; Demitri, Nicola; Scattolin, Thomas; Rizzolio, Flavio; Visentin, Fabiano","Palladium(0) and Juglone: a New Alliance in the Fight Against Ovarian Cancer","Dalton Transactions","2026","","","","","10.1039/D5DT01792K","","","0.62","Synchrotron","","0.1916","0.0832","","","0.2045","0.2656","","","","","","0.947","","","","has coordinates,has disorder","304040","2025-12-05","00:42:05",""
"7719973","22.85","0.005","18.79","0.004","27.065","0.005","90","","90","","90","","11620","4","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C33 H30 N O3 P Pd -","- C33 H30 N O3 P Pd -","- C528 H480 N16 O48 P16 Pd16 -","16","2","","Tonon, Giovanni; Rafaniello, Anna; Mauceri, Matteo; Demitri, Nicola; Scattolin, Thomas; Rizzolio, Flavio; Visentin, Fabiano","Palladium(0) and Juglone: a New Alliance in the Fight Against Ovarian Cancer","Dalton Transactions","2026","","","","","10.1039/D5DT01792K","","","0.62","Synchrotron","","0.078","0.046","","","0.1254","0.1479","","","","","","1.012","","","","has coordinates","304040","2025-12-05","00:42:05",""
"7719974","11.024","0.002","12.556","0.003","16.672","0.003","84.3","0.03","80.22","0.03","78.01","0.03","2219.6","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H36 Cl6 O4 P2 Pd -","- C48 H36 Cl6 O4 P2 Pd -","- C96 H72 Cl12 O8 P4 Pd2 -","2","1","","Tonon, Giovanni; Rafaniello, Anna; Mauceri, Matteo; Demitri, Nicola; Scattolin, Thomas; Rizzolio, Flavio; Visentin, Fabiano","Palladium(0) and Juglone: a New Alliance in the Fight Against Ovarian Cancer","Dalton Transactions","2026","","","","","10.1039/D5DT01792K","","","0.62","Synchrotron","","0.0315","0.0303","","","0.0794","0.0802","","","","","","1.047","","","","has coordinates,has disorder","304040","2025-12-05","00:42:05",""
"7719975","22.714","0.005","18.484","0.004","26.741","0.005","90","","90","","90","","11227","4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C33 H30 N O3 P Pd -","- C33 H30 N O3 P Pd -","- C528 H480 N16 O48 P16 Pd16 -","16","2","","Tonon, Giovanni; Rafaniello, Anna; Mauceri, Matteo; Demitri, Nicola; Scattolin, Thomas; Rizzolio, Flavio; Visentin, Fabiano","Palladium(0) and Juglone: a New Alliance in the Fight Against Ovarian Cancer","Dalton Transactions","2026","","","","","10.1039/D5DT01792K","","","0.62","Synchrotron","","0.0464","0.0367","","","0.0922","0.0986","","","","","","1.024","","","","has coordinates","304040","2025-12-05","00:42:05",""
"7719976","14.0383","0.0012","19.3462","0.0013","18.1476","0.0014","90","","111.899","0.002","90","","4573","0.6","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C47 H59 Cl2 F6 Ir O P2 -","- C47 H59 Cl2 F6 Ir O P2 -","- C188 H236 Cl8 F24 Ir4 O4 P8 -","4","1","","Talavera, Maria; Gómez, Antonio; Otero, Nicolás; Peña-Gallego, Ángeles; Bolaño, Sandra","Unprecedented 1,2-mesityl shift for the synthesis of iridafurans","Dalton Transactions","2026","","","","","10.1039/D5DT02755A","","","0.71073","MoKα","","0.0774","0.0503","","","0.1214","0.1375","","","","","","1.04","","","","has coordinates,has disorder","304041","2025-12-05","00:43:55",""
"7719977","12.3764","0.001","12.7856","0.0012","13.4518","0.0012","95.205","0.003","115.84","0.003","111.233","0.003","1705.5","0.3","298","","298","","","","","","","","","6","P -1","-P 1","2","","SNM_MKK_EXP30","","- C30 H30.8 Cl2 Cu N8 O8.4 -","- C30 H30.8 Cl2 Cu N8 O8.4 -","- C60 H61.6 Cl4 Cu2 N16 O16.8 -","2","1","","Kumawat, Manoj Kumar; Mathur, Shobhit; Rathnam, Sharan Shanmuga Vuppaladadium; Jangra, Jitender; Roy, Anindya; Maji, Somnath","Comprehensive Design, Synthesis of Methyl Substituted Benzimidazole-based Mononuclear Copper(II) Complexes and Evaluation of DNA Cleavage and ROS-induced Apoptosis","Dalton Transactions","2026","","","","","10.1039/D5DT02281A","","","0.71073","MoKα","","0.0503","0.0406","","","0.1118","0.1191","","","","","","1.028","","","","has coordinates,has disorder","304042","2025-12-05","00:45:59",""
"7719978","10.7413","0.0007","11.326","0.0007","30.914","0.002","90","","90","","90","","3760.9","0.4","298","","298","","","","","","","","","6","P n m a","-P 2ac 2n","62","","SNM_MKK_Exp_29","","- C34 H33 Cl2 Cu N9 O8 -","- C32 H30 Cl2 Cu N8 O8 -","- C128 H120 Cl8 Cu4 N32 O32 -","4","0.5","","Kumawat, Manoj Kumar; Mathur, Shobhit; Rathnam, Sharan Shanmuga Vuppaladadium; Jangra, Jitender; Roy, Anindya; Maji, Somnath","Comprehensive Design, Synthesis of Methyl Substituted Benzimidazole-based Mononuclear Copper(II) Complexes and Evaluation of DNA Cleavage and ROS-induced Apoptosis","Dalton Transactions","2026","","","","","10.1039/D5DT02281A","","","0.71073","MoKα","","0.1096","0.0654","","","0.1855","0.2205","","","","","","1.045","","","","has coordinates,has disorder","304042","2025-12-05","00:45:59",""
"7719979","10.3672","0.0009","11.7373","0.0012","13.862","0.0014","83.732","0.004","88.201","0.003","86.873","0.003","1673.6","0.3","273.15","","273.15","","","","","","","","","6","P -1","-P 1","2","","SNM_MKK_EXP34","","- C32 H27 Cl2 Cu N9 O8 -","- C32 H27 Cl2 Cu N9 O8 -","- C64 H54 Cl4 Cu2 N18 O16 -","2","1","","Kumawat, Manoj Kumar; Mathur, Shobhit; Rathnam, Sharan Shanmuga Vuppaladadium; Jangra, Jitender; Roy, Anindya; Maji, Somnath","Comprehensive Design, Synthesis of Methyl Substituted Benzimidazole-based Mononuclear Copper(II) Complexes and Evaluation of DNA Cleavage and ROS-induced Apoptosis","Dalton Transactions","2026","","","","","10.1039/D5DT02281A","","","0.71073","MoKα","","0.0859","0.0511","","","0.1245","0.1434","","","","","","1.016","","","","has coordinates","304042","2025-12-05","00:45:59",""
"7719980","8.2663","0.0007","20.2627","0.0018","10.2878","0.001","90","","93.252","0.003","90","","1720.4","0.3","172","","172","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H31 Cl2 Cu N7 O8 -","- C32 H31 Cl2 Cu N7 O8 -","- C64 H62 Cl4 Cu2 N14 O16 -","2","1","","Kumawat, Manoj Kumar; Mathur, Shobhit; Rathnam, Sharan Shanmuga Vuppaladadium; Jangra, Jitender; Roy, Anindya; Maji, Somnath","Comprehensive Design, Synthesis of Methyl Substituted Benzimidazole-based Mononuclear Copper(II) Complexes and Evaluation of DNA Cleavage and ROS-induced Apoptosis","Dalton Transactions","2026","","","","","10.1039/D5DT02281A","","","0.71073","MoKα","","0.0589","0.0495","","","0.1295","0.1371","","","","","","1.0251","","","","has coordinates,has disorder","304042","2025-12-05","00:45:59",""
"7719981","28.447","0.003","12.6282","0.0011","28.313","0.002","90","","90.361","0.005","90","","10170.8","1.6","193","2","193","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C72 H64 Cu8.5 N24 Na O50 P W11.5 -","- C72 H60 Cu8.578 N24 Na O50 P W11.422 -","- C288 H240 Cu34.312 N96 Na4 O200 P4 W45.688 -","4","0.5","","Wang, Quan Quan; Ren, Rong-Xian; Gong, Rui Jie; Zhao, Shao Da; Yan, Pinfang; Xu, Yan","Polyoxometalate-based Catalysts for Visible-Light Driven Hydrolytic Hydrogen Production: Coordinatively Unsaturated Cu-based Active Sites Enhance Performance","Dalton Transactions","2026","","","","","10.1039/D5DT02675J","","","0.71073","MoKα","","0.1118","0.0914","","","0.2568","0.2708","","","","","","1.055","","","","has coordinates,has disorder","304043","2025-12-05","00:54:11",""
"7719982","28.347","0.003","28.347","0.003","19.755","0.005","90","","90","","120","","13747","4","296","2","296","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C144 H162 Cu13 N54 O66 Si W11 -","- C144 H108 Cu13.0002 N54 O66 Si W10.9998 -","- C432 H324 Cu39.0006 N162 O198 Si3 W32.9994 -","3","0.166667","","Wang, Quan Quan; Ren, Rong-Xian; Gong, Rui Jie; Zhao, Shao Da; Yan, Pinfang; Xu, Yan","Polyoxometalate-based Catalysts for Visible-Light Driven Hydrolytic Hydrogen Production: Coordinatively Unsaturated Cu-based Active Sites Enhance Performance","Dalton Transactions","2026","","","","","10.1039/D5DT02675J","","","0.71073","MoKα","","0.0636","0.036","","","0.0795","0.0875","","","","","","1.035","","","","has coordinates","304043","2025-12-05","00:54:11",""
"7719983","22.677","0.003","22.677","0.003","18.449","0.004","90","","90","","90","","9487","3","100","2","100","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C55 H66 N2 O2 Sb -","- C55 H66 N2 O2 Sb -","- C440 H528 N16 O16 Sb8 -","8","1","","Baryshnikova, Svetlana V.; Shisterova, Polina; Arsenyev, Maxim V.; Meshcheryakova, Irina N.; Kolevatov, Dmitry S.; Yakushev, Ilya; Aysin, Rinat R.; Kocherova, Tatyana N.; Piskunov, Alexandr Vladimirovich","Antimony(V) complexes with a tetradentate ONNO redox-active ligands. Optical, electrochemical and photothermal properties","Dalton Transactions","2026","","","","","10.1039/D5DT02666K","","","0.75172","synchrotron","","0.0668","0.0424","","","0.0875","0.0961","","","","","","1.042","","","","has coordinates,has disorder","304063","2025-12-05","23:57:51",""
"7719984","10.3867","0.0014","28.242","0.002","18.778","0.001","90","","94.676","0.009","90","","5490","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C65.5 H77 N2 O2 Sb -","- C65.5 H77 N2 O2 Sb -","- C262 H308 N8 O8 Sb4 -","4","1","","Baryshnikova, Svetlana V.; Shisterova, Polina; Arsenyev, Maxim V.; Meshcheryakova, Irina N.; Kolevatov, Dmitry S.; Yakushev, Ilya; Aysin, Rinat R.; Kocherova, Tatyana N.; Piskunov, Alexandr Vladimirovich","Antimony(V) complexes with a tetradentate ONNO redox-active ligands. Optical, electrochemical and photothermal properties","Dalton Transactions","2026","","","","","10.1039/D5DT02666K","","","0.75172","synchrotron","","0.0413","0.0345","","","0.0911","0.0926","","","","","","1.036","","","","has coordinates,has disorder","304063","2025-12-05","23:57:51",""
"7719985","8.5398","0.0004","10.3318","0.0006","15.7479","0.0009","86.416","0.002","82.774","0.002","75.071","0.002","1331.24","0.13","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C57 H52 Mn2 N12 O S4 -","- C57 H52 Mn2 N12 O S4 -","- C57 H52 Mn2 N12 O S4 -","1","1","","Pilichos, Evangelos; Mayans, Julia; Escuer, Albert","Probing the need of a very low axial zero field splitting in MnII systems with slow relaxation of the magnetization","Dalton Transactions","2026","","","","","10.1039/D5DT02349A","","","0.71073","MoKα","","0.0769","0.0595","","","0.1637","0.1795","","","","","","1.051","","","","has coordinates","304064","2025-12-06","00:02:27",""
"7719986","18.502","0.0011","9.0264","0.0005","30.8068","0.0018","90","","93.298","0.002","90","","5136.4","0.5","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C105 H100 I8 Mn4 N16 O -","- C105 H100 I8 Mn4 N16 O -","- C210 H200 I16 Mn8 N32 O2 -","2","0.5","","Pilichos, Evangelos; Mayans, Julia; Escuer, Albert","Probing the need of a very low axial zero field splitting in MnII systems with slow relaxation of the magnetization","Dalton Transactions","2026","","","","","10.1039/D5DT02349A","","","0.71073","MoKα","","0.0601","0.036","","","0.0625","0.0674","","","","","","1.019","","","","has coordinates,has disorder","304064","2025-12-06","00:02:27",""
"7719987","16.7866","0.001","8.6559","0.0004","17.8003","0.0011","90","","98.624","0.002","90","","2557.2","0.2","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C55 H60 Cl4 Mn2 N8 O3 -","- C55 H60 Cl4 Mn2 N8 O3 -","- C110 H120 Cl8 Mn4 N16 O6 -","2","1","","Pilichos, Evangelos; Mayans, Julia; Escuer, Albert","Probing the need of a very low axial zero field splitting in MnII systems with slow relaxation of the magnetization","Dalton Transactions","2026","","","","","10.1039/D5DT02349A","","","0.71073","MoKα","","0.0538","0.0417","","","0.0978","0.1058","","","","","","1.063","","","","has coordinates","304064","2025-12-06","00:02:27",""
"7719988","7.4816","0.0007","8.1505","0.0007","13.3712","0.0011","73.602","0.003","85.395","0.003","83.015","0.003","775.48","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H17 Br2 Mn N3 -","- C14 H17 Br2 Mn N3 -","- C28 H34 Br4 Mn2 N6 -","2","1","","Pilichos, Evangelos; Mayans, Julia; Escuer, Albert","Probing the need of a very low axial zero field splitting in MnII systems with slow relaxation of the magnetization","Dalton Transactions","2026","","","","","10.1039/D5DT02349A","","","0.71073","MoKα","","0.0181","0.0166","","","0.0406","0.0415","","","","","","1.058","","","","has coordinates","304064","2025-12-06","00:02:27",""
"7719989","7.4659","0.0004","7.887","0.0004","13.229","0.0007","76.203","0.002","82.975","0.002","83.785","0.002","748.28","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H17 Cl2 Mn N3 -","- C14 H17 Cl2 Mn N3 -","- C28 H34 Cl4 Mn2 N6 -","2","1","","Pilichos, Evangelos; Mayans, Julia; Escuer, Albert","Probing the need of a very low axial zero field splitting in MnII systems with slow relaxation of the magnetization","Dalton Transactions","2026","","","","","10.1039/D5DT02349A","","","0.71073","MoKα","","0.0194","0.0191","","","0.0516","0.052","","","","","","1.065","","","","has coordinates","304064","2025-12-06","00:02:27",""
"7719990","15.5045","0.0011","8.2247","0.0007","12.8592","0.0011","90","","95.122","0.003","90","","1633.3","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H17 Mn N9 -","- C14 H17 Mn N9 -","- C56 H68 Mn4 N36 -","4","1","","Pilichos, Evangelos; Mayans, Julia; Escuer, Albert","Probing the need of a very low axial zero field splitting in MnII systems with slow relaxation of the magnetization","Dalton Transactions","2026","","","","","10.1039/D5DT02349A","","","0.71073","MoKα","","0.0483","0.033","","","0.0742","0.0889","","","","","","1.101","","","","has coordinates,has disorder","304064","2025-12-06","00:02:27",""
"7719991","13.1373","0.0004","13.3017","0.0004","16.1154","0.0005","105.89","0.001","91.806","0.001","112.976","0.001","2463.02","0.13","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C72 H144 N8 Na4 O24 P14 Pd2 -","- C72 H144 N8 Na4 O24 P14 Pd2 -","- C72 H144 N8 Na4 O24 P14 Pd2 -","1","0.5","","Pan, Fuxing; Tang, Yu; Deng, Minghao; Wang, Xinyue","[Pd2(η4-P7)2]4–: a Pd2 dimer sandwiched by two anionic nortricyclane-type polyphosphide","Dalton Transactions","2026","","","","","10.1039/D5DT02437D","","","0.71073","MoKα","","0.0368","0.0278","","","0.074","0.0817","","","","","","1.073","","","","has coordinates,has disorder","304135","2025-12-09","00:28:38",""
"7719993","7.438","0.0002","8.6512","0.0003","8.7348","0.0003","72.143","0.001","80.254","0.001","87.762","0.001","527.22","0.03","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C8 H7 N O9 Pr -","- C8 H7 N O9 Pr -","- C16 H14 N2 O18 Pr2 -","2","1","","Katuwana Arachchige, Ashanthi Kumari; Lottes, Brett; Unruh, Daniel K.; Greer, Samuel M.; Stein, Benjamin William; Carter, Korey Prescott","Combining Coordination and Chelation Moieties to Engineer a New Linker for Lanthanide Coordination Chemistry","Dalton Transactions","2026","","","","","10.1039/D5DT02620B","","x-ray","0.71073","MoKα","","0.0194","0.0173","","","0.0415","0.0421","","","","","","1.113","","","","has coordinates,has disorder","304137","2025-12-09","00:29:47",""
"7719994","6.1592","0.0003","8.7809","0.0005","14.7102","0.0007","76.981","0.002","81.424","0.002","72.924","0.002","738.01","0.07","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H9 Dy N2 O11 -","- C14 H9 Dy N2 O11 -","- C28 H18 Dy2 N4 O22 -","2","1","","Katuwana Arachchige, Ashanthi Kumari; Lottes, Brett; Unruh, Daniel K.; Greer, Samuel M.; Stein, Benjamin William; Carter, Korey Prescott","Combining Coordination and Chelation Moieties to Engineer a New Linker for Lanthanide Coordination Chemistry","Dalton Transactions","2026","","","","","10.1039/D5DT02620B","","","0.71073","MoKα","","0.0354","0.0306","","","0.0616","0.0642","","","","","","1.105","","","","has coordinates","304137","2025-12-09","00:29:47",""
"7719995","6.1792","0.0003","8.794","0.0005","14.8202","0.0007","76.894","0.002","81.634","0.002","72.212","0.002","744.33","0.07","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H9 Eu N2 O11 -","- C14 H9 Eu N2 O11 -","- C28 H18 Eu2 N4 O22 -","2","1","","Katuwana Arachchige, Ashanthi Kumari; Lottes, Brett; Unruh, Daniel K.; Greer, Samuel M.; Stein, Benjamin William; Carter, Korey Prescott","Combining Coordination and Chelation Moieties to Engineer a New Linker for Lanthanide Coordination Chemistry","Dalton Transactions","2026","","","","","10.1039/D5DT02620B","","x-ray","0.71073","MoKα","","0.033","0.0258","","","0.0516","0.0548","","","","","","1.065","","","","has coordinates","304137","2025-12-09","00:29:47",""
"7719996","7.4577","0.0005","8.6194","0.0005","8.6832","0.0005","72.126","0.002","80.223","0.002","87.674","0.002","523.47","0.06","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C8 H7 N Nd O9 -","- C8 H7 N Nd O9 -","- C16 H14 N2 Nd2 O18 -","2","1","","Katuwana Arachchige, Ashanthi Kumari; Lottes, Brett; Unruh, Daniel K.; Greer, Samuel M.; Stein, Benjamin William; Carter, Korey Prescott","Combining Coordination and Chelation Moieties to Engineer a New Linker for Lanthanide Coordination Chemistry","Dalton Transactions","2026","","","","","10.1039/D5DT02620B","","x-ray","0.71073","MoKα","","0.0433","0.0335","","","0.0631","0.0664","","","","","","1.067","","","","has coordinates","304137","2025-12-09","00:29:47",""
"7719997","6.1436","0.0003","8.7628","0.0004","14.6574","0.0006","77.041","0.001","81.399","0.001","73.263","0.002","733.35","0.06","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H9 Er N2 O11 -","- C14 H9 Er N2 O11 -","- C28 H18 Er2 N4 O22 -","2","1","","Katuwana Arachchige, Ashanthi Kumari; Lottes, Brett; Unruh, Daniel K.; Greer, Samuel M.; Stein, Benjamin William; Carter, Korey Prescott","Combining Coordination and Chelation Moieties to Engineer a New Linker for Lanthanide Coordination Chemistry","Dalton Transactions","2026","","","","","10.1039/D5DT02620B","","","0.71073","MoKα","","0.0214","0.019","","","0.0403","0.0414","","","","","","1.054","","","","has coordinates","304137","2025-12-09","00:29:47",""
"7719998","6.1766","0.0006","8.7797","0.0007","14.8046","0.0015","76.912","0.003","81.497","0.004","72.376","0.003","742.55","0.12","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H9 Gd N2 O11 -","- C14 H9 Gd N2 O11 -","- C28 H18 Gd2 N4 O22 -","2","1","","Katuwana Arachchige, Ashanthi Kumari; Lottes, Brett; Unruh, Daniel K.; Greer, Samuel M.; Stein, Benjamin William; Carter, Korey Prescott","Combining Coordination and Chelation Moieties to Engineer a New Linker for Lanthanide Coordination Chemistry","Dalton Transactions","2026","","","","","10.1039/D5DT02620B","","","0.71073","MoKα","","0.0316","0.0282","","","0.0537","0.0553","","","","","","1.077","","","","has coordinates","304137","2025-12-09","00:29:47",""
"7719999","13.961","0.003","16.166","0.003","19.464","0.004","90","","90","","90","","4392.9","1.5","110.15","","110.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H29 Br3 Ru2 -","- C20 H29 Br3 Ru2 -","- C160 H232 Br24 Ru16 -","8","1","","Tay, Boon Ying; Wang, Cun; Tan, Davin; Dighe, Shashikant U.; Stubbs, Ludger P.; Gholap, Sandeep Suryabhan; Huynh, Han Vinh","Dinuclear p-Cymene Ruthenium Hydrido Complexes as Active Catalysts for the Hydrogenation of Levulinic Acid to γ-Valerolactone with Formic Acid as the Hydrogen Source","Dalton Transactions","2026","","","","","10.1039/D5DT02040A","","","0.71073","MoKα","","0.042","0.0373","","","0.078","0.0805","","","","","","1.104","","","","has coordinates","304151","2025-12-10","00:18:43",""
"7720000","9.0447","0.0001","28.1677","0.0002","9.3132","0.0001","90","","90.348","0.001","90","","2372.67","0.04","100","0.3","100.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","NNNNiBr","","- C25 H29 Br2 N5 Ni -","- C25 H29 Br2 N5 Ni -","- C100 H116 Br8 N20 Ni4 -","4","1","","Mondal, Bijan; Mohanty, Aisa; Daw, Prosenjit","Dehydrogenation of Ammonia-Borane Employing an Air-stable, Phosphine-free Molecular Nickel Pincer Catalyst","Dalton Transactions","2026","","","","","10.1039/D5DT02924D","","x-ray","1.54184","CuKα","","0.025","0.0243","","","0.0658","0.0662","","","","","","1.059","","","","has coordinates,has disorder","304153","2025-12-10","00:20:36",""
"7720001","9.31157","0.00005","6.89229","0.00004","25.41149","0.00018","90","","92.3034","0.0006","90","","1629.54","0.017","300","0.1","300.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","NNNNiCl2","","- C16 H15 Cl2 N3 Ni O -","- C16 H15 Cl2 N3 Ni O -","- C64 H60 Cl8 N12 Ni4 O4 -","4","1","","Mondal, Bijan; Mohanty, Aisa; Daw, Prosenjit","Dehydrogenation of Ammonia-Borane Employing an Air-stable, Phosphine-free Molecular Nickel Pincer Catalyst","Dalton Transactions","2026","","","","","10.1039/D5DT02924D","","","1.54184","CuKα","","0.0249","0.0232","","","0.061","0.0621","","","","","","1.075","","","","has coordinates,has disorder","304153","2025-12-10","00:20:36",""
"7720002","11.1625","0.0001","12.3317","0.0001","15.6518","0.0002","90","","101.791","0.001","90","","2109.05","0.04","99.97","0.19","100.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","NNNiCl2_pyro","","- C11.5 H12.5 Cl N2.5 Ni0.5 -","- C11.5 H12.5 Cl N2.5 Ni0.5 -","- C92 H100 Cl8 N20 Ni4 -","8","1","","Mondal, Bijan; Mohanty, Aisa; Daw, Prosenjit","Dehydrogenation of Ammonia-Borane Employing an Air-stable, Phosphine-free Molecular Nickel Pincer Catalyst","Dalton Transactions","2026","","","","","10.1039/D5DT02924D","","","1.54184","CuKα","","0.0465","0.0433","","","0.1077","0.1095","","","","","","1.083","","","","has coordinates","304153","2025-12-10","00:20:36",""
"7720003","10.347","0.003","11.574","0.003","16.044","0.004","91.49","0.007","107.483","0.007","110.675","0.007","1695.7","0.8","150","","150","","","","","","","","","6","P -1","-P 1","2","","RM-SA-98-RE","","- C38 H118 Cu N6 O26 P4 -","- C38 H118 Cu N6 O26 P4 -","- C38 H118 Cu N6 O26 P4 -","1","0.5","","Chaudhary, Savi; Murugavel, Ramaswamy","Ligand-Mediated Modulation in Copper(II) Complexes for Four-Electron Oxygen Reduction in Neutral Medium","Dalton Transactions","2026","","","","","10.1039/D5DT01736J","","","0.71073","MoKα","","0.0982","0.0548","","","0.1155","0.1381","","","","","","1.02","","","","has coordinates","304170","2025-12-11","00:07:14",""
"7720004","8.8691","0.0006","24.7007","0.0015","31.117","0.003","90","","90","","90","","6816.9","0.9","150","0.1","150","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H54 Cu N2 O9 P2 -","- C22 H54 Cu N2 O9 P2 -","- C176 H432 Cu8 N16 O72 P16 -","8","2","","Chaudhary, Savi; Murugavel, Ramaswamy","Ligand-Mediated Modulation in Copper(II) Complexes for Four-Electron Oxygen Reduction in Neutral Medium","Dalton Transactions","2026","","","","","10.1039/D5DT01736J","","x-ray","0.71073","MoKα","","0.0877","0.0628","","","0.1452","0.1691","","","","","","1.032","","","","has coordinates","304170","2025-12-11","00:07:14",""
"7720005","10.12541","0.00006","13.0254","0.00009","13.97395","0.00011","117.407","0.0007","104.604","0.0006","95.7305","0.0005","1532.45","0.02","99.99","0.1","99.99","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C28 H26 Cl3 F3 O3 P2 Pd S -","- C28 H26 Cl3 F3 O3 P2 Pd S -","- C56 H52 Cl6 F6 O6 P4 Pd2 S2 -","2","1","","Blom, Burgert; Prince, Sharon; Roufosse, Basile; Brice, Thomas; Papaldo, Marco; Macharia, Lucy; Serala, Karabo; Mlaza, Vuyo; Medupe, Thato; Marschner, Christoph; Cleij, Thomas","Mono- and Bimetallic Homo- and Heterodinuclear Pd and Pt Complexes Bridged by Diphosphines: Synthesis, Characterisation and Cytotoxicity","Dalton Transactions","2026","","","","","10.1039/D5DT02044A","","x-ray","1.54184","CuKα","","0.0299","0.0297","","","0.0737","0.0739","","","","","","1.0352","","","","has coordinates","304171","2025-12-11","00:09:20",""
"7720006","14.0876","0.0001","15.3403","0.0001","19.8791","0.0002","90","","105.111","0.001","90","","4147.49","0.06","100","0.1","100","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C41.8 H39.6 Cl2.53 F3.06 O2.86 P3 Pd S0.95 -","- C41.47 H40 Cl2.526 F2.904 O3.05 P3 Pd S0.974 -","- C165.88 H160 Cl10.104 F11.616 O12.2 P12 Pd4 S3.896 -","4","1","","Blom, Burgert; Prince, Sharon; Roufosse, Basile; Brice, Thomas; Papaldo, Marco; Macharia, Lucy; Serala, Karabo; Mlaza, Vuyo; Medupe, Thato; Marschner, Christoph; Cleij, Thomas","Mono- and Bimetallic Homo- and Heterodinuclear Pd and Pt Complexes Bridged by Diphosphines: Synthesis, Characterisation and Cytotoxicity","Dalton Transactions","2026","","","","","10.1039/D5DT02044A","","x-ray","1.54184","CuKα","","0.0358","0.034","","","0.0824","0.0836","","","","","","1.036","","","","has coordinates,has disorder","304171","2025-12-11","00:09:20",""
"7720007","10.2907","0.0001","17.9374","0.0002","34.5299","0.0005","90","","97.988","0.001","90","","6311.98","0.13","99.99","0.1","99.99","0.1","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C65 H66 Cl3 F3 O3 P4 Pd Ru S -","- C65 H66 Cl3 F3 O3 P4 Pd Ru S -","- C260 H264 Cl12 F12 O12 P16 Pd4 Ru4 S4 -","4","1","","Blom, Burgert; Prince, Sharon; Roufosse, Basile; Brice, Thomas; Papaldo, Marco; Macharia, Lucy; Serala, Karabo; Mlaza, Vuyo; Medupe, Thato; Marschner, Christoph; Cleij, Thomas","Mono- and Bimetallic Homo- and Heterodinuclear Pd and Pt Complexes Bridged by Diphosphines: Synthesis, Characterisation and Cytotoxicity","Dalton Transactions","2026","","","","","10.1039/D5DT02044A","","x-ray","1.54184","CuKα","","0.0931","0.0881","","","0.2255","0.2292","","","","","","1.071","","","","has coordinates","304171","2025-12-11","00:09:20",""
"7720008","10.5373","0.0011","10.8063","0.0011","29.723","0.003","90","","90.486","0.004","90","","3384.4","0.6","100","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H38 Fe N5 O4 Se -","- C35 H38 Fe N5 O4 Se -","- C140 H152 Fe4 N20 O16 Se4 -","4","1","","Dey, Bijoy; Titis, Jan; Mehta, Sakshi; Mondal, Abhishake; Chandrasekhar, Vadapalli","Thermal Monomerization Unlocks 3/2↔5/2 Spin Crossover in a Kinetically Trapped High Spin Fe(III) Dimer","Dalton Transactions","2026","","","","","10.1039/D5DT02175H","","","0.71073","MoKα","","0.0927","0.075","","","0.1524","0.1598","","","","","","1.138","","","","has coordinates,has disorder","304181","2025-12-12","00:19:40",""
"7720009","11.0509","0.0006","11.3802","0.0006","19.4658","0.0007","73.82","0.004","74.571","0.004","63.611","0.005","2077.1","0.2","100","10","100","10","","","","","","","","6","P -1","-P 1","2","","","","- C39 H48 Fe2 N6 O7 Se2 -","- C39 H48 Fe2 N6 O7 Se2 -","- C78 H96 Fe4 N12 O14 Se4 -","2","1","","Dey, Bijoy; Titis, Jan; Mehta, Sakshi; Mondal, Abhishake; Chandrasekhar, Vadapalli","Thermal Monomerization Unlocks 3/2↔5/2 Spin Crossover in a Kinetically Trapped High Spin Fe(III) Dimer","Dalton Transactions","2026","","","","","10.1039/D5DT02175H","","x-ray","0.71073","MoKα","","0.0721","0.0459","","","0.1279","0.1415","","","","","","0.969","","","","has coordinates","304181","2025-12-12","00:19:40",""
"7720010","6.9874","0.0003","12.2254","0.0006","13.3032","0.0006","102.936","0.001","94.353","0.001","91.086","0.002","1103.62","0.09","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C18 H21 F6 Mn N3 O4 P -","- C18 H21 F6 Mn N3 O4 P -","- C36 H42 F12 Mn2 N6 O8 P2 -","2","1","","Paul, Bhaswati; Dabare, Kusalvin; Bocarsly, Joshua D.; Mills, L. Reginald","Crystallographic Evidence of a Trinuclear (salen)Manganese(IV/III/IV)-μ-Oxo Formed during Catalytic C(sp3)–H Oxidation Reactions","Dalton Transactions","2026","","","","","10.1039/D5DT02844B","","x-ray","0.71073","MoKα","","0.0647","0.0388","","","0.0838","0.0926","","","","","","1.012","","","","has coordinates","304182","2025-12-12","00:20:36",""
"7720011","18.8329","0.0002","30.9457","0.0004","14.1235","0.0002","90","","90","","90","","8231.14","0.18","100","","100","","","","","","","","","6","C 2 2 21","C 2c 2","20","","BP_5","","- C84 H118 Cl Mn2 N4 O9 -","- C84 H118 Cl Mn2 N4 O9 -","- C336 H472 Cl4 Mn8 N16 O36 -","4","0.5","","Paul, Bhaswati; Dabare, Kusalvin; Bocarsly, Joshua D.; Mills, L. Reginald","Crystallographic Evidence of a Trinuclear (salen)Manganese(IV/III/IV)-μ-Oxo Formed during Catalytic C(sp3)–H Oxidation Reactions","Dalton Transactions","2026","","","","","10.1039/D5DT02844B","","x-ray","1.54178","CuKα","","0.0621","0.0599","","","0.16","0.1617","","","","","","1.031","","","","has coordinates,has disorder","304182","2025-12-12","00:20:36",""
"7720012","11.7342","0.0003","14.6513","0.0004","15.2022","0.0004","64.452","0.002","75.527","0.002","87.51","0.002","2277.01","0.11","100","","100","","","","","","","","","6","P -1","-P 1","2","","Mn1_PhONa","","- C45 H60 F5 Mn N2 O5 -","- C45 H58 F5 Mn N2 O4 -","- C90 H116 F10 Mn2 N4 O8 -","2","1","","Paul, Bhaswati; Dabare, Kusalvin; Bocarsly, Joshua D.; Mills, L. Reginald","Crystallographic Evidence of a Trinuclear (salen)Manganese(IV/III/IV)-μ-Oxo Formed during Catalytic C(sp3)–H Oxidation Reactions","Dalton Transactions","2026","","","","","10.1039/D5DT02844B","","x-ray","1.54178","CuKα","","0.0535","0.044","","","0.1141","0.1204","","","","","","1.041","","","","has coordinates","304182","2025-12-12","00:20:36",""
"7720013","17.5632","0.0004","21.6143","0.0004","23.7547","0.0005","105.262","0.001","95.103","0.001","113.618","0.001","7775.8","0.3","100","","100","","","","","","","","","7","P -1","-P 1","2","","BP_Mn4_NaPz","","- C78 H102.5 F6 Mn2 N7.5 O5.5 P -","- C75 H97 F6 Mn2 N6 O5 P -","- C300 H388 F24 Mn8 N24 O20 P4 -","4","2","","Paul, Bhaswati; Dabare, Kusalvin; Bocarsly, Joshua D.; Mills, L. Reginald","Crystallographic Evidence of a Trinuclear (salen)Manganese(IV/III/IV)-μ-Oxo Formed during Catalytic C(sp3)–H Oxidation Reactions","Dalton Transactions","2026","","","","","10.1039/D5DT02844B","","x-ray","1.54178","CuKα","","0.101","0.0759","","","0.2048","0.2188","","","","","","1.046","","","","has coordinates,has disorder","304182","2025-12-12","00:20:36",""
"7720014","13.8836","0.0002","19.2316","0.0003","23.6564","0.0004","102.862","0.001","98.722","0.001","97.824","0.001","5991.32","0.17","100","","100","","","","","","","","","7","P -1","-P 1","2","","BP_Mn1_PhIO","","- C122 H161.5 F6 Mn3 N7.5 O11 P -","- C122 H161.5 F6 Mn3 N7.5 O11 P -","- C244 H323 F12 Mn6 N15 O22 P2 -","2","1","","Paul, Bhaswati; Dabare, Kusalvin; Bocarsly, Joshua D.; Mills, L. Reginald","Crystallographic Evidence of a Trinuclear (salen)Manganese(IV/III/IV)-μ-Oxo Formed during Catalytic C(sp3)–H Oxidation Reactions","Dalton Transactions","2026","","","","","10.1039/D5DT02844B","","x-ray","1.54178","CuKα","","0.0725","0.0649","","","0.1867","0.1942","","","","","","1.037","","","","has coordinates,has disorder","304182","2025-12-12","00:20:36",""
"7720015","13.983","0.0005","21.1145","0.0011","8.9586","0.0004","90","","90","","90","","2645","0.2","293","2","293","2","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C14 H22 Fe Li2 N18 O8 -","- C14 H22 Fe Li2 N18 O8 -","- C56 H88 Fe4 Li8 N72 O32 -","4","0.25","","Zhou, Jing-Yao; Zhang, Hong-Dong; Yin, Fan; Zhu, Zheng-Zhong; Zhou, Li-Peng; Tian, Chong-Bin; Sun, Qing-Fu","Locking the spin states of anionic Fe(L)<sub>2</sub> units in coordination polymers through alkali metal ion incorporation.","Dalton transactions (Cambridge, England : 2003)","2026","55","10","4319","4326","10.1039/d6dt00162a","","","1.54184","CuKα","","0.0392","0.0364","","","0.0976","0.0991","","","","","","1.071","","","","has coordinates","305366","2026-04-05","12:04:06",""
"7720016","13.5376","0.0006","8.0985","0.0004","21.7556","0.001","90","","90","","90","","2385.16","0.19","240","0.1","240.15","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C16 H14 Fe K2 N18 O2 -","- C16 H14 Fe K2 N18 O2 -","- C64 H56 Fe4 K8 N72 O8 -","4","0.5","","Zhou, Jing-Yao; Zhang, Hong-Dong; Yin, Fan; Zhu, Zheng-Zhong; Zhou, Li-Peng; Tian, Chong-Bin; Sun, Qing-Fu","Locking the spin states of anionic Fe(L)<sub>2</sub> units in coordination polymers through alkali metal ion incorporation.","Dalton transactions (Cambridge, England : 2003)","2026","55","10","4319","4326","10.1039/d6dt00162a","","","1.3405","GaKα","","0.0741","0.0569","","","0.1205","0.1278","","","","","","1.086","","","","has coordinates","305366","2026-04-05","12:04:06",""
"7720017","13.6942","0.0004","7.7375","0.0002","23.4883","0.0008","90","","90","","90","","2488.79","0.13","100.01","0.1","100.15","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C14 H18 Fe N18 Na2 O6 -","- C14 H18 Fe N18 Na2 O6 -","- C56 H72 Fe4 N72 Na8 O24 -","4","1","","Zhou, Jing-Yao; Zhang, Hong-Dong; Yin, Fan; Zhu, Zheng-Zhong; Zhou, Li-Peng; Tian, Chong-Bin; Sun, Qing-Fu","Locking the spin states of anionic Fe(L)<sub>2</sub> units in coordination polymers through alkali metal ion incorporation.","Dalton transactions (Cambridge, England : 2003)","2026","55","10","4319","4326","10.1039/d6dt00162a","","","0.71073","MoKα","","0.0377","0.0311","","","0.0763","0.0801","","","","","","1.043","","","","has coordinates","305366","2026-04-05","12:04:06",""
"7720018","9.8314","0.0004","13.3665","0.0006","18.6866","0.0009","90","","91.067","0.002","90","","2455.21","0.19","129","2","129","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H31 Cl4 N3 -","- C22 H31 Cl4 N3 -","- C88 H124 Cl16 N12 -","4","1","","Leksina, Uliana M.; Abramov, Vladimir A.; Matveev, Petr I.; Lemport, Pavel S.; Gopin, Alexander V.; Glushkov, Egor D.; Lyssenko, Konstantin A.; Trigub, Alexander L.; Petrov, Vladimir G.; Ustynyuk, Yuri A.; Nenajdenko, Valentine G.","Polysubstituted guanidine-based receptors for the selective extraction of pertechnetate anions from high-level waste.","Dalton transactions (Cambridge, England : 2003)","2026","55","11","4457","4471","10.1039/d6dt00057f","","","0.71073","MoKα","","0.0653","0.0503","","","0.1131","0.1228","","","","","","1.026","","","","has coordinates","305382","2026-04-05","12:10:26",""
"7720019","9.268","0.002","15.741","0.004","28.086","0.007","90","","97.41","0.007","90","","4063.2","1.7","104","2","104","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H26 N3 O4 Re -","- C19 H26 N3 O4 Re -","- C152 H208 N24 O32 Re8 -","8","2","","Leksina, Uliana M.; Abramov, Vladimir A.; Matveev, Petr I.; Lemport, Pavel S.; Gopin, Alexander V.; Glushkov, Egor D.; Lyssenko, Konstantin A.; Trigub, Alexander L.; Petrov, Vladimir G.; Ustynyuk, Yuri A.; Nenajdenko, Valentine G.","Polysubstituted guanidine-based receptors for the selective extraction of pertechnetate anions from high-level waste.","Dalton transactions (Cambridge, England : 2003)","2026","55","11","4457","4471","10.1039/d6dt00057f","","","0.71073","MoKα","","0.1104","0.0699","","","0.1252","0.1411","","","","","","1.094","","","","has coordinates,has disorder","305382","2026-04-05","12:10:26",""
"7720020","8.0266","0.0015","28.876","0.005","17.378","0.003","90","","93.2","0.005","90","","4021.5","1.2","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H26 Cl N3 O4 -","- C19 H26 Cl N3 O4 -","- C152 H208 Cl8 N24 O32 -","8","2","","Leksina, Uliana M.; Abramov, Vladimir A.; Matveev, Petr I.; Lemport, Pavel S.; Gopin, Alexander V.; Glushkov, Egor D.; Lyssenko, Konstantin A.; Trigub, Alexander L.; Petrov, Vladimir G.; Ustynyuk, Yuri A.; Nenajdenko, Valentine G.","Polysubstituted guanidine-based receptors for the selective extraction of pertechnetate anions from high-level waste.","Dalton transactions (Cambridge, England : 2003)","2026","55","11","4457","4471","10.1039/d6dt00057f","","","0.71073","MoKα","","0.1499","0.0717","","","0.1492","0.1792","","","","","","1.006","","","","has coordinates,has disorder","305382","2026-04-05","12:10:26",""
"7720021","13.411","0.0016","13.5417","0.0017","16.3201","0.0019","105.781","0.003","105.39","0.003","105.55","0.004","2558.3","0.5","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H62 Cl6 N6 O8 Re2 -","- C40 H62 Cl6 N6 O8 Re2 -","- C80 H124 Cl12 N12 O16 Re4 -","2","1","","Leksina, Uliana M.; Abramov, Vladimir A.; Matveev, Petr I.; Lemport, Pavel S.; Gopin, Alexander V.; Glushkov, Egor D.; Lyssenko, Konstantin A.; Trigub, Alexander L.; Petrov, Vladimir G.; Ustynyuk, Yuri A.; Nenajdenko, Valentine G.","Polysubstituted guanidine-based receptors for the selective extraction of pertechnetate anions from high-level waste.","Dalton transactions (Cambridge, England : 2003)","2026","55","11","4457","4471","10.1039/d6dt00057f","","","","MoKα","","0.076","0.0613","","","0.1414","0.1481","","","","","","1.089","","","","has coordinates,has disorder","305382","2026-04-05","12:10:26",""
"7720022","19.7255","0.0005","25.5075","0.0006","21.138","0.0007","90","","90","","90","","10635.5","0.5","293","2","293","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C38.22 H53.78 K1.33 N2.67 O16 Ru2.67 Sb0.44 -","- C38.2222 H52 K1.33333 N2.66667 O16 Ru2.66667 Sb0.444444 -","- C344 H468 K12 N24 O144 Ru24 Sb4 -","9","2.25","","Ding, Cheng; Xu, Xian; Qin, Qian; Ding, Jingen; Xu, Li","[Ru<sub>6</sub>(μ<sub>6</sub>-Sb)(CO)<sub>18</sub>]<sup>3-</sup>: deeply reduced metal carbonyl cluster embedded with naked μ<sub>6</sub>-Sb.","Dalton transactions (Cambridge, England : 2003)","2026","55","10","4139","4143","10.1039/d6dt00002a","","","0.71073","MoKα","","0.0493","0.0478","","","0.1054","0.1064","","","","","","1.07","","","","has coordinates,has disorder","305353","2026-04-05","12:01:05",""
"7720023","21.8358","0.0001","18.1575","0.0001","31.8458","0.0002","90","","90.552","0.001","90","","12625.8","0.12","164","30","164","30","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H80 N18 Ni13 O97 P2 W18 -","- C34 H81 N18 Ni13 O97 P2 W18 -","- C136 H324 N72 Ni52 O388 P8 W72 -","4","1","","Gao, Shuang; Wang, Zhen-Wen; Yang, Guo-Yu","Synthesis, structures and catalytic properties of two organic-inorganic hybrid polyoxometalates built from {Ni<sub>6</sub>PW<sub>9</sub>} units.","Dalton transactions (Cambridge, England : 2003)","2026","55","9","3733","3738","10.1039/d5dt03040d","","x-ray","1.54184","CuKα","","0.0453","0.04","","","0.1109","0.1145","","","","","","1.042","","","","has coordinates","304917","2026-03-05","12:53:35",""
"7720024","13.4167","0.0012","13.7245","0.0018","35.498","0.005","90","","90","","90","","6536.5","1.4","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C16 H36 N8 Ni7 O49 P W9 -","- C16 H36 N8 Ni7 O49 P W9 -","- C64 H144 N32 Ni28 O196 P4 W36 -","4","1","","Gao, Shuang; Wang, Zhen-Wen; Yang, Guo-Yu","Synthesis, structures and catalytic properties of two organic-inorganic hybrid polyoxometalates built from {Ni<sub>6</sub>PW<sub>9</sub>} units.","Dalton transactions (Cambridge, England : 2003)","2026","55","9","3733","3738","10.1039/d5dt03040d","","x-ray","0.71073","MoKα","","0.1465","0.0665","","","0.1171","0.1497","","","","","","0.982","","","","has coordinates","304917","2026-03-05","12:53:35",""
"7720025","14.3052","0.001","16.0611","0.0013","26.251","0.002","90","","90","","90","","6031.4","0.8","150","2","150","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C62 H57 Dy2 N7 Ni2 O19 -","- C62 H57 Dy2 N7 Ni2 O19 -","- C248 H228 Dy8 N28 Ni8 O76 -","4","0.5","","Panja, Anangamohan; Jagličić, Zvonko; Aravena, Daniel; Jana, Narayan Ch; Brandão, Paula","Magneto-structural and theoretical insights into Ni<sub>2</sub>Dy<sub>2</sub> butterfly single-molecule magnets with diverse anionic co-ligands.","Dalton transactions (Cambridge, England : 2003)","2026","55","11","4495","4508","10.1039/d5dt02843d","","","0.71073","MoKα","","0.0641","0.0468","","","0.098","0.1124","","","","","","1.24","","","","has coordinates,has disorder","305384","2026-04-05","12:10:51",""
"7720026","11.1086","0.0003","12.5027","0.0002","14.5057","0.0003","65.386","0.002","88.71","0.002","80.896","0.002","1806.41","0.07","100","0.1","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C76 H80 Dy2 N6 Ni2 O18 -","- C76 H80 Dy2 N6 Ni2 O18 -","- C76 H80 Dy2 N6 Ni2 O18 -","1","0.5","","Panja, Anangamohan; Jagličić, Zvonko; Aravena, Daniel; Jana, Narayan Ch; Brandão, Paula","Magneto-structural and theoretical insights into Ni<sub>2</sub>Dy<sub>2</sub> butterfly single-molecule magnets with diverse anionic co-ligands.","Dalton transactions (Cambridge, England : 2003)","2026","55","11","4495","4508","10.1039/d5dt02843d","","","0.71073","MoKα","","0.0447","0.0391","","","0.1018","0.1047","","","","","","1.046","","","","has coordinates","305384","2026-04-05","12:10:51",""
"7720027","24.47","0.005","12.5293","0.0019","22.778","0.005","90","","106.826","0.009","90","","6685","2","150","2","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C64 H76 Dy2 N4 Ni2 O25 -","- C64 H76 Dy2 N4 Ni2 O25 -","- C256 H304 Dy8 N16 Ni8 O100 -","4","0.5","","Panja, Anangamohan; Jagličić, Zvonko; Aravena, Daniel; Jana, Narayan Ch; Brandão, Paula","Magneto-structural and theoretical insights into Ni<sub>2</sub>Dy<sub>2</sub> butterfly single-molecule magnets with diverse anionic co-ligands.","Dalton transactions (Cambridge, England : 2003)","2026","55","11","4495","4508","10.1039/d5dt02843d","","","0.71073","MoKα","","0.0174","0.0161","","","0.0403","0.0412","","","","","","1.105","","","","has coordinates,has disorder","305384","2026-04-05","12:10:51",""
"7720028","11.0156","0.0003","11.4301","0.0004","14.6227","0.0004","67.037","0.003","76.289","0.002","64.293","0.003","1522.34","0.09","100.01","0.1","100.15","","","","","","","","","7","P -1","-P 1","2","","","","- C62 H60 Dy2 N6 Ni2 O16 S2 -","- C62 H60 Dy2 N6 Ni2 O16 S2 -","- C62 H60 Dy2 N6 Ni2 O16 S2 -","1","0.5","","Panja, Anangamohan; Jagličić, Zvonko; Aravena, Daniel; Jana, Narayan Ch; Brandão, Paula","Magneto-structural and theoretical insights into Ni<sub>2</sub>Dy<sub>2</sub> butterfly single-molecule magnets with diverse anionic co-ligands.","Dalton transactions (Cambridge, England : 2003)","2026","55","11","4495","4508","10.1039/d5dt02843d","","","0.71073","MoKα","","0.0521","0.035","","","0.0803","0.0882","","","","","","1.082","","","","has coordinates","305384","2026-04-05","12:10:51",""
"7720029","11.1635","0.0003","12.2232","0.0003","13.2329","0.0004","107.887","0.002","106.295","0.002","97.049","0.002","1605.66","0.08","100.02","0.1","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C70 H70 Dy2 N4 Ni2 O16 -","- C70 H70 Dy2 N4 Ni2 O16 -","- C70 H70 Dy2 N4 Ni2 O16 -","1","0.5","","Panja, Anangamohan; Jagličić, Zvonko; Aravena, Daniel; Jana, Narayan Ch; Brandão, Paula","Magneto-structural and theoretical insights into Ni<sub>2</sub>Dy<sub>2</sub> butterfly single-molecule magnets with diverse anionic co-ligands.","Dalton transactions (Cambridge, England : 2003)","2026","55","11","4495","4508","10.1039/d5dt02843d","","","1.54184","CuKα","","0.0538","0.0478","","","0.1223","0.1266","","","","","","1.046","","","","has coordinates","305384","2026-04-05","12:10:51",""
"7720030","12.835","0.003","14.971","0.003","19.994","0.004","86.749","0.007","73.097","0.007","69.214","0.007","3432","1.3","170","2","170","2","","","","","","","synthesized","5","P -1","-P 1","2","","","","- C127 H228 Ni10 P8 Si4 -","- C127 H228 Ni10 P8 Si4 -","- C127 H228 Ni10 P8 Si4 -","1","0.5","","Liu, Junyang; Sum, Kethya; Johnson, Samuel A.","Mechanistic insight into cooperative catalysis with pentanuclear nickel clusters: catalytic alkene dimerization and silyl-silylene and silylyne clusters.","Dalton transactions (Cambridge, England : 2003)","2026","55","9","3882","3895","10.1039/d5dt02642c","","x-ray","0.71073","MoKα","","0.0691","0.0493","","","0.1129","0.1206","","","","","","1.038","","","","has coordinates,has disorder","304924","2026-03-05","12:56:13",""
"7720031","12.6719","0.0008","13.4829","0.0009","18.3772","0.001","91.85","0.003","101.576","0.002","103.972","0.003","2974.2","0.3","170","2","170","2","","","","","","","synthesized","4","P -1","-P 1","2","","","","- C51 H114 Ni5 P4 -","- C51 H114 Ni5 P4 -","- C102 H228 Ni10 P8 -","2","1","","Liu, Junyang; Sum, Kethya; Johnson, Samuel A.","Mechanistic insight into cooperative catalysis with pentanuclear nickel clusters: catalytic alkene dimerization and silyl-silylene and silylyne clusters.","Dalton transactions (Cambridge, England : 2003)","2026","55","9","3882","3895","10.1039/d5dt02642c","","x-ray","0.71073","MoKα","","0.0813","0.0698","","","0.1241","0.1274","","","","","","1.309","","","","has coordinates,has disorder","304924","2026-03-05","12:56:13",""
"7720032","15.7736","0.0012","20.5782","0.0014","18.9188","0.0013","90","","102.478","0.003","90","","5995.8","0.7","170","2","170","2","","","","","","","synthesized","5","P 1 21/n 1","-P 2yn","14","","","","- C47 H117 Ni5 P5 Si -","- C47 H117 Ni5 P5 Si -","- C188 H468 Ni20 P20 Si4 -","4","1","","Liu, Junyang; Sum, Kethya; Johnson, Samuel A.","Mechanistic insight into cooperative catalysis with pentanuclear nickel clusters: catalytic alkene dimerization and silyl-silylene and silylyne clusters.","Dalton transactions (Cambridge, England : 2003)","2026","55","9","3882","3895","10.1039/d5dt02642c","","x-ray","0.71073","MoKα","","0.0538","0.0371","","","0.0823","0.0881","","","","","","1.083","","","","has coordinates","304924","2026-03-05","12:56:13",""
"7720033","9.5567","0.0006","15.4561","0.0011","24.0658","0.0016","90","","90.072","0.002","90","","3554.7","0.4","120","","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","bis(tetraethylammonium) tetrakis(4-methylbenzene-1-thiolato)-cadmium(ii)","","- C35 H51 Cd N5 O2 S2 -","- C35 H51 Cd N5 O2 S2 -","- C140 H204 Cd4 N20 O8 S8 -","4","1","","Sohail, Muhammad; Heinsen, Carsten; Oliver, Allen G.; Tsui, Emily Y.","Sulfur insertion into group 12 metal dithiolate complexes: metal-dependent equilibria.","Dalton transactions (Cambridge, England : 2003)","2026","55","10","4119","4127","10.1039/d6dt00074f","","","0.71073","MoKα","","0.091","0.0508","","","0.0876","0.1008","","","","","","1.082","","","","has coordinates,has disorder","305358","2026-04-05","12:01:35",""
"7720034","14.1642","0.0014","18.917","0.002","23.983","0.002","93.388","0.003","102.363","0.003","107.3","0.004","5941","1","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C35.5 H40.67 Cd0.67 N5.33 O3.17 S4 -","- C35.501 H40.6687 Cd0.666667 N5.33333 O3.16667 S4 -","- C213.006 H244.012 Cd4 N32 O19 S24 -","6","3","","Sohail, Muhammad; Heinsen, Carsten; Oliver, Allen G.; Tsui, Emily Y.","Sulfur insertion into group 12 metal dithiolate complexes: metal-dependent equilibria.","Dalton transactions (Cambridge, England : 2003)","2026","55","10","4119","4127","10.1039/d6dt00074f","","","0.71073","MoKα","","0.0716","0.0632","","","0.1447","0.1489","","","","","","1.139","","","","has coordinates,has disorder","305358","2026-04-05","12:01:35",""
"7720035","9.5352","0.0006","15.4127","0.0008","24.2083","0.0015","90","","90.247","0.002","90","","3557.7","0.4","120","","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","bis(tetraethylammonium) tetrakis(4-methylbenzene-1-thiolato)-mercury(ii)","","- C35 H51 Hg N5 O2 S2 -","- C35 H51 Hg N5 O2 S2 -","- C140 H204 Hg4 N20 O8 S8 -","4","1","","Sohail, Muhammad; Heinsen, Carsten; Oliver, Allen G.; Tsui, Emily Y.","Sulfur insertion into group 12 metal dithiolate complexes: metal-dependent equilibria.","Dalton transactions (Cambridge, England : 2003)","2026","55","10","4119","4127","10.1039/d6dt00074f","","","0.71073","MoKα","","0.0557","0.0319","","","0.0526","0.0588","","","","","","1.023","","","","has coordinates,has disorder","305358","2026-04-05","12:01:35",""
"7720036","16.8332","0.0015","18.2888","0.0017","30.014","0.003","90","","90","","90","","9240.1","1.5","120","","120","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","[Et4N]2[3Me-Cd(Stol)]","","- C44 H62.5 Cd N5.5 O2 S3 -","- C44 H62.5 Cd N5.5 O2 S3 -","- C352 H500 Cd8 N44 O16 S24 -","8","1","","Sohail, Muhammad; Heinsen, Carsten; Oliver, Allen G.; Tsui, Emily Y.","Sulfur insertion into group 12 metal dithiolate complexes: metal-dependent equilibria.","Dalton transactions (Cambridge, England : 2003)","2026","55","10","4119","4127","10.1039/d6dt00074f","","","0.71073","MoKα","","0.0791","0.0748","","","0.1872","0.1904","","","","","","1.169","","","","has coordinates,has disorder","305358","2026-04-05","12:01:35",""
"7720037","16.8803","0.0008","18.3305","0.0008","29.6825","0.0014","90","","90","","90","","9184.5","0.7","120","2","120","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","[Et4N]2[LMeHgStol]","","- C43 H61 Hg N5 O2 S3 -","- C43 H61 Hg N5 O2 S3 -","- C344 H488 Hg8 N40 O16 S24 -","8","1","","Sohail, Muhammad; Heinsen, Carsten; Oliver, Allen G.; Tsui, Emily Y.","Sulfur insertion into group 12 metal dithiolate complexes: metal-dependent equilibria.","Dalton transactions (Cambridge, England : 2003)","2026","55","10","4119","4127","10.1039/d6dt00074f","","","0.71073","MoKα","","0.0595","0.0514","","","0.1027","0.1064","","","","","","1.182","","","","has coordinates","305358","2026-04-05","12:01:35",""
"7720038","13.02","0.0014","13.5522","0.0011","26.71","0.002","81.291","0.007","89.485","0.009","89.155","0.009","4658","0.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C54 H77 Li2 N -","- C54 H77 Li2 N -","- C216 H308 Li8 N4 -","4","2","","Bogachev, Mikhail A.; Selikhov, Alexander N.; Cherkasov, Anton V.; Aysin, Rinat R.; Trifonov, Alexander A.","Electrophilic lithium carbazolide as an efficient trap for organolithium species: complexes containing monomeric <i>n</i>-BuLi, <i>t</i>-BuLi and Me<sub>3</sub>SiCH<sub>2</sub>Li units.","Dalton transactions (Cambridge, England : 2003)","2026","55","6","2452","2464","10.1039/d5dt02800k","","","0.71073","MoKα","","0.1449","0.0879","","","0.262","0.2837","","","","","","1.073","","","","has coordinates,has disorder","304306","2026-02-12","22:59:53",""
"7720039","12.7955","0.0005","21.3653","0.0007","17.8574","0.0005","90","","95.565","0.003","90","","4858.8","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C57 H76 Li N -","- C56.998 H75.993 Li N -","- C227.992 H303.972 Li4 N4 -","4","1","","Bogachev, Mikhail A.; Selikhov, Alexander N.; Cherkasov, Anton V.; Aysin, Rinat R.; Trifonov, Alexander A.","Electrophilic lithium carbazolide as an efficient trap for organolithium species: complexes containing monomeric <i>n</i>-BuLi, <i>t</i>-BuLi and Me<sub>3</sub>SiCH<sub>2</sub>Li units.","Dalton transactions (Cambridge, England : 2003)","2026","55","6","2452","2464","10.1039/d5dt02800k","","","0.71073","MoKα","","0.1244","0.0897","","","0.2455","0.2762","","","","","","1.021","","","","has coordinates,has disorder","304306","2026-02-12","22:59:53",""
"7720040","38.6636","0.0014","13.1619","0.0005","20.1069","0.0009","90","","102.221","0.004","90","","10000.3","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H79 Li2 N Si -","- C54 H79 Li2 N Si -","- C432 H632 Li16 N8 Si8 -","8","2","","Bogachev, Mikhail A.; Selikhov, Alexander N.; Cherkasov, Anton V.; Aysin, Rinat R.; Trifonov, Alexander A.","Electrophilic lithium carbazolide as an efficient trap for organolithium species: complexes containing monomeric <i>n</i>-BuLi, <i>t</i>-BuLi and Me<sub>3</sub>SiCH<sub>2</sub>Li units.","Dalton transactions (Cambridge, England : 2003)","2026","55","6","2452","2464","10.1039/d5dt02800k","","","0.71073","MoKα","","0.1149","0.0732","","","0.1584","0.1784","","","","","","1.057","","","","has coordinates,has disorder","304306","2026-02-12","22:59:53",""
"7720041","22.7861","0.0005","19.6508","0.0003","23.5221","0.0005","90","","113.266","0.002","90","","9675.9","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C54 H77 Li2 N -","- C54 H77 Li2 N -","- C432 H616 Li16 N8 -","8","2","","Bogachev, Mikhail A.; Selikhov, Alexander N.; Cherkasov, Anton V.; Aysin, Rinat R.; Trifonov, Alexander A.","Electrophilic lithium carbazolide as an efficient trap for organolithium species: complexes containing monomeric <i>n</i>-BuLi, <i>t</i>-BuLi and Me<sub>3</sub>SiCH<sub>2</sub>Li units.","Dalton transactions (Cambridge, England : 2003)","2026","55","6","2452","2464","10.1039/d5dt02800k","","","0.71073","MoKα","","0.1267","0.0765","","","0.186","0.2214","","","","","","1.032","","","","has coordinates,has disorder","304306","2026-02-12","22:59:53",""
"7720042","13.6754","0.0005","16.6156","0.0006","18.9107","0.0007","113.57","0.001","105.385","0.001","90.907","0.001","3761","0.2","99.95","","99.95","","","","","","","","","6","P -1","-P 1","2","","","","- C132 H114 Au8 Cl26 P8 Te4 -","- C132 H114 Au8 Cl26 P8 Te4 -","- C132 H114 Au8 Cl26 P8 Te4 -","1","0.5","","Ott, Adrian; Leis, Wolfgang; Seitz, Michael; Schnepf, Andreas","[Au<sub>8</sub>(TePh)<sub>4</sub>dppm<sub>2</sub>(Ph<sub>2</sub>PCHPPh<sub>2</sub>)<sub>2</sub>]Cl<sub>2</sub>: a water and air stable red-luminescent gold-tellurolate cluster with an excellent quantum yield.","Dalton transactions (Cambridge, England : 2003)","2026","55","6","2438","2442","10.1039/d5dt02489g","","x-ray","0.71073","MoKα","","0.0279","0.0225","","","0.0505","0.0533","","","","","","1.1","","","","has coordinates","304307","2026-02-12","23:00:12",""
"7720043","8.185","0.004","10.141","0.004","13.801","0.007","85.22","0.03","79.67","0.03","66.51","0.03","1033.5","0.9","303","","301","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H18 Cu2 N8 O11 -","- C12 H18 Cu2 N8 O11 -","- C24 H36 Cu4 N16 O22 -","2","1","","Manna, Anupama; Ansari, Mohammad Fawad; Arjmand, Farukh; Jagličić, Zvonko; Herchel, Radovan; Ray, Debashis","Phenoxido-bridged open-cubane [Cu<sub>4</sub>(μ<sub>3</sub>-OH)<sub>2</sub>] and stepped-cubane [Cu<sub>4</sub>(μ<sub>3</sub>-OMe)<sub>2</sub>] complexes from a semicarbazone Schiff base: synthesis, anion-coordination-tunable structures, biomimicking functions, DNA binding, magnetic behavior and theoretical support.","Dalton transactions (Cambridge, England : 2003)","2026","55","9","3750","3767","10.1039/d5dt03005f","","","0.71073","MoKα","","0.1294","0.0641","","","0.1073","0.1221","","","","","","1.086","","","","has coordinates","304916","2026-03-05","12:53:11",""
"7720044","13.9537","0.0014","25.08","0.002","14.9365","0.0014","90","","117.783","0.004","90","","4624.6","0.8","303","","303","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H38 Cl4 Cu4 N12 O29 -","- C22 H38 Cl4 Cu4 N12 O29 -","- C88 H152 Cl16 Cu16 N48 O116 -","4","1","","Manna, Anupama; Ansari, Mohammad Fawad; Arjmand, Farukh; Jagličić, Zvonko; Herchel, Radovan; Ray, Debashis","Phenoxido-bridged open-cubane [Cu<sub>4</sub>(μ<sub>3</sub>-OH)<sub>2</sub>] and stepped-cubane [Cu<sub>4</sub>(μ<sub>3</sub>-OMe)<sub>2</sub>] complexes from a semicarbazone Schiff base: synthesis, anion-coordination-tunable structures, biomimicking functions, DNA binding, magnetic behavior and theoretical support.","Dalton transactions (Cambridge, England : 2003)","2026","55","9","3750","3767","10.1039/d5dt03005f","","","0.71073","MoKα","","0.0591","0.0451","","","0.122","0.1426","","","","","","1.1154","","","","has coordinates","304916","2026-03-05","12:53:12",""
"7720045","16.444","0.003","19.237","0.004","25.411","0.005","90","","107.47","0.03","90","","7668","3","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C317 H242 Ag38 F6 Mo2 O45 P14 S2 -","- C317 H242 Ag38 F6 Mo2 O45 P14 S2 -","- C317 H242 Ag38 F6 Mo2 O45 P14 S2 -","1","0.5","","Ye, Xiao-Lin; Rezayati, Sobhan; Bigdeli, Fahime; Yang, Le; Liu, Kuan-Guan; Wei, Jianyu; Morsali, Ali","Developing two high-nuclearity Ag nanoclusters with temperature-sensitive fluorescence properties.","Dalton transactions (Cambridge, England : 2003)","2026","55","10","4298","4305","10.1039/d5dt02009c","","","0.71073","MoKα","","0.0344","0.0283","","","0.0466","0.0488","","","","","","1.065","","","","has coordinates,has disorder","305359","2026-04-05","12:01:42",""
"7720046","17.2664","0.0006","17.8141","0.0006","29.2674","0.0009","80.312","0.001","74.594","0.001","87.937","0.001","8554.6","0.5","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C161.5 H157 Ag19 B2 Cr F8 O31.5 P8 -","- C158 H143 Ag19 B2 Cr F8 O28 P8 -","- C316 H286 Ag38 B4 Cr2 F16 O56 P16 -","2","1","","Ye, Xiao-Lin; Rezayati, Sobhan; Bigdeli, Fahime; Yang, Le; Liu, Kuan-Guan; Wei, Jianyu; Morsali, Ali","Developing two high-nuclearity Ag nanoclusters with temperature-sensitive fluorescence properties.","Dalton transactions (Cambridge, England : 2003)","2026","55","10","4298","4305","10.1039/d5dt02009c","","x-ray","0.71073","MoKα","","0.0885","0.0593","","","0.1331","0.1514","","","","","","1.076","","","","has coordinates,has disorder","305359","2026-04-05","12:01:42",""
"7720047","10.8701","0.0015","12.3027","0.0017","16.905","0.002","78.932","0.002","73.301","0.002","73.616","0.002","2062.3","0.5","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C46.5 H56 Mg N3 P -","- C46.5 H56 Mg N3 P -","- C93 H112 Mg2 N6 P2 -","2","1","","Pi, Chengfu; Zhou, Jie","Isolation and reactivity of heteroleptic magnesium 1,3-benzazaphospholide complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","6","2673","2680","10.1039/d5dt03010b","","","0.71073","MoKα","","0.0609","0.0437","","","0.1138","0.125","","","","","","1.015","","","","has coordinates,has disorder","304310","2026-02-12","23:01:50",""
"7720048","11.8726","0.0003","19.6268","0.0004","18.8009","0.0004","90","","95.925","0.001","90","","4357.6","0.17","296","2","296.15","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C47 H60 Mg N3 O P -","- C47 H60 Mg N3 O P -","- C188 H240 Mg4 N12 O4 P4 -","4","1","","Pi, Chengfu; Zhou, Jie","Isolation and reactivity of heteroleptic magnesium 1,3-benzazaphospholide complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","6","2673","2680","10.1039/d5dt03010b","","","0.71073","MoKα","","0.0399","0.0342","","","0.0851","0.0884","","","","","","1.046","","","","has coordinates,has disorder","304310","2026-02-12","23:01:51",""
"7720049","11.1505","0.0005","12.2547","0.0005","17.442","0.0007","82.51","0.002","81.711","0.002","69.129","0.002","2195.67","0.16","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C48 H62 Mg N3 O1.5 P -","- C48 H62 Mg N3 O1.5 P -","- C96 H124 Mg2 N6 O3 P2 -","2","1","","Pi, Chengfu; Zhou, Jie","Isolation and reactivity of heteroleptic magnesium 1,3-benzazaphospholide complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","6","2673","2680","10.1039/d5dt03010b","","","0.71073","MoKα","","0.0637","0.0521","","","0.1219","0.1302","","","","","","1.117","","","","has coordinates,has disorder","304310","2026-02-12","23:01:51",""
"7720050","10.0667","0.0015","11.3787","0.0017","18.648","0.003","91.558","0.002","96.792","0.002","105.766","0.002","2037.3","0.5","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C45.5 H54 Mg N3 P -","- C45.5 H54 Mg N3 P -","- C91 H108 Mg2 N6 P2 -","2","1","","Pi, Chengfu; Zhou, Jie","Isolation and reactivity of heteroleptic magnesium 1,3-benzazaphospholide complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","6","2673","2680","10.1039/d5dt03010b","","","0.71073","MoKα","","0.0594","0.0453","","","0.1237","0.1325","","","","","","1.066","","","","has coordinates,has disorder","304310","2026-02-12","23:01:51",""
"7720051","38.47","0.004","13.363","0.0015","15.7513","0.0017","90","","93.695","0.002","90","","8080.5","1.5","100.15","","100.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C43 H52 Mg N3 P S2 -","- C43 H52 Mg N3 P S2 -","- C344 H416 Mg8 N24 P8 S16 -","8","1","","Pi, Chengfu; Zhou, Jie","Isolation and reactivity of heteroleptic magnesium 1,3-benzazaphospholide complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","6","2673","2680","10.1039/d5dt03010b","","","0.71073","MoKα","","0.1064","0.086","","","0.2334","0.256","","","","","","1.034","","","","has coordinates","304310","2026-02-12","23:01:51",""
"7720052","10.701","0.005","14.209","0.006","18.491","0.008","100.258","0.01","94.936","0.014","94.487","0.014","2744","2","110","","110","","","","","","","","","6","P -1","-P 1","2","","","","- C29.5 H30 Cl2 N P Pd -","- C29.5 H30 Cl2 N P Pd -","- C118 H120 Cl8 N4 P4 Pd4 -","4","2","","Fortuna, Payton A.; Kelley, Leslie S. G.; Sun, Yipeng; Xu, Jiabin; Wang, Zhiqiang; Boyle, Paul D.; Sham, Tsun-Kong; Staroverov, Viktor N.; Blacquiere, Johanna M.","A change in ligand hapticity promotes Lewis base dissociation.","Dalton transactions (Cambridge, England : 2003)","2026","55","6","2556","2563","10.1039/d5dt02402a","","","0.71073","MoKα","","0.0544","0.0362","","","0.0813","0.088","","","","","","1.026","","","","has coordinates","304311","2026-02-12","23:02:11",""
"7720053","5.41878","0.00006","5.41878","0.00006","26.2776","0.0003","90","","90","","120","","668.22","0.013","298","","298","","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- B4 Ba3 Bi Dy O13 Pb -","- B4.00024 Ba3.00012 Bi Dy O13.0002 Pb -","- B8.00048 Ba6.00024 Bi2 Dy2 O26.0005 Pb2 -","2","0.0833333","","Lv, Yun; Wang, Yanhong; Shi, Nian; Huang, Keke; Tang, Jinkui; Lu, Hongcheng","Ba<sub>3</sub>BiPbREO(BO<sub>3</sub>)<sub>4</sub> (RE = Pr, Nd, Gd, and Dy): two-dimensional rare-earth antiferromagnets with a geometrically-perfect triangular lattice directed by a triangular BO<sub>3</sub> unit.","Dalton transactions (Cambridge, England : 2003)","2026","55","9","3786","3794","10.1039/d5dt03066h","powder diffraction","","","CuKα","","","","","","","","","7.3652","2.7","","","","","","","has coordinates","304926","2026-03-05","12:56:59",""
"7720054","5.4387","0.0004","5.4387","0.0004","26.384","0.002","90","","90","","120","","675.87","0.09","298","2","298","","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- B4 Ba3 Bi Gd O13 Pb -","- B4 Ba3 Bi Gd O13 Pb -","- B8 Ba6 Bi2 Gd2 O26 Pb2 -","2","0.0833333","","Lv, Yun; Wang, Yanhong; Shi, Nian; Huang, Keke; Tang, Jinkui; Lu, Hongcheng","Ba<sub>3</sub>BiPbREO(BO<sub>3</sub>)<sub>4</sub> (RE = Pr, Nd, Gd, and Dy): two-dimensional rare-earth antiferromagnets with a geometrically-perfect triangular lattice directed by a triangular BO<sub>3</sub> unit.","Dalton transactions (Cambridge, England : 2003)","2026","55","9","3786","3794","10.1039/d5dt03066h","","","0.71073","MoKα","","0.0745","0.0587","","","0.1291","0.1376","","","","","","1.14","","","","has coordinates,has disorder","304926","2026-03-05","12:56:59",""
"7720055","5.40402","0.00004","5.40402","0.00004","26.8712","0.0003","90","","90","","120","","679.597","0.01","298","","298","","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- B4 Ba3 Bi Nd O13 Pb -","- B4.00024 Ba3.00012 Bi Nd O13.0005 Pb -","- B8.00048 Ba6.00024 Bi2 Nd2 O26.001 Pb2 -","2","0.0833333","","Lv, Yun; Wang, Yanhong; Shi, Nian; Huang, Keke; Tang, Jinkui; Lu, Hongcheng","Ba<sub>3</sub>BiPbREO(BO<sub>3</sub>)<sub>4</sub> (RE = Pr, Nd, Gd, and Dy): two-dimensional rare-earth antiferromagnets with a geometrically-perfect triangular lattice directed by a triangular BO<sub>3</sub> unit.","Dalton transactions (Cambridge, England : 2003)","2026","55","9","3786","3794","10.1039/d5dt03066h","powder diffraction","","","CuKα","","","","","","","","","16.3053","3.1","","","","","","","has coordinates","304926","2026-03-05","12:56:59",""
"7720056","5.394","0.0012","5.394","0.0012","26.94","0.007","90","","90","","120","","678.8","0.3","293","2","293","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- B4 Ba3 Bi O13 Pb Pr -","- B4 Ba3 Bi O13 Pb Pr -","- B8 Ba6 Bi2 O26 Pb2 Pr2 -","2","0.0833333","","Lv, Yun; Wang, Yanhong; Shi, Nian; Huang, Keke; Tang, Jinkui; Lu, Hongcheng","Ba<sub>3</sub>BiPbREO(BO<sub>3</sub>)<sub>4</sub> (RE = Pr, Nd, Gd, and Dy): two-dimensional rare-earth antiferromagnets with a geometrically-perfect triangular lattice directed by a triangular BO<sub>3</sub> unit.","Dalton transactions (Cambridge, England : 2003)","2026","55","9","3786","3794","10.1039/d5dt03066h","","","0.71073","MoKα","","0.0861","0.0524","","","0.1082","0.1175","","","","","","1.068","","","","has coordinates,has disorder","304926","2026-03-05","12:56:59",""
"7720057","15.0109","0.0008","15.0108","0.0008","19.9307","0.001","90","","90","","90","","4490.9","0.4","300","","300","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H22 N2 O4 W -","- C22 H22 N2 O4 W -","- C176 H176 N16 O32 W8 -","8","1","","Bai, Pengtao; Liu, Yuzan; Fang, Li; Li, Ying; Wang, Jiahao; Cai, Yougen; Chen, Lei; Zhao, Jia-Jia; Song, Heng; Zong, Luyi; Xu, Chen","Electronically and sterically varied tungsten carbonyls applied to the selective dearomatization of N-heteroarenes.","Dalton transactions (Cambridge, England : 2003)","2026","55","8","3454","3459","10.1039/d6dt00164e","","x-ray","0.71073","MoKα","","0.0433","0.0233","","","0.0483","0.0555","","","","","","1.024","","","","has coordinates,has disorder","304907","2026-03-05","12:48:07",""
"7720058","12.344","0.004","9.316","0.004","21.158","0.009","90","","104.3","0.02","90","","2357.7","1.6","296.15","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 N2 O4 W -","- C24 H24 N2 O4 W -","- C96 H96 N8 O16 W4 -","4","1","","Bai, Pengtao; Liu, Yuzan; Fang, Li; Li, Ying; Wang, Jiahao; Cai, Yougen; Chen, Lei; Zhao, Jia-Jia; Song, Heng; Zong, Luyi; Xu, Chen","Electronically and sterically varied tungsten carbonyls applied to the selective dearomatization of N-heteroarenes.","Dalton transactions (Cambridge, England : 2003)","2026","55","8","3454","3459","10.1039/d6dt00164e","","","0.71073","MoKα","","0.0981","0.0462","","","0.0775","0.0914","","","","","","1.013","","","","has coordinates","304907","2026-03-05","12:48:07",""
"7720059","14.101","0.0003","10.3729","0.0002","28.2822","0.0005","90","","95.963","0.001","90","","4114.4","0.14","296.15","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H49 N5 O4 W -","- C41 H49 N5 O4 W -","- C164 H196 N20 O16 W4 -","4","1","","Bai, Pengtao; Liu, Yuzan; Fang, Li; Li, Ying; Wang, Jiahao; Cai, Yougen; Chen, Lei; Zhao, Jia-Jia; Song, Heng; Zong, Luyi; Xu, Chen","Electronically and sterically varied tungsten carbonyls applied to the selective dearomatization of N-heteroarenes.","Dalton transactions (Cambridge, England : 2003)","2026","55","8","3454","3459","10.1039/d6dt00164e","","","0.71073","MoKα","","0.0368","0.029","","","0.0601","0.0619","","","","","","1.211","","","","has coordinates","304907","2026-03-05","12:48:07",""
"7720060","12.1044","0.0005","12.5818","0.0005","11.5585","0.0004","90","","115.858","0.002","90","","1584.06","0.11","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- B10 H11 N2 Na O18 -","- B10 H11 N2 Na O18 -","- B40 H44 N8 Na4 O72 -","4","1","","Wulamu, Kelibinuer; Yan, Ziting; Chu, Dongdong; Lu, Juanjuan; Zhang, Yanhui; Du, Hong","CsB(OH)<sub>4</sub>(H<sub>2</sub>O)<sub>2</sub> and Na(NH<sub>4</sub>)<sub>2</sub>B<sub>10</sub>O<sub>16</sub>OH(H<sub>2</sub>O): a hydroxylation modification strategy regulates the borate structures and optical properties.","Dalton transactions (Cambridge, England : 2003)","2026","55","8","3521","3527","10.1039/d5dt02928g","","","0.71073","MoKα","","0.0635","0.0461","","","0.1291","0.139","","","","","","1.094","","","","has coordinates,has disorder","304904","2026-03-05","12:46:49",""
"7720061","12.1565","0.0013","6.0425","0.0007","17.3444","0.0017","90","","90","","90","","1274","0.2","273.15","","273.15","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- B Cs H8 O6 -","- B Cs H8 O6 -","- B8 Cs8 H64 O48 -","8","2","","Wulamu, Kelibinuer; Yan, Ziting; Chu, Dongdong; Lu, Juanjuan; Zhang, Yanhui; Du, Hong","CsB(OH)<sub>4</sub>(H<sub>2</sub>O)<sub>2</sub> and Na(NH<sub>4</sub>)<sub>2</sub>B<sub>10</sub>O<sub>16</sub>OH(H<sub>2</sub>O): a hydroxylation modification strategy regulates the borate structures and optical properties.","Dalton transactions (Cambridge, England : 2003)","2026","55","8","3521","3527","10.1039/d5dt02928g","","","0.71073","MoKα","","0.0206","0.0202","","","0.0472","0.0474","","","","","","1.079","","","","has coordinates","304904","2026-03-05","12:46:50",""
"7720062","14.2266","0.0007","14.5459","0.0006","17.7323","0.0008","79.054","0.004","70.147","0.004","61.742","0.005","3038.2","0.3","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C65 H58 F6 N Ni P5 S2 -","- C65 H58 F6 N Ni P5 S2 -","- C130 H116 F12 N2 Ni2 P10 S4 -","2","1","","Pal, Sarvesh Kumar; Mishra, Anjali; Mishra, Gaurav Kumar; Hansson, Ruben; Jaiswal, Vishal; Nordlander, Ebbe; Lisensky, George; Singh, Amrendra Kumar; Singh, Nanhai; Lama, Prem; Kumar, Kamlesh","Cationic heteroleptic Ni(II) complexes of dithiocarbamate and phosphine ligands: synthesis, characterization and proton reduction study.","Dalton transactions (Cambridge, England : 2003)","2026","55","8","3375","3387","10.1039/d5dt02840j","","","1.54184","CuKα","","0.0698","0.0551","","","0.151","0.1661","","","","","","1.042","","","","has coordinates,has disorder","304906","2026-03-05","12:47:30",""
"7720063","11.2659","0.0003","13.1885","0.0005","15.769","0.0004","68.936","0.003","84.682","0.002","89.924","0.002","2175.7","0.12","298","2","298","2","","","","","","","","8","P -1","-P 1","2","","","","- C43 H44 F6 N Ni O P3 S2 -","- C43 H44 F6 N Ni O P3 S2 -","- C86 H88 F12 N2 Ni2 O2 P6 S4 -","2","1","","Pal, Sarvesh Kumar; Mishra, Anjali; Mishra, Gaurav Kumar; Hansson, Ruben; Jaiswal, Vishal; Nordlander, Ebbe; Lisensky, George; Singh, Amrendra Kumar; Singh, Nanhai; Lama, Prem; Kumar, Kamlesh","Cationic heteroleptic Ni(II) complexes of dithiocarbamate and phosphine ligands: synthesis, characterization and proton reduction study.","Dalton transactions (Cambridge, England : 2003)","2026","55","8","3375","3387","10.1039/d5dt02840j","","","0.71073","MoKα","","0.0771","0.0539","","","0.1442","0.161","","","","","","1.083","","","","has coordinates,has disorder","304906","2026-03-05","12:47:31",""
"7720064","10.2238","0.0004","14.4135","0.0006","12.2816","0.0005","90","","101.31","0.004","90","","1774.68","0.13","173","3","173","3","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H42 Cl2 N4 O14 -","- C32 H42 Cl2 N4 O14 -","- C64 H84 Cl4 N8 O28 -","2","0.5","","Siakalli, Christina; Osborne, Bradley E.; Brown, Ryan K.; Rocco, Claudia; Weiss, Dominik; García-España, Enrique V; Grundler, Pascal V.; Moiseeva, Anzhelika N.; Talip, Zeynep; van der Meulen, Nicholas P.; Ma, Michelle T.; Long, Nicholas J.","Hydroxyquinoline-functionalised aza-crown macrocycles for lanthanide coordination.","Dalton transactions (Cambridge, England : 2003)","2026","55","8","3413","3421","10.1039/d5dt03015c","","x-ray","1.54184","CuKα","","0.069","0.0488","","","0.1235","0.1413","","","","","","1.057","","","","has coordinates","304905","2026-03-05","12:47:09",""
"7720065","20.3932","0.0004","11.4737","0.0002","16.2053","0.0004","90","","109.809","0.003","90","","3567.43","0.15","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H39 Cl2 La N4 O14 -","- C32 H39 Cl2 La N4 O14 -","- C128 H156 Cl8 La4 N16 O56 -","4","1","","Siakalli, Christina; Osborne, Bradley E.; Brown, Ryan K.; Rocco, Claudia; Weiss, Dominik; García-España, Enrique V; Grundler, Pascal V.; Moiseeva, Anzhelika N.; Talip, Zeynep; van der Meulen, Nicholas P.; Ma, Michelle T.; Long, Nicholas J.","Hydroxyquinoline-functionalised aza-crown macrocycles for lanthanide coordination.","Dalton transactions (Cambridge, England : 2003)","2026","55","8","3413","3421","10.1039/d5dt03015c","","","1.54184","CuKα","","0.0582","0.0385","","","0.087","0.0992","","","","","","1.042","","","","has coordinates","304905","2026-03-05","12:47:10",""
"7720066","7.29929","0.00006","17.8359","0.0002","7.24461","0.00006","90","","118.998","0.0004","90","","824.933","0.014","298","","298","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- Rb2 Te8 W4 -","- Rb2 Te8 W4 -","- Rb4 Te16 W8 -","2","0.5","","Schmidt, Patrick; Strauß, Fabian; Scheele, Marcus; Romao, Carl P.; Meyer, Hans-Jürgen","Intercalation of alkali metal into WTe<sub>2</sub>, the crystal structure of <i>A</i><sub>0.5</sub>WTe<sub>2</sub> and observation of a metal-to-semiconductor transition.","Dalton transactions (Cambridge, England : 2003)","2026","55","8","3296","3309","10.1039/d5dt02775f","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","1.5274","1.0001","","","","","","","has coordinates","304910","2026-03-05","12:49:33",""
"7720067","7.29984","0.00006","18.5213","0.0003","7.24484","0.00006","90","","118.93","0.0004","90","","857.29","0.017","298","","298","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- Cs2 Te8 W4 -","- Cs2 Te8 W4 -","- Cs4 Te16 W8 -","2","0.5","","Schmidt, Patrick; Strauß, Fabian; Scheele, Marcus; Romao, Carl P.; Meyer, Hans-Jürgen","Intercalation of alkali metal into WTe<sub>2</sub>, the crystal structure of <i>A</i><sub>0.5</sub>WTe<sub>2</sub> and observation of a metal-to-semiconductor transition.","Dalton transactions (Cambridge, England : 2003)","2026","55","8","3296","3309","10.1039/d5dt02775f","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","1.7201","1.0898","","","","","","","has coordinates","304910","2026-03-05","12:49:34",""
"7720068","7.29743","0.00008","17.2594","0.0002","7.24144","0.00008","90","","119.107","0.0004","90","","796.874","0.016","298","","298","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- K2 Te8 W4 -","- K2 Te8 W4 -","- K4 Te16 W8 -","2","0.5","","Schmidt, Patrick; Strauß, Fabian; Scheele, Marcus; Romao, Carl P.; Meyer, Hans-Jürgen","Intercalation of alkali metal into WTe<sub>2</sub>, the crystal structure of <i>A</i><sub>0.5</sub>WTe<sub>2</sub> and observation of a metal-to-semiconductor transition.","Dalton transactions (Cambridge, England : 2003)","2026","55","8","3296","3309","10.1039/d5dt02775f","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","1.4426","1.0109","","","","","","","has coordinates","304910","2026-03-05","12:49:34",""
"7720069","24.4993","0.0007","14.6755","0.0004","13.4219","0.0004","90","","92.191","0.001","90","","4822.2","0.2","120","","120","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C22 H17 B Fe1.5 N10 O S -","- C22 H17 B Fe1.5 N10 O S -","- C176 H136 B8 Fe12 N80 O8 S8 -","8","1","","Li, Xin-Feng; Wang, Hao; Chen, Du-Yong; Liu, Qiang; Xiao, Jingyi; Wen, Wen; Jiang, Wen-Jing; Zhao, Liang; Meng, Yin-Shan; Liu, Tao","Modulating multi-channel bistability in cyanide-bridged {Fe<sub>2</sub>Fe} spin-crossover coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2026","55","6","2702","2708","10.1039/d5dt02923f","","","0.71073","MoKα","","0.0407","0.0327","","","0.0763","0.0822","","","","","","1.053","","","","has coordinates","304318","2026-02-12","23:07:54",""
"7720070","24.8845","0.0009","15.0561","0.0005","13.722","0.0005","90","","90","","90","","5141.1","0.3","300","","300","","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C23 H19 B Fe1.5 N10 O S -","- C23 H19 B Fe1.5 N10 O S -","- C184 H152 B8 Fe12 N80 O8 S8 -","8","1","","Li, Xin-Feng; Wang, Hao; Chen, Du-Yong; Liu, Qiang; Xiao, Jingyi; Wen, Wen; Jiang, Wen-Jing; Zhao, Liang; Meng, Yin-Shan; Liu, Tao","Modulating multi-channel bistability in cyanide-bridged {Fe<sub>2</sub>Fe} spin-crossover coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2026","55","6","2702","2708","10.1039/d5dt02923f","","","0.71073","MoKα","","0.0842","0.0532","","","0.129","0.1445","","","","","","1.106","","","","has coordinates","304318","2026-02-12","23:07:55",""
"7720071","24.9757","0.0014","14.8152","0.001","13.6874","0.0009","90","","92.579","0.002","90","","5059.5","0.6","300.1","","300.1","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C22 H17 B Fe1.5 N10 O S -","- C22 H17 B Fe1.5 N10 O S -","- C176 H136 B8 Fe12 N80 O8 S8 -","8","1","","Li, Xin-Feng; Wang, Hao; Chen, Du-Yong; Liu, Qiang; Xiao, Jingyi; Wen, Wen; Jiang, Wen-Jing; Zhao, Liang; Meng, Yin-Shan; Liu, Tao","Modulating multi-channel bistability in cyanide-bridged {Fe<sub>2</sub>Fe} spin-crossover coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2026","55","6","2702","2708","10.1039/d5dt02923f","","","0.71073","MoKα","","0.0312","0.026","","","0.0655","0.0691","","","","","","1.049","","","","has coordinates","304318","2026-02-12","23:07:55",""
"7720072","24.4571","0.0009","14.8845","0.0006","13.4957","0.0005","90","","90","","90","","4912.9","0.3","120","","120","","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C23 H19 B Fe1.5 N10 O S -","- C23 H19 B Fe1.5 N10 O S -","- C184 H152 B8 Fe12 N80 O8 S8 -","8","1","","Li, Xin-Feng; Wang, Hao; Chen, Du-Yong; Liu, Qiang; Xiao, Jingyi; Wen, Wen; Jiang, Wen-Jing; Zhao, Liang; Meng, Yin-Shan; Liu, Tao","Modulating multi-channel bistability in cyanide-bridged {Fe<sub>2</sub>Fe} spin-crossover coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2026","55","6","2702","2708","10.1039/d5dt02923f","","","0.71073","MoKα","","0.0649","0.0488","","","0.1143","0.1218","","","","","","1.146","","","","has coordinates","304318","2026-02-12","23:07:55",""
"7720073","6.3548","0.0002","14.1867","0.0004","31.7085","0.0009","90","","92.027","0.001","90","","2856.85","0.15","293.15","","293.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H23 Dy O16 -","- C30 H23 Dy O16 -","- C120 H92 Dy4 O64 -","4","1","","Hollauer, Henrique V. P.; Guedes, Guilherme P.; Mariano, Davor L.; Ghivelder, Luís; Mendonça, Alberto A; Soriano, Stéphane; Farias, Renan L.; Escobar, Lívia B L","Unveiling single-ion magnetism in lanthanide-coumarin carboxylate coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2026","55","6","2665","2672","10.1039/d5dt02478a","","","0.71073","MoKα","","0.0172","0.0169","","","0.0386","0.0388","","","","","","1.27","","","","has coordinates","304319","2026-02-12","23:08:18",""
"7720074","6.6882","0.0002","14.4802","0.0004","16.4316","0.0005","115.462","0.001","93.876","0.001","94.699","0.001","1422.57","0.07","293.15","","293.15","","","","","","","","","4","P -1","-P 1","2","","","","- C30 H23 Gd O16 -","- C30 H23 Gd O16 -","- C60 H46 Gd2 O32 -","2","1","","Hollauer, Henrique V. P.; Guedes, Guilherme P.; Mariano, Davor L.; Ghivelder, Luís; Mendonça, Alberto A; Soriano, Stéphane; Farias, Renan L.; Escobar, Lívia B L","Unveiling single-ion magnetism in lanthanide-coumarin carboxylate coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2026","55","6","2665","2672","10.1039/d5dt02478a","","","0.71073","MoKα","","0.0187","0.0175","","","0.0402","0.0415","","","","","","1.109","","","","has coordinates","304319","2026-02-12","23:08:19",""
"7720075","9.5534","0.0005","9.796","0.0005","15.4982","0.0007","90","","106.154","0.002","90","","1393.14","0.12","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H10 Cu N6 O -","- C15 H10 Cu N6 O -","- C60 H40 Cu4 N24 O4 -","4","1","","Roy, Amit Saha; Ghosh, Sourav; Nath, Indranil; Caballero, Sergi; Escuer, Albert; Mayans, Júlia; Swain, Shasank Sekhar","Field-induced slow magnetic relaxation, molecular docking and antibacterial studies of quasi-isotropic copper(II) (<i>S</i> = ½) systems stabilised by tetradentate (ONNO) and tridentate (NNO)-donor ligands.","Dalton transactions (Cambridge, England : 2003)","2026","55","10","4062","4074","10.1039/d6dt00119j","","","0.71073","MoKα","","0.0919","0.0485","","","0.1204","0.142","","","","","","0.84","","","","has coordinates","305367","2026-04-05","12:04:10",""
"7720076","8.5837","0.0005","24.7178","0.0012","7.6373","0.0004","90","","113.709","0.002","90","","1483.64","0.14","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H10 Cu N4 O S -","- C16 H10 Cu N4 O S -","- C64 H40 Cu4 N16 O4 S4 -","4","1","","Roy, Amit Saha; Ghosh, Sourav; Nath, Indranil; Caballero, Sergi; Escuer, Albert; Mayans, Júlia; Swain, Shasank Sekhar","Field-induced slow magnetic relaxation, molecular docking and antibacterial studies of quasi-isotropic copper(II) (<i>S</i> = ½) systems stabilised by tetradentate (ONNO) and tridentate (NNO)-donor ligands.","Dalton transactions (Cambridge, England : 2003)","2026","55","10","4062","4074","10.1039/d6dt00119j","","","0.71073","MoKα","","0.055","0.0405","","","0.1236","0.1323","","","","","","0.969","","","","has coordinates","305367","2026-04-05","12:04:10",""
"7720077","8.5871","0.0006","7.6095","0.0005","12.0102","0.0008","90","","96.616","0.003","90","","779.56","0.09","273","2","273.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H13 Cu N3 O3 -","- C17 H13 Cu N3 O3 -","- C34 H26 Cu2 N6 O6 -","2","1","","Roy, Amit Saha; Ghosh, Sourav; Nath, Indranil; Caballero, Sergi; Escuer, Albert; Mayans, Júlia; Swain, Shasank Sekhar","Field-induced slow magnetic relaxation, molecular docking and antibacterial studies of quasi-isotropic copper(II) (<i>S</i> = ½) systems stabilised by tetradentate (ONNO) and tridentate (NNO)-donor ligands.","Dalton transactions (Cambridge, England : 2003)","2026","55","10","4062","4074","10.1039/d6dt00119j","","x-ray","0.71073","MoKα","","0.0762","0.0516","","","0.1086","0.1147","","","","","","1.025","","","","has coordinates","305367","2026-04-05","12:04:10",""
"7720078","8.9072","0.0004","10.1735","0.0005","22.3801","0.0011","98.737","0.002","90.706","0.002","100.614","0.002","1968.5","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C76 H80 Cu4 N8 O20 -","- C76 H80 Cu4 N8 O20 -","- C76 H80 Cu4 N8 O20 -","1","0.5","","Roy, Amit Saha; Ghosh, Sourav; Nath, Indranil; Caballero, Sergi; Escuer, Albert; Mayans, Júlia; Swain, Shasank Sekhar","Field-induced slow magnetic relaxation, molecular docking and antibacterial studies of quasi-isotropic copper(II) (<i>S</i> = ½) systems stabilised by tetradentate (ONNO) and tridentate (NNO)-donor ligands.","Dalton transactions (Cambridge, England : 2003)","2026","55","10","4062","4074","10.1039/d6dt00119j","","","0.71073","MoKα","","0.0896","0.0569","","","0.1241","0.1401","","","","","","1.018","","","","has coordinates,has disorder","305367","2026-04-05","12:04:10",""
"7720079","5.6752","0.0011","13.728","0.003","21.379","0.004","90","","90","","90","","1665.6","0.6","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 N Rh -","- C20 H20 N Rh -","- C80 H80 N4 Rh4 -","4","1","","Yan, Jiayu; Sun, Jian; Zhou, Shuangliu","Half-sandwich η<sup>5</sup>-pyrrolyl rhodium(I) complexes with alkene coordination: synthesis and reactivity exploration.","Dalton transactions (Cambridge, England : 2003)","2026","55","9","3682","3686","10.1039/d6dt00024j","","","0.71073","MoKα","","0.0499","0.0374","","","0.0769","0.0815","","","","","","1.008","","","","has coordinates","304918","2026-03-05","12:54:18",""
"7720080","11.629","0.005","12.484","0.007","12.696","0.006","88.53","0.02","65.778","0.015","69.592","0.016","1560.5","1.4","293","","293","","","","","","","","","8","P -1","-P 1","2","","","","- C29 H40 Cu F3 N2 O3 Rh2 S -","- C29 H40 Cu F3 N2 O3 Rh2 S -","- C58 H80 Cu2 F6 N4 O6 Rh4 S2 -","2","1","","Yan, Jiayu; Sun, Jian; Zhou, Shuangliu","Half-sandwich η<sup>5</sup>-pyrrolyl rhodium(I) complexes with alkene coordination: synthesis and reactivity exploration.","Dalton transactions (Cambridge, England : 2003)","2026","55","9","3682","3686","10.1039/d6dt00024j","","","0.71073","MoKα","","0.0767","0.0454","","","0.0972","0.1157","","","","","","1.068","","","","has coordinates,has disorder","304918","2026-03-05","12:54:18",""
"7720081","10.8808","0.0004","9.6579","0.0004","18.3867","0.0008","90","","103.021","0.001","90","","1882.5","0.13","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 N Rh -","- C24 H24 N Rh -","- C96 H96 N4 Rh4 -","4","1","","Yan, Jiayu; Sun, Jian; Zhou, Shuangliu","Half-sandwich η<sup>5</sup>-pyrrolyl rhodium(I) complexes with alkene coordination: synthesis and reactivity exploration.","Dalton transactions (Cambridge, England : 2003)","2026","55","9","3682","3686","10.1039/d6dt00024j","","","0.71073","MoKα","","0.0406","0.0292","","","0.0573","0.0644","","","","","","1.099","","","","has coordinates","304918","2026-03-05","12:54:18",""
"7720082","8.3231","0.0004","15.0509","0.0007","10.6915","0.0005","90","","105.818","0.002","90","","1288.61","0.11","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H20 N Rh -","- C14 H20 N Rh -","- C56 H80 N4 Rh4 -","4","1","","Yan, Jiayu; Sun, Jian; Zhou, Shuangliu","Half-sandwich η<sup>5</sup>-pyrrolyl rhodium(I) complexes with alkene coordination: synthesis and reactivity exploration.","Dalton transactions (Cambridge, England : 2003)","2026","55","9","3682","3686","10.1039/d6dt00024j","","","0.71073","MoKα","","0.0733","0.0539","","","0.1168","0.1252","","","","","","1.104","","","","has coordinates","304918","2026-03-05","12:54:18",""
"7720083","14.9045","0.0008","10.9709","0.0005","21.0161","0.0011","90","","94.732","0.002","90","","3424.8","0.3","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C39.5 H46 N5 Rh -","- C39.5 H46 N5 Rh -","- C158 H184 N20 Rh4 -","4","1","","Yan, Jiayu; Sun, Jian; Zhou, Shuangliu","Half-sandwich η<sup>5</sup>-pyrrolyl rhodium(I) complexes with alkene coordination: synthesis and reactivity exploration.","Dalton transactions (Cambridge, England : 2003)","2026","55","9","3682","3686","10.1039/d6dt00024j","","","0.71073","MoKα","","0.1025","0.0593","","","0.1168","0.1325","","","","","","1.036","","","","has coordinates,has disorder","304918","2026-03-05","12:54:18",""
"7720084","8.2982","0.0003","11.4047","0.0006","21.3013","0.0011","104.057","0.002","92.473","0.002","92.499","0.002","1950.69","0.16","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C46 H42 N4 Rh -","- C46 H42 N4 Rh -","- C92 H84 N8 Rh2 -","2","1","","Yan, Jiayu; Sun, Jian; Zhou, Shuangliu","Half-sandwich η<sup>5</sup>-pyrrolyl rhodium(I) complexes with alkene coordination: synthesis and reactivity exploration.","Dalton transactions (Cambridge, England : 2003)","2026","55","9","3682","3686","10.1039/d6dt00024j","","","0.71073","MoKα","","0.0599","0.0368","","","0.0726","0.0803","","","","","","1.009","","","","has coordinates","304918","2026-03-05","12:54:18",""
"7720085","7.6385","0.0011","19.358","0.003","20.35","0.003","87.727","0.004","89.49","0.005","83.562","0.005","2987.7","0.8","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C33 H35 N4 Rh -","- C33 H35 N4 Rh -","- C132 H140 N16 Rh4 -","4","2","","Yan, Jiayu; Sun, Jian; Zhou, Shuangliu","Half-sandwich η<sup>5</sup>-pyrrolyl rhodium(I) complexes with alkene coordination: synthesis and reactivity exploration.","Dalton transactions (Cambridge, England : 2003)","2026","55","9","3682","3686","10.1039/d6dt00024j","","x-ray","0.71073","MoKα","","0.1377","0.0957","","","0.2596","0.2821","","","","","","1.04","","","","has coordinates","304918","2026-03-05","12:54:18",""
"7720086","10.0313","0.0008","13.8812","0.0013","20.2598","0.0019","105.459","0.003","100.372","0.003","97.726","0.003","2624.6","0.4","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C28 H40 N2 Rh2 -","- C28 H40 N2 Rh2 -","- C112 H160 N8 Rh8 -","4","2","","Yan, Jiayu; Sun, Jian; Zhou, Shuangliu","Half-sandwich η<sup>5</sup>-pyrrolyl rhodium(I) complexes with alkene coordination: synthesis and reactivity exploration.","Dalton transactions (Cambridge, England : 2003)","2026","55","9","3682","3686","10.1039/d6dt00024j","","x-ray","0.71073","MoKα","","0.1329","0.0756","","","0.1732","0.2058","","","","","","1.03","","","","has coordinates","304918","2026-03-05","12:54:18",""
"7720087","11.0388","0.0002","11.9616","0.0001","13.6884","0.0002","64.115","0.001","67.902","0.001","89.325","0.001","1481.24","0.04","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H54 Bi2 Cl6 N10 Se4 -","- C48 H54 Bi2 Cl6 N10 Se4 -","- C48 H54 Bi2 Cl6 N10 Se4 -","1","0.5","","Kulkarni, Atharva Yeshwant; Majumder, Dwaipayan; Nigam, Sandeep; Tripathi, Vaidehi S.; Wadawale, Amey P.; Bahadur, Jitendra; Pathak, Ankita; Karmakar, Gourab; Chauhan, Rohit Singh; Tyagi, Adish","Novel bismuth-selone molecular precursor based selective synthesis of Bi<sub>2</sub>Se<sub>3</sub> nanoplates and nanosheets: a promising electrocatalyst for hydrogen evolution in a neutral medium.","Dalton transactions (Cambridge, England : 2003)","2026","55","8","3570","3585","10.1039/d6dt00093b","","x-ray","1.54184","CuKα","","0.0489","0.029","","","0.0704","0.0815","","","","","","1.033","","","","has coordinates","304913","2026-03-05","12:50:24",""
"7720088","8.1732","0.0007","14.7747","0.0012","18.4363","0.0016","94.285","0.004","100.595","0.003","98.311","0.003","2153.6","0.3","200","","200","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H31 F3 O12 Y2 -","- C40 H31 F3 O12 Y2 -","- C80 H62 F6 O24 Y4 -","2","1","","Wang, Ying; Gai, Yan-Li; Zhou, Xin; Wang, Hao; Xiong, Kecai","A stable yttrium-based metal-organic framework built on ladder building units for size-exclusion separation of hexane isomers.","Dalton transactions (Cambridge, England : 2003)","2026","55","6","2428","2432","10.1039/d5dt02828k","","","1.54178","CuKα","","0.0491","0.0448","","","0.1192","0.1234","","","","","","1.0346","","","","has coordinates,has disorder","304323","2026-02-12","23:10:31",""
"7720089","13.6908","0.0006","15.3445","0.0005","17.0465","0.0007","90","","105.352","0.005","90","","3453.3","0.3","120","1","120","1","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C30 H43 Cl2 Fe N7 O3 S2 -","- C30 H43 Cl2 Fe N7 O3 S2 -","- C120 H172 Cl8 Fe4 N28 O12 S8 -","4","0.5","","Zorina, Leokadiya V.; Simonov, Sergey V.; Sasnovskaya, Valentina D.; Blagov, Maxim A.; Korchagin, Denis V.; Zhidkov, Mikhail V.; Dmitriev, Alexei I.; Khramov, Evgenii V.; Yagubskii, Eduard B.","Single-crystal to single-crystal transformation in a pentagonal bipyramidal Fe(II) complex with a N<sub>3</sub>S<sub>2</sub> chelating ligand: switching on single-ion magnet properties <i>via</i> axial ligand substitution.","Dalton transactions (Cambridge, England : 2003)","2026","55","14","5608","5621","10.1039/d5dt03074a","","x-ray","0.71073","MoKα","","0.0554","0.0386","","","0.0904","0.1033","","","","","","1.004","","","","has coordinates,has disorder","305811","2026-05-05","09:13:57",""
"7720090","14.919","0.004","13.594","0.004","14.602","0.003","90","","94.09","0.02","90","","2953.9","1.3","130","1","130","1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C27 H31 Cl2 Fe N7 S2 -","- C27 H31 Cl2 Fe N7 S2 -","- C108 H124 Cl8 Fe4 N28 S8 -","4","0.5","","Zorina, Leokadiya V.; Simonov, Sergey V.; Sasnovskaya, Valentina D.; Blagov, Maxim A.; Korchagin, Denis V.; Zhidkov, Mikhail V.; Dmitriev, Alexei I.; Khramov, Evgenii V.; Yagubskii, Eduard B.","Single-crystal to single-crystal transformation in a pentagonal bipyramidal Fe(II) complex with a N<sub>3</sub>S<sub>2</sub> chelating ligand: switching on single-ion magnet properties <i>via</i> axial ligand substitution.","Dalton transactions (Cambridge, England : 2003)","2026","55","14","5608","5621","10.1039/d5dt03074a","","x-ray","0.71073","MoKα","","0.3148","0.2011","","","0.4073","0.5202","","","","","","1.01","","","","has coordinates","305811","2026-05-05","09:13:57",""
"7720091","9.033","0.0001","28.6313","0.0004","13.768","0.0001","90","","93.052","0.001","90","","3555.72","0.07","169.99","0.1","169.99","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C35 H41 Cl2 N3 P Zn -","- C35 H41 Cl2 N3 P Zn -","- C140 H164 Cl8 N12 P4 Zn4 -","4","1","","Xue, Xiaopan; Zhu, Dongzhi; Zhang, Wenjuan; Zheng, Tongxin; Wang, Rui; Ma, Yanping; Sun, Wen-Hua","Hybrid amino/iminopyridines with auxiliary phosphines enabling active zinc catalysts for the ring-opening polymerization of lactide.","Dalton transactions (Cambridge, England : 2003)","2026","55","8","3388","3399","10.1039/d5dt02857d","","x-ray","1.54184","CuKα","","0.0917","0.0851","","","0.2573","0.2652","","","","","","1.055","","","","has coordinates,has disorder","304912","2026-03-05","12:50:04",""
"7720092","14.1106","0.0005","15.8409","0.0006","16.7144","0.0005","63.087","0.004","69.006","0.003","71.911","0.003","3060.5","0.2","169.99","0.1","169.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C64 H72 Cl4 N6 P2 Zn2 -","- C64 H72 Cl4 N6 P2 Zn2 -","- C128 H144 Cl8 N12 P4 Zn4 -","2","1","","Xue, Xiaopan; Zhu, Dongzhi; Zhang, Wenjuan; Zheng, Tongxin; Wang, Rui; Ma, Yanping; Sun, Wen-Hua","Hybrid amino/iminopyridines with auxiliary phosphines enabling active zinc catalysts for the ring-opening polymerization of lactide.","Dalton transactions (Cambridge, England : 2003)","2026","55","8","3388","3399","10.1039/d5dt02857d","","x-ray","1.54184","CuKα","","0.0583","0.0463","","","0.1105","0.1167","","","","","","1.031","","","","has coordinates,has disorder","304912","2026-03-05","12:50:04",""
"7720093","14.3577","0.0002","22.6188","0.0003","30.3788","0.0005","90","","90","","90","","9865.6","0.2","295","2","295","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C52 H44 Ag F6 N4 S4 Sb -","- C52 H44 Ag F6 N4 S4 Sb -","- C416 H352 Ag8 F48 N32 S32 Sb8 -","8","1","","Andrejević, Tina P; Branković, Jovica; Ilic-Tomic, Tatjana; Stevanović, Nevena; Pantović, Bojana; Ašanin, Darko P; Nikodinovic-Runic, Jasmina; Petrović, Vladimir P; Marković, Violeta R; Glišić, Biljana Đ","Silver(I) complexes with <i>N</i>-methylphenothiazine as potential antimicrobial agents with a multi-target mode of action.","Dalton transactions (Cambridge, England : 2003)","2026","55","8","3460","3474","10.1039/d5dt02898a","","","0.71073","MoKα","","0.0451","0.0345","","","0.086","0.0922","","","","","","1.014","","","","has coordinates","304908","2026-03-05","12:48:28",""
"7720094","14.1327","0.0002","22.4083","0.0004","30.6416","0.0005","90","","90","","90","","9703.9","0.3","295","2","295","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C52 H44 Ag F6 N4 P S4 -","- C52 H44 Ag F6 N4 P S4 -","- C416 H352 Ag8 F48 N32 P8 S32 -","8","1","","Andrejević, Tina P; Branković, Jovica; Ilic-Tomic, Tatjana; Stevanović, Nevena; Pantović, Bojana; Ašanin, Darko P; Nikodinovic-Runic, Jasmina; Petrović, Vladimir P; Marković, Violeta R; Glišić, Biljana Đ","Silver(I) complexes with <i>N</i>-methylphenothiazine as potential antimicrobial agents with a multi-target mode of action.","Dalton transactions (Cambridge, England : 2003)","2026","55","8","3460","3474","10.1039/d5dt02898a","","","0.71073","MoKα","","0.0494","0.0353","","","0.0848","0.0927","","","","","","1.025","","","","has coordinates,has disorder","304908","2026-03-05","12:48:28",""
"7720095","12.1078","0.0002","12.8639","0.0002","16.611","0.0004","78.652","0.0017","76.3114","0.0017","87.9851","0.0014","2464.42","0.08","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C53 H44.67 Ag F3 N4 O3.33 S5 -","- C53 H44.6666 Ag F3 N4 O3.3333 S5 -","- C106 H89.3332 Ag2 F6 N8 O6.6666 S10 -","2","1","","Andrejević, Tina P; Branković, Jovica; Ilic-Tomic, Tatjana; Stevanović, Nevena; Pantović, Bojana; Ašanin, Darko P; Nikodinovic-Runic, Jasmina; Petrović, Vladimir P; Marković, Violeta R; Glišić, Biljana Đ","Silver(I) complexes with <i>N</i>-methylphenothiazine as potential antimicrobial agents with a multi-target mode of action.","Dalton transactions (Cambridge, England : 2003)","2026","55","8","3460","3474","10.1039/d5dt02898a","","","0.71073","MoKα","","0.0476","0.0387","","","0.0999","0.1064","","","","","","1.014","","","","has coordinates,has disorder","304908","2026-03-05","12:48:28",""
"7720096","16.7781","0.0008","17.5851","0.0008","6.8233","0.0003","90","","90","","90","","2013.18","0.16","120","","120","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C44 H52 Cu2 N4 O8 -","- C44 H52 Cu2 N4 O8 -","- C88 H104 Cu4 N8 O16 -","2","0.25","","Bhatti, Maria A.; Carrella, Luca M.; Streb, Carsten; Rentschler, Eva; Sundaresan, Sriram","Stability <i>vs.</i> activity in electrocatalytic hydrogen production and magnetic studies of mononuclear labile Cu(II) and Ni(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","9","3866","3874","10.1039/d6dt00175k","","x-ray","0.71073","MoKα","","0.0756","0.0573","","","0.1539","0.1674","","","","","","1.096","","","","has coordinates","304922","2026-03-05","12:55:24",""
"7720097","23.377","0.0012","12.7547","0.0007","6.7212","0.0003","90","","94.89","0.004","90","","1996.74","0.17","120","","120","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H52 N4 Ni2 O8 -","- C44 H52 N4 Ni2 O8 -","- C88 H104 N8 Ni4 O16 -","2","0.25","","Bhatti, Maria A.; Carrella, Luca M.; Streb, Carsten; Rentschler, Eva; Sundaresan, Sriram","Stability <i>vs.</i> activity in electrocatalytic hydrogen production and magnetic studies of mononuclear labile Cu(II) and Ni(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","9","3866","3874","10.1039/d6dt00175k","","x-ray","0.71073","MoKα","","0.065","0.0483","","","0.1458","0.1534","","","","","","1.106","","","","has coordinates","304922","2026-03-05","12:55:25",""
"7720098","9.1199","0.0006","8.8684","0.0004","15.123","0.0008","90","","90","","90","","1223.13","0.12","296","2","293","2","","","","","","","synthesized","4","P b c n","-P 2n 2ab","60","","","","- C6 H6 N16 Zn -","- C6 H6 N16 Zn -","- C24 H24 N64 Zn4 -","4","0.5","","Singla, Priyanka; Sharma, Vanshika; Yashita, ?; Soni, Pramod K.; Rao, M. Raghavendra; Singh, Arjun; Sahoo, Subash C.","Design and synthesis of Zn(II)/Cd(II)-based energetic metal coordination polymers with the bis(tetrazole)methane (H2btm) ligand: a comparative assessment of heat resistance and catalytic effects on the thermal decomposition of ammonium perchlorate.","Dalton transactions (Cambridge, England : 2003)","2026","55","10","4204","4214","10.1039/d5dt02770e","","x-ray","0.71073","MoKα","","0.0434","0.0301","","","0.0617","0.0661","","","","","","1.038","","","","has coordinates","305365","2026-04-05","12:04:01",""
"7720099","9.6138","0.0003","8.5984","0.0003","13.8852","0.0004","90","","96.521","0.003","90","","1140.37","0.06","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C3 H8 Br Cd1.5 N8 O3 -","- C3 H8 Br Cd1.5 N8 O3 -","- C12 H32 Br4 Cd6 N32 O12 -","4","1","","Singla, Priyanka; Sharma, Vanshika; Yashita, ?; Soni, Pramod K.; Rao, M. Raghavendra; Singh, Arjun; Sahoo, Subash C.","Design and synthesis of Zn(II)/Cd(II)-based energetic metal coordination polymers with the bis(tetrazole)methane (H2btm) ligand: a comparative assessment of heat resistance and catalytic effects on the thermal decomposition of ammonium perchlorate.","Dalton transactions (Cambridge, England : 2003)","2026","55","10","4204","4214","10.1039/d5dt02770e","","","0.71073","MoKα","","0.0315","0.0239","","","0.0505","0.0525","","","","","","1.073","","","","has coordinates,has disorder","305365","2026-04-05","12:04:01",""
"7720100","10.9423","0.0013","11.8086","0.0014","13.047","0.0016","111.781","0.001","90.373","0.001","97.365","0.001","1549.9","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H25 Cl2 F4 Ir N6 -","- C32 H25 Cl2 F4 Ir N6 -","- C64 H50 Cl4 F8 Ir2 N12 -","2","1","","Phan, Son N. T.; Schober, João V; Wu, Judy I.; Teets, Thomas S.","Synthesis and photoluminescence of iridium(III) arylacetylide complexes with acetylide-localized emissive excited states.","Dalton transactions (Cambridge, England : 2003)","2026","55","6","2499","2508","10.1039/d5dt02734a","","","0.71073","MoKα","","0.0144","0.0136","","","0.0335","0.0338","","","","","","1.054","","","","has coordinates","304330","2026-02-12","23:12:51",""
"7720101","22.3274","0.0008","10.0879","0.0004","20.9583","0.0009","90","","100.86","0.004","90","","4636","0.3","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C6 H56 Al Co3 Mo6 N12 O43 -","- C6 H54 Al Co3 Mo6 N12 O43 -","- C24 H216 Al4 Co12 Mo24 N48 O172 -","4","0.5","","Kuzman, D.; Damjanović, V; Toplak, J.; Medak, G.; Halasz, I.; Hrenar, T.; Cindrić, M; Vrdoljak, V.","Synthesis, structural characterization and properties of a series of heteropolyoxomolybdates: [AlMo<sub>6</sub>(OH)<sub>6</sub>O<sub>18</sub>]<sup>3-</sup>, [GeMo<sub>12</sub>O<sub>40</sub>]<sup>4-</sup>, [GeMo<sub>6</sub>O<sub>22</sub>(Hmal)<sub>3</sub>]<sup>7-</sup>, [SiMo<sub>12</sub>O<sub>40</sub>]<sup>4-</sup>, and [TeMo<sub>6</sub>O<sub>24</sub>]<sup>6</sup>.","Dalton transactions (Cambridge, England : 2003)","2026","55","8","3442","3453","10.1039/d5dt03064a","","x-ray","1.54184","CuKα","","0.0427","0.0387","","","0.1036","0.1064","","","","","","1.073","","","","has coordinates,has disorder","304909","2026-03-05","12:49:19",""
"7720102","7.00218","0.00005","21.64748","0.00014","13.63824","0.0001","90","","98.6221","0.0007","90","","2043.92","0.03","170","0.1","170","0.1","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C6 H28 Al Co N8 O17 -","- C6 H28 Al Co N8 O17 -","- C24 H112 Al4 Co4 N32 O68 -","4","1","","Kuzman, D.; Damjanović, V; Toplak, J.; Medak, G.; Halasz, I.; Hrenar, T.; Cindrić, M; Vrdoljak, V.","Synthesis, structural characterization and properties of a series of heteropolyoxomolybdates: [AlMo<sub>6</sub>(OH)<sub>6</sub>O<sub>18</sub>]<sup>3-</sup>, [GeMo<sub>12</sub>O<sub>40</sub>]<sup>4-</sup>, [GeMo<sub>6</sub>O<sub>22</sub>(Hmal)<sub>3</sub>]<sup>7-</sup>, [SiMo<sub>12</sub>O<sub>40</sub>]<sup>4-</sup>, and [TeMo<sub>6</sub>O<sub>24</sub>]<sup>6</sup>.","Dalton transactions (Cambridge, England : 2003)","2026","55","8","3442","3453","10.1039/d5dt03064a","","x-ray","1.54184","CuKα","","0.0246","0.0244","","","0.0634","0.0635","","","","","","1.038","","","","has coordinates","304909","2026-03-05","12:49:20",""
"7720103","16.6711","0.0001","16.6711","0.0001","23.1637","0.0002","90","","90","","90","","6437.78","0.08","293","2","293","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C8 H60 Co4 Ge Mo12 N16 O62 -","- C8 H56 Co4 Ge Mo12 N16 O62 -","- C32 H224 Co16 Ge4 Mo48 N64 O248 -","4","0.25","","Kuzman, D.; Damjanović, V; Toplak, J.; Medak, G.; Halasz, I.; Hrenar, T.; Cindrić, M; Vrdoljak, V.","Synthesis, structural characterization and properties of a series of heteropolyoxomolybdates: [AlMo<sub>6</sub>(OH)<sub>6</sub>O<sub>18</sub>]<sup>3-</sup>, [GeMo<sub>12</sub>O<sub>40</sub>]<sup>4-</sup>, [GeMo<sub>6</sub>O<sub>22</sub>(Hmal)<sub>3</sub>]<sup>7-</sup>, [SiMo<sub>12</sub>O<sub>40</sub>]<sup>4-</sup>, and [TeMo<sub>6</sub>O<sub>24</sub>]<sup>6</sup>.","Dalton transactions (Cambridge, England : 2003)","2026","55","8","3442","3453","10.1039/d5dt03064a","","x-ray","1.54184","CuKα","","0.0446","0.0425","","","0.1141","0.1159","","","","","","1.046","","","","has coordinates","304909","2026-03-05","12:49:20",""
"7720104","13.0853","0.0003","12.0278","0.0003","25.9811","0.0008","90","","93.415","0.003","90","","4081.84","0.19","169.98","0.1","169.98","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H88 Co4 Mo12 N16 O68 Si -","- C24 H64 Co4 Mo12 N16 O56 Si -","- C48 H128 Co8 Mo24 N32 O112 Si2 -","2","0.5","","Kuzman, D.; Damjanović, V; Toplak, J.; Medak, G.; Halasz, I.; Hrenar, T.; Cindrić, M; Vrdoljak, V.","Synthesis, structural characterization and properties of a series of heteropolyoxomolybdates: [AlMo<sub>6</sub>(OH)<sub>6</sub>O<sub>18</sub>]<sup>3-</sup>, [GeMo<sub>12</sub>O<sub>40</sub>]<sup>4-</sup>, [GeMo<sub>6</sub>O<sub>22</sub>(Hmal)<sub>3</sub>]<sup>7-</sup>, [SiMo<sub>12</sub>O<sub>40</sub>]<sup>4-</sup>, and [TeMo<sub>6</sub>O<sub>24</sub>]<sup>6</sup>.","Dalton transactions (Cambridge, England : 2003)","2026","55","8","3442","3453","10.1039/d5dt03064a","","x-ray","1.54184","CuKα","","0.0861","0.0766","","","0.2048","0.2144","","","","","","1.051","","","","has coordinates,has disorder","304909","2026-03-05","12:49:20",""
"7720105","13.132","0.0007","12.0745","0.0007","25.9671","0.0016","90","","93.3","0.005","90","","4110.6","0.4","177.1","0.2","177.1","0.2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H88 Co4 Ge Mo12 N16 O68 -","- C24 H64 Co4 Ge Mo12 N16 O56 -","- C48 H128 Co8 Ge2 Mo24 N32 O112 -","2","0.5","","Kuzman, D.; Damjanović, V; Toplak, J.; Medak, G.; Halasz, I.; Hrenar, T.; Cindrić, M; Vrdoljak, V.","Synthesis, structural characterization and properties of a series of heteropolyoxomolybdates: [AlMo<sub>6</sub>(OH)<sub>6</sub>O<sub>18</sub>]<sup>3-</sup>, [GeMo<sub>12</sub>O<sub>40</sub>]<sup>4-</sup>, [GeMo<sub>6</sub>O<sub>22</sub>(Hmal)<sub>3</sub>]<sup>7-</sup>, [SiMo<sub>12</sub>O<sub>40</sub>]<sup>4-</sup>, and [TeMo<sub>6</sub>O<sub>24</sub>]<sup>6</sup>.","Dalton transactions (Cambridge, England : 2003)","2026","55","8","3442","3453","10.1039/d5dt03064a","","x-ray","1.54184","CuKα","","0.1115","0.0881","","","0.2148","0.2299","","","","","","1.049","","","","has coordinates,has disorder","304909","2026-03-05","12:49:20",""
"7720106","11.5399","0.0009","6.9391","0.0006","19.323","0.002","90","","98.004","0.009","90","","1532.2","0.2","187.3","0.3","187.3","0.3","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H37 Al Co2 N8 O24 -","- C13 H36 Al Co2 N8 O24 -","- C26 H72 Al2 Co4 N16 O48 -","2","0.5","","Kuzman, D.; Damjanović, V; Toplak, J.; Medak, G.; Halasz, I.; Hrenar, T.; Cindrić, M; Vrdoljak, V.","Synthesis, structural characterization and properties of a series of heteropolyoxomolybdates: [AlMo<sub>6</sub>(OH)<sub>6</sub>O<sub>18</sub>]<sup>3-</sup>, [GeMo<sub>12</sub>O<sub>40</sub>]<sup>4-</sup>, [GeMo<sub>6</sub>O<sub>22</sub>(Hmal)<sub>3</sub>]<sup>7-</sup>, [SiMo<sub>12</sub>O<sub>40</sub>]<sup>4-</sup>, and [TeMo<sub>6</sub>O<sub>24</sub>]<sup>6</sup>.","Dalton transactions (Cambridge, England : 2003)","2026","55","8","3442","3453","10.1039/d5dt03064a","","x-ray","1.54184","CuKα","","0.0931","0.0814","","","0.2241","0.2396","","","","","","1.049","","","","has coordinates","304909","2026-03-05","12:49:20",""
"7720107","11.2606","0.0006","11.9994","0.0006","16.4793","0.0004","72.528","0.003","70.557","0.004","72.466","0.005","1952.02","0.16","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C12 H104 Co6 Mo6 N24 O64 Te -","- C12 H72 Co6 Mo6 N24 O64 Te -","- C12 H72 Co6 Mo6 N24 O64 Te -","1","0.5","","Kuzman, D.; Damjanović, V; Toplak, J.; Medak, G.; Halasz, I.; Hrenar, T.; Cindrić, M; Vrdoljak, V.","Synthesis, structural characterization and properties of a series of heteropolyoxomolybdates: [AlMo<sub>6</sub>(OH)<sub>6</sub>O<sub>18</sub>]<sup>3-</sup>, [GeMo<sub>12</sub>O<sub>40</sub>]<sup>4-</sup>, [GeMo<sub>6</sub>O<sub>22</sub>(Hmal)<sub>3</sub>]<sup>7-</sup>, [SiMo<sub>12</sub>O<sub>40</sub>]<sup>4-</sup>, and [TeMo<sub>6</sub>O<sub>24</sub>]<sup>6</sup>.","Dalton transactions (Cambridge, England : 2003)","2026","55","8","3442","3453","10.1039/d5dt03064a","","x-ray","1.54184","CuKα","","0.0955","0.0861","","","0.2345","0.2477","","","","","","1.008","","","","has coordinates","304909","2026-03-05","12:49:20",""
"7720108","11.0309","0.0001","19.192","0.0001","11.1056","0.0001","90","","102.893","0.001","90","","2291.84","0.03","170","0.1","170","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C4 H48 Co2 Mo8 N8 Na2 O46 -","- C4 H48 Co2 Mo8 N8 Na2 O46 -","- C8 H96 Co4 Mo16 N16 Na4 O92 -","2","0.5","","Kuzman, D.; Damjanović, V; Toplak, J.; Medak, G.; Halasz, I.; Hrenar, T.; Cindrić, M; Vrdoljak, V.","Synthesis, structural characterization and properties of a series of heteropolyoxomolybdates: [AlMo<sub>6</sub>(OH)<sub>6</sub>O<sub>18</sub>]<sup>3-</sup>, [GeMo<sub>12</sub>O<sub>40</sub>]<sup>4-</sup>, [GeMo<sub>6</sub>O<sub>22</sub>(Hmal)<sub>3</sub>]<sup>7-</sup>, [SiMo<sub>12</sub>O<sub>40</sub>]<sup>4-</sup>, and [TeMo<sub>6</sub>O<sub>24</sub>]<sup>6</sup>.","Dalton transactions (Cambridge, England : 2003)","2026","55","8","3442","3453","10.1039/d5dt03064a","","x-ray","1.54184","CuKα","","0.0442","0.0439","","","0.0965","0.0966","","","","","","1.191","","","","has coordinates","304909","2026-03-05","12:49:20",""
"7720109","11.4453","0.0006","14.172","0.0007","15.4608","0.0006","88.228","0.004","87.964","0.004","82.297","0.004","2482.7","0.2","169.99","0.1","169.99","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C12 H64 Cl2 Co2 Mo8 N12 O34 -","- C12 H52 Cl2 Co2 Mo8 N12 O34 -","- C24 H104 Cl4 Co4 Mo16 N24 O68 -","2","1","","Kuzman, D.; Damjanović, V; Toplak, J.; Medak, G.; Halasz, I.; Hrenar, T.; Cindrić, M; Vrdoljak, V.","Synthesis, structural characterization and properties of a series of heteropolyoxomolybdates: [AlMo<sub>6</sub>(OH)<sub>6</sub>O<sub>18</sub>]<sup>3-</sup>, [GeMo<sub>12</sub>O<sub>40</sub>]<sup>4-</sup>, [GeMo<sub>6</sub>O<sub>22</sub>(Hmal)<sub>3</sub>]<sup>7-</sup>, [SiMo<sub>12</sub>O<sub>40</sub>]<sup>4-</sup>, and [TeMo<sub>6</sub>O<sub>24</sub>]<sup>6</sup>.","Dalton transactions (Cambridge, England : 2003)","2026","55","8","3442","3453","10.1039/d5dt03064a","","x-ray","1.54184","CuKα","","0.0472","0.0431","","","0.1087","0.1118","","","","","","1.051","","","","has coordinates,has disorder","304909","2026-03-05","12:49:20",""
"7720110","10.4262","0.0002","14.6913","0.0003","20.8988","0.0005","106.021","0.002","101.646","0.002","91.277","0.002","3003.13","0.12","186.8","0.3","186.8","0.3","","","","","","","","8","P -1","-P 1","2","","","","- C15 H54.5 Co3 Ge Mo6 N12 Na4 O53.75 -","- C15 H39 Co3 Ge Mo6 N12 Na4 O53.75 -","- C30 H78 Co6 Ge2 Mo12 N24 Na8 O107.5 -","2","1","","Kuzman, D.; Damjanović, V; Toplak, J.; Medak, G.; Halasz, I.; Hrenar, T.; Cindrić, M; Vrdoljak, V.","Synthesis, structural characterization and properties of a series of heteropolyoxomolybdates: [AlMo<sub>6</sub>(OH)<sub>6</sub>O<sub>18</sub>]<sup>3-</sup>, [GeMo<sub>12</sub>O<sub>40</sub>]<sup>4-</sup>, [GeMo<sub>6</sub>O<sub>22</sub>(Hmal)<sub>3</sub>]<sup>7-</sup>, [SiMo<sub>12</sub>O<sub>40</sub>]<sup>4-</sup>, and [TeMo<sub>6</sub>O<sub>24</sub>]<sup>6</sup>.","Dalton transactions (Cambridge, England : 2003)","2026","55","8","3442","3453","10.1039/d5dt03064a","","x-ray","1.54184","CuKα","","0.0848","0.0723","","","0.1942","0.2056","","","","","","1.034","","","","has coordinates,has disorder","304909","2026-03-05","12:49:20",""
"7720111","23.4447","0.0001","15.34869","0.00006","20.3215","0.00008","90","","97.3211","0.0004","90","","7252.98","0.05","169.99","0.1","169.99","0.1","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C24 H96 Co4 Mo6 N16 Na2 O56 Te -","- C24 H74 Co4 Mo6 N16 Na2 O56 Te -","- C96 H296 Co16 Mo24 N64 Na8 O224 Te4 -","4","0.5","","Kuzman, D.; Damjanović, V; Toplak, J.; Medak, G.; Halasz, I.; Hrenar, T.; Cindrić, M; Vrdoljak, V.","Synthesis, structural characterization and properties of a series of heteropolyoxomolybdates: [AlMo<sub>6</sub>(OH)<sub>6</sub>O<sub>18</sub>]<sup>3-</sup>, [GeMo<sub>12</sub>O<sub>40</sub>]<sup>4-</sup>, [GeMo<sub>6</sub>O<sub>22</sub>(Hmal)<sub>3</sub>]<sup>7-</sup>, [SiMo<sub>12</sub>O<sub>40</sub>]<sup>4-</sup>, and [TeMo<sub>6</sub>O<sub>24</sub>]<sup>6</sup>.","Dalton transactions (Cambridge, England : 2003)","2026","55","8","3442","3453","10.1039/d5dt03064a","","x-ray","1.54184","CuKα","","0.0351","0.0345","","","0.0912","0.0917","","","","","","1.054","","","","has coordinates,has disorder","304909","2026-03-05","12:49:20",""
"7720112","5.3622","0.0007","8.688","0.001","19.054","0.002","95.539","0.008","91.382","0.008","105.27","0.007","851.19","0.18","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H46 F6 N4 O4 -","- C34 H46 F6 N4 O4 -","- C34 H46 F6 N4 O4 -","1","0.5","","Nunes, Inês M; Vieira, Bruno J. C.; Waerenborgh, João C; Romeu, Maria J.; Teixeira-Santos, Rita; Carapeto, Ana P.; Losada-García, Noelia; Mergulhão, Filipe J; Silva, Elisabete R.; Alves, Luis G.","Cyclam-based Cu(II) and Fe(III) complexes for antifouling coating development.","Dalton transactions (Cambridge, England : 2003)","2026","55","10","4108","4118","10.1039/d5dt01700a","","","0.71073","MoKα","","0.1745","0.0993","","","0.2686","0.311","","","","","","1.053","","","","has coordinates","305355","2026-04-05","12:01:14",""
"7720113","8.93","0.001","9.2703","0.0009","9.6657","0.0009","91.972","0.005","106.372","0.006","101.663","0.005","748.3","0.13","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H42 F6 N4 O2 -","- C30 H42 F6 N4 O2 -","- C30 H42 F6 N4 O2 -","1","0.5","","Nunes, Inês M; Vieira, Bruno J. C.; Waerenborgh, João C; Romeu, Maria J.; Teixeira-Santos, Rita; Carapeto, Ana P.; Losada-García, Noelia; Mergulhão, Filipe J; Silva, Elisabete R.; Alves, Luis G.","Cyclam-based Cu(II) and Fe(III) complexes for antifouling coating development.","Dalton transactions (Cambridge, England : 2003)","2026","55","10","4108","4118","10.1039/d5dt01700a","","","0.71073","MoKα","","0.0969","0.0633","","","0.154","0.1671","","","","","","1.077","","","","has coordinates","305355","2026-04-05","12:01:14",""
"7720114","9.3597","0.0002","13.3329","0.0003","13.8931","0.0002","106.425","0.002","97.765","0.002","91.828","0.002","1643.26","0.06","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C22 H56 Al P S Si4 -","- C22 H56 Al P S Si4 -","- C44 H112 Al2 P2 S2 Si8 -","2","1","","Buth, Julian; Vishnevskiy, Yury V.; Lamm, Jan-Hendrik; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Tuning reactivity through implementation of the HSAB concept in oxygen- and sulphur-bridged Al/P and Ga/P FLPs.","Dalton transactions (Cambridge, England : 2003)","2026","55","6","2691","2701","10.1039/d6dt00151c","","x-ray","1.54184","CuKα","","0.0504","0.048","","","0.1266","0.1282","","","","","","1.137","","","","has coordinates,has disorder","304333","2026-02-12","23:21:00",""
"7720115","16.7077","0.0004","16.489","0.0003","24.1502","0.0004","90","","93.764","0.002","90","","6638.9","0.2","100","0.1","100","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C22 H56 Al O1.2 P S0.99 Si4 -","- C22 H56 Al O1.199 P S0.985 Si4 -","- C176 H448 Al8 O9.592 P8 S7.88 Si32 -","8","1","","Buth, Julian; Vishnevskiy, Yury V.; Lamm, Jan-Hendrik; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Tuning reactivity through implementation of the HSAB concept in oxygen- and sulphur-bridged Al/P and Ga/P FLPs.","Dalton transactions (Cambridge, England : 2003)","2026","55","6","2691","2701","10.1039/d6dt00151c","","x-ray","1.54184","CuKα","","0.0688","0.0585","","","0.1469","0.1527","","","","","","1.046","","","","has coordinates,has disorder","304333","2026-02-12","23:21:01",""
"7720116","20.4227","0.0005","11.8217","0.0003","27.855","0.0007","90","","92.925","0.002","90","","6716.3","0.3","100","0.1","100","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C23 H56 Ga O P S2 Si4 -","- C23 H56 Ga O P S2 Si4 -","- C184 H448 Ga8 O8 P8 S16 Si32 -","8","1","","Buth, Julian; Vishnevskiy, Yury V.; Lamm, Jan-Hendrik; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Tuning reactivity through implementation of the HSAB concept in oxygen- and sulphur-bridged Al/P and Ga/P FLPs.","Dalton transactions (Cambridge, England : 2003)","2026","55","6","2691","2701","10.1039/d6dt00151c","","x-ray","0.71073","MoKα","","0.0338","0.0281","","","0.0626","0.0649","","","","","","1.06","","","","has coordinates","304333","2026-02-12","23:21:01",""
"7720117","9.4107","0.0002","13.3305","0.0004","13.9075","0.0004","107.069","0.002","97.76","0.002","90.634","0.002","1650.19","0.08","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C22 H56 Ga P S Si4 -","- C22 H56 Ga P S Si4 -","- C44 H112 Ga2 P2 S2 Si8 -","2","1","","Buth, Julian; Vishnevskiy, Yury V.; Lamm, Jan-Hendrik; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Tuning reactivity through implementation of the HSAB concept in oxygen- and sulphur-bridged Al/P and Ga/P FLPs.","Dalton transactions (Cambridge, England : 2003)","2026","55","6","2691","2701","10.1039/d6dt00151c","","x-ray","0.71073","MoKα","","0.0856","0.0626","","","0.1265","0.1396","","","","","","1.115","","","","has coordinates,has disorder","304333","2026-02-12","23:21:01",""
"7720118","11.7399","0.0011","28.1763","0.0017","11.8292","0.0009","90","","118.553","0.01","90","","3437","0.6","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H56 Ga O3 P Si4 -","- C23 H56 Ga O3 P Si4 -","- C92 H224 Ga4 O12 P4 Si16 -","4","1","","Buth, Julian; Vishnevskiy, Yury V.; Lamm, Jan-Hendrik; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Tuning reactivity through implementation of the HSAB concept in oxygen- and sulphur-bridged Al/P and Ga/P FLPs.","Dalton transactions (Cambridge, England : 2003)","2026","55","6","2691","2701","10.1039/d6dt00151c","","x-ray","0.71073","MoKα","","0.0793","0.0587","","","0.1293","0.1413","","","","","","1.027","","","","has coordinates,has disorder","304333","2026-02-12","23:21:01",""
"7720119","14.9783","0.0005","11.9478","0.0005","19.4795","0.0007","90","","101.56","0.003","90","","3415.3","0.2","100","0.1","100","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H56 Ga O3 P S Si4 -","- C22 H56 Ga O3 P S Si4 -","- C88 H224 Ga4 O12 P4 S4 Si16 -","4","1","","Buth, Julian; Vishnevskiy, Yury V.; Lamm, Jan-Hendrik; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Tuning reactivity through implementation of the HSAB concept in oxygen- and sulphur-bridged Al/P and Ga/P FLPs.","Dalton transactions (Cambridge, England : 2003)","2026","55","6","2691","2701","10.1039/d6dt00151c","","x-ray","0.71073","MoKα","","0.0447","0.0322","","","0.0756","0.0816","","","","","","1.026","","","","has coordinates,has disorder","304333","2026-02-12","23:21:01",""
"7720120","12.1936","0.0002","23.2523","0.0003","15.3726","0.0002","90","","107.872","0.001","90","","4148.26","0.1","100","0.1","100","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H65 Al O2 P S Si4 -","- C32 H65 Al O2 P S Si4 -","- C128 H260 Al4 O8 P4 S4 Si16 -","4","1","","Buth, Julian; Vishnevskiy, Yury V.; Lamm, Jan-Hendrik; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Tuning reactivity through implementation of the HSAB concept in oxygen- and sulphur-bridged Al/P and Ga/P FLPs.","Dalton transactions (Cambridge, England : 2003)","2026","55","6","2691","2701","10.1039/d6dt00151c","","x-ray","1.54184","CuKα","","0.053","0.0468","","","0.1236","0.131","","","","","","1.048","","","","has coordinates,has disorder","304333","2026-02-12","23:21:01",""
"7720121","20.7104","0.0002","11.8829","0.0001","28.2287","0.0003","90","","90.62","0.001","90","","6946.67","0.12","100","0.1","100","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C23 H56 Ga P S3 Si4 -","- C23 H56 Ga P S3 Si4 -","- C184 H448 Ga8 P8 S24 Si32 -","8","1","","Buth, Julian; Vishnevskiy, Yury V.; Lamm, Jan-Hendrik; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Tuning reactivity through implementation of the HSAB concept in oxygen- and sulphur-bridged Al/P and Ga/P FLPs.","Dalton transactions (Cambridge, England : 2003)","2026","55","6","2691","2701","10.1039/d6dt00151c","","x-ray","0.71073","MoKα","","0.027","0.0254","","","0.0612","0.062","","","","","","1.132","","","","has coordinates","304333","2026-02-12","23:21:01",""
"7720122","11.4899","0.0003","12.8148","0.0004","13.9414","0.0004","97.116","0.002","92.578","0.002","115.83","0.003","1822.14","0.1","100","0.16","100","0.16","","","","","","","","7","P -1","-P 1","2","","","","- C25 H60 Al Br P S Si4 -","- C25 H60 Al Br P S Si4 -","- C50 H120 Al2 Br2 P2 S2 Si8 -","2","1","","Buth, Julian; Vishnevskiy, Yury V.; Lamm, Jan-Hendrik; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Tuning reactivity through implementation of the HSAB concept in oxygen- and sulphur-bridged Al/P and Ga/P FLPs.","Dalton transactions (Cambridge, England : 2003)","2026","55","6","2691","2701","10.1039/d6dt00151c","","x-ray","0.71073","MoKα","","0.0362","0.0279","","","0.0602","0.0635","","","","","","1.0304","","","","has coordinates,has disorder","304333","2026-02-12","23:21:01",""
"7720123","11.7907","0.0001","11.7907","0.0001","47.9511","0.0009","90","","90","","90","","6666.19","0.15","99.99","0.1","99.99","0.1","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C22 H56 Ga O P S Si4 -","- C22 H56 Ga O P S Si4 -","- C176 H448 Ga8 O8 P8 S8 Si32 -","8","1","","Buth, Julian; Vishnevskiy, Yury V.; Lamm, Jan-Hendrik; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Tuning reactivity through implementation of the HSAB concept in oxygen- and sulphur-bridged Al/P and Ga/P FLPs.","Dalton transactions (Cambridge, England : 2003)","2026","55","6","2691","2701","10.1039/d6dt00151c","","x-ray","0.71073","MoKα","","0.0857","0.0831","","","0.1603","0.1615","","","","","","1.283","","","","has coordinates,has disorder","304333","2026-02-12","23:21:01",""
"7720124","12.1972","0.0003","17.209","0.0004","18.041","0.0003","83.294","0.002","86.526","0.002","76.911","0.002","3660.93","0.14","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C25 H62 Al P S2 Si4 -","- C25 H62 Al P S2 Si4 -","- C100 H248 Al4 P4 S8 Si16 -","4","2","","Buth, Julian; Vishnevskiy, Yury V.; Lamm, Jan-Hendrik; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Tuning reactivity through implementation of the HSAB concept in oxygen- and sulphur-bridged Al/P and Ga/P FLPs.","Dalton transactions (Cambridge, England : 2003)","2026","55","6","2691","2701","10.1039/d6dt00151c","","x-ray","0.71073","MoKα","","0.0571","0.0377","","","0.0682","0.0764","","","","","","1.0429","","","","has coordinates,has disorder","304333","2026-02-12","23:21:01",""
"7720125","17.2488","0.0006","17.0657","0.0007","23.2928","0.0009","90","","94.614","0.003","90","","6834.3","0.5","100","0.1","100","0.1","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C22 H56 Ga P S2 Si4 -","- C22 H56 Ga P S2 Si4 -","- C176 H448 Ga8 P8 S16 Si32 -","8","2","","Buth, Julian; Vishnevskiy, Yury V.; Lamm, Jan-Hendrik; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Tuning reactivity through implementation of the HSAB concept in oxygen- and sulphur-bridged Al/P and Ga/P FLPs.","Dalton transactions (Cambridge, England : 2003)","2026","55","6","2691","2701","10.1039/d6dt00151c","","x-ray","0.71073","MoKα","","0.0767","0.0528","","","0.1044","0.1156","","","","","","1.017","","","","has coordinates,has disorder","304333","2026-02-12","23:21:01",""
"7720126","16.9878","0.0005","11.583","0.0003","17.3586","0.0004","90","","97.744","0.002","90","","3384.5","0.15","100","0.1","100","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H56 Ga O2 P S2 Si4 -","- C22 H56 Ga O2 P S2 Si4 -","- C88 H224 Ga4 O8 P4 S8 Si16 -","4","1","","Buth, Julian; Vishnevskiy, Yury V.; Lamm, Jan-Hendrik; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Tuning reactivity through implementation of the HSAB concept in oxygen- and sulphur-bridged Al/P and Ga/P FLPs.","Dalton transactions (Cambridge, England : 2003)","2026","55","6","2691","2701","10.1039/d6dt00151c","","x-ray","0.71073","MoKα","","0.0322","0.0232","","","0.0428","0.0462","","","","","","1.0452","","","","has coordinates","304333","2026-02-12","23:21:01",""
"7720127","17.00365","0.00007","11.56562","0.00003","17.31949","0.00006","90","","97.8697","0.0003","90","","3373.93","0.02","100.01","0.1","100.01","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H56 Al O2 P S2 Si4 -","- C22 H56 Al O2 P S2 Si4 -","- C88 H224 Al4 O8 P4 S8 Si16 -","4","1","","Buth, Julian; Vishnevskiy, Yury V.; Lamm, Jan-Hendrik; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Tuning reactivity through implementation of the HSAB concept in oxygen- and sulphur-bridged Al/P and Ga/P FLPs.","Dalton transactions (Cambridge, England : 2003)","2026","55","6","2691","2701","10.1039/d6dt00151c","","x-ray","1.54184","CuKα","","0.0162","0.0161","","","0.036","0.0361","","","","","","1.0071","","","","has coordinates","304333","2026-02-12","23:21:01",""
"7720128","20.7333","0.0001","11.8416","0.0001","28.2218","0.0001","90","","90.657","0.001","90","","6928.43","0.07","100","0.1","100","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C23 H56 Al P S3 Si4 -","- C23 H56 Al P S3 Si4 -","- C184 H448 Al8 P8 S24 Si32 -","8","1","","Buth, Julian; Vishnevskiy, Yury V.; Lamm, Jan-Hendrik; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Tuning reactivity through implementation of the HSAB concept in oxygen- and sulphur-bridged Al/P and Ga/P FLPs.","Dalton transactions (Cambridge, England : 2003)","2026","55","6","2691","2701","10.1039/d6dt00151c","","x-ray","1.54184","CuKα","","0.0307","0.0305","","","0.0798","0.0801","","","","","","1.0468","","","","has coordinates","304333","2026-02-12","23:21:01",""
"7720129","12.4721","0.0004","14.9085","0.0004","16.3578","0.0004","90","","111.904","0.003","90","","2822","0.15","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H22 Cl2 Co N4 O6 -","- C32 H22 Cl2 Co N4 O6 -","- C128 H88 Cl8 Co4 N16 O24 -","4","0.5","","Torić, Filip; Androš Dubraja, Lidija; Herak, Mirta; Novosel, Nikolina; Petreska, Irina; Molčanov, Krešimir; Žilić, Dijana","Magneto-structural correlations in cobalt(II)-phenanthroline compounds with chloranilic acid.","Dalton transactions (Cambridge, England : 2003)","2026","55","9","3840","3852","10.1039/d5dt02533h","","","1.54184","CuKα","","0.0792","0.0703","","","","0.2052","","","","","","1.069","","","","has coordinates","305377","2026-04-05","12:09:39",""
"7720130","12.5057","0.0001","14.7939","0.0001","16.3923","0.0002","90","","111.624","0.001","90","","2819.27","0.05","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H22 Cl2 Co N4 O5 -","- C32 H22 Cl2 Co N4 O5 -","- C128 H88 Cl8 Co4 N16 O20 -","4","1","","Torić, Filip; Androš Dubraja, Lidija; Herak, Mirta; Novosel, Nikolina; Petreska, Irina; Molčanov, Krešimir; Žilić, Dijana","Magneto-structural correlations in cobalt(II)-phenanthroline compounds with chloranilic acid.","Dalton transactions (Cambridge, England : 2003)","2026","55","9","3840","3852","10.1039/d5dt02533h","","","1.54184","CuKα","","0.0368","0.0352","","","","0.1043","","","","","","1.074","","","","has coordinates","305377","2026-04-05","12:09:39",""
"7720131","12.2252","0.0002","14.9241","0.0003","16.2146","0.0003","90","","111.767","0.002","90","","2747.42","0.1","102","2","102","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C31 H17 Cl2 Co N4 O5 -","- C31 H17 Cl2 Co N4 O5 -","- C124 H68 Cl8 Co4 N16 O20 -","4","0.5","","Torić, Filip; Androš Dubraja, Lidija; Herak, Mirta; Novosel, Nikolina; Petreska, Irina; Molčanov, Krešimir; Žilić, Dijana","Magneto-structural correlations in cobalt(II)-phenanthroline compounds with chloranilic acid.","Dalton transactions (Cambridge, England : 2003)","2026","55","9","3840","3852","10.1039/d5dt02533h","","","1.54184","CuKα","","0.0362","0.035","","","","0.0959","","","","","","1.059","","","","has coordinates,has disorder","305377","2026-04-05","12:09:39",""
"7720132","12.3162","0.0001","15.0215","0.0001","16.4187","0.0001","90","","111.838","0.001","90","","2819.61","0.04","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C31 H20 Cl2 Co N4 O5 -","- C30.5 H20 Cl2 Co N4 O5 -","- C122 H80 Cl8 Co4 N16 O20 -","4","0.5","","Torić, Filip; Androš Dubraja, Lidija; Herak, Mirta; Novosel, Nikolina; Petreska, Irina; Molčanov, Krešimir; Žilić, Dijana","Magneto-structural correlations in cobalt(II)-phenanthroline compounds with chloranilic acid.","Dalton transactions (Cambridge, England : 2003)","2026","55","9","3840","3852","10.1039/d5dt02533h","","","1.54184","CuKα","","0.0325","0.0319","","","","0.0905","","","","","","1.085","","","","has coordinates,has disorder","305377","2026-04-05","12:09:39",""
"7720133","12.3226","0.0003","15.5674","0.0003","16.4143","0.0003","90","","111.865","0.002","90","","2922.26","0.11","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H20 Cl2 Co N4 O6 -","- C32 H20 Cl2 Co N4 O6 -","- C128 H80 Cl8 Co4 N16 O24 -","4","0.5","","Torić, Filip; Androš Dubraja, Lidija; Herak, Mirta; Novosel, Nikolina; Petreska, Irina; Molčanov, Krešimir; Žilić, Dijana","Magneto-structural correlations in cobalt(II)-phenanthroline compounds with chloranilic acid.","Dalton transactions (Cambridge, England : 2003)","2026","55","9","3840","3852","10.1039/d5dt02533h","","","1.54184","CuKα","","0.0511","0.0487","","","","0.1588","","","","","","1.056","","","","has coordinates,has disorder","305377","2026-04-05","12:09:39",""
"7720134","12.3227","0.0002","15.5712","0.0002","16.4092","0.0002","90","","111.845","0.002","90","","2922.5","0.08","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H22 Cl2 Co N4 O5 -","- C32 H22 Cl2 Co N4 O5 -","- C128 H88 Cl8 Co4 N16 O20 -","4","0.5","","Torić, Filip; Androš Dubraja, Lidija; Herak, Mirta; Novosel, Nikolina; Petreska, Irina; Molčanov, Krešimir; Žilić, Dijana","Magneto-structural correlations in cobalt(II)-phenanthroline compounds with chloranilic acid.","Dalton transactions (Cambridge, England : 2003)","2026","55","9","3840","3852","10.1039/d5dt02533h","","","1.54184","CuKα","","0.0453","0.0417","","","","0.1253","","","","","","1.022","","","","has coordinates,has disorder","305377","2026-04-05","12:09:39",""
"7720135","17.337","0.002","17.337","0.002","18.389","0.004","90","","90","","120","","4786.7","1.3","150","","150","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C33 H33 Bi N3 O9 -","- C33 H33 Bi N3 O9 -","- C198 H198 Bi6 N18 O54 -","6","0.333333","","Yang, Ai; Cao, Hong; Lyu, Jie; Ding, Wenbing; Liao, Jiali; Yang, Yuanyou; Liu, Ning; Li, Feize","A bismuth-based metal-organic framework with potential application in organic pollutant removal.","Dalton transactions (Cambridge, England : 2003)","2026","55","10","4288","4297","10.1039/d5dt03050a","","","0.71073","MoKα","","0.0797","0.0452","","","0.0991","0.1183","","","","","","1.077","","","","has coordinates,has disorder","305363","2026-04-05","12:03:39",""
"7720136","17.68875","0.00019","17.4738","0.0002","26.8601","0.0003","90","","90","","90","","8302.18","0.16","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C34 H35 Ag6 F9 N2 O6 -","- C34 H35 Ag6 F9 N2 O6 -","- C272 H280 Ag48 F72 N16 O48 -","8","1","","Han, Jing; Hou, Yue; Yu, Zhong; Chen, Yi-Xuan; Xue, Jian-Fei; Zhang, Yue-Juan; Gao, Lei; Wan, Yi","Infection microenvironment-responsive composites based on a Ag(I) complex for targeted antimicrobial treatment.","Dalton transactions (Cambridge, England : 2003)","2026","55","8","3323","3335","10.1039/d5dt02724a","","","1.54184","CuKα","","0.1167","0.1115","","","0.2448","0.2473","","","","","","1.192","","","","has coordinates,has disorder","304911","2026-03-05","12:49:51",""
"7720137","20.964","0.01","18.802","0.008","7.305","0.004","90","","91.246","0.011","90","","2879","2","180","","180","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C47.4 H68.8 N14 O17.6 -","- C37 H48 N14 O15 -","- C74 H96 N28 O30 -","2","0.25","","Sun, Zhiwen; Wang, Ji; Nie, Qingling; Li, Na; Liu, Zhihua; Yang, Xiao-Juan; Zhao, Wei; Wu, Biao","Bicarbonate anion coordination assisted CO<sub>2</sub> capture by using urea-morpholine hybrid receptors in water.","Dalton transactions (Cambridge, England : 2003)","2026","55","9","3703","3708","10.1039/d5dt03056k","","","0.71073","MoKα","","0.1208","0.0841","","","0.202","0.2274","","","","","","1.037","","","","has coordinates,has disorder","304927","2026-03-05","12:57:15",""
"7720138","5.5769","0.0013","9.0107","0.0018","17.242","0.004","84.098","0.006","89.986","0.007","87.342","0.007","860.9","0.3","180","","180","","","","","","","","","4","P -1","-P 1","2","","","","- C14 H28 N6 O4 -","- C14 H28 N6 O4 -","- C28 H56 N12 O8 -","2","1","","Sun, Zhiwen; Wang, Ji; Nie, Qingling; Li, Na; Liu, Zhihua; Yang, Xiao-Juan; Zhao, Wei; Wu, Biao","Bicarbonate anion coordination assisted CO<sub>2</sub> capture by using urea-morpholine hybrid receptors in water.","Dalton transactions (Cambridge, England : 2003)","2026","55","9","3703","3708","10.1039/d5dt03056k","","","0.71073","MoKα","","0.1311","0.0568","","","0.1192","0.1434","","","","","","0.995","","","","has coordinates","304927","2026-03-05","12:57:15",""
"7720139","33.884","0.005","7.6616","0.001","20.711","0.003","90","","121.71","0.004","90","","4574.1","1.1","180","","180","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C38 H50 N14 O18 -","- C38 H50 N14 O18 -","- C152 H200 N56 O72 -","4","0.5","","Sun, Zhiwen; Wang, Ji; Nie, Qingling; Li, Na; Liu, Zhihua; Yang, Xiao-Juan; Zhao, Wei; Wu, Biao","Bicarbonate anion coordination assisted CO<sub>2</sub> capture by using urea-morpholine hybrid receptors in water.","Dalton transactions (Cambridge, England : 2003)","2026","55","9","3703","3708","10.1039/d5dt03056k","","","0.71073","MoKα","","0.1091","0.0722","","","0.1691","0.1959","","","","","","1.043","","","","has coordinates,has disorder","304927","2026-03-05","12:57:15",""
"7720140","21.455","0.007","5.2126","0.0019","21.007","0.008","90","","104.83","0.01","90","","2271.1","1.4","180","","180","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C9 H12 N3 O4 S -","- C9 H12 N3 O4 S -","- C72 H96 N24 O32 S8 -","8","1","","Sun, Zhiwen; Wang, Ji; Nie, Qingling; Li, Na; Liu, Zhihua; Yang, Xiao-Juan; Zhao, Wei; Wu, Biao","Bicarbonate anion coordination assisted CO<sub>2</sub> capture by using urea-morpholine hybrid receptors in water.","Dalton transactions (Cambridge, England : 2003)","2026","55","9","3703","3708","10.1039/d5dt03056k","","","0.71073","MoKα","","0.1726","0.0655","","","0.1291","0.1618","","","","","","0.984","","","","has coordinates","304927","2026-03-05","12:57:15",""
"7720141","10.0998","0.0002","16.9706","0.0004","11.3101","0.0003","90","","95.853","0.002","90","","1928.44","0.08","200","0.1","200","0.1","","","","","","","","8","P 1 n 1","P -2yac","7","","","","- C37 H39 B Cl2 N7 O2 P W -","- C37 H39 B Cl2 N7 O2 P W -","- C74 H78 B2 Cl4 N14 O4 P2 W2 -","2","1","","Foglia, Lucas G.; Kirk, Ryan M.; Hill, Anthony F.","Two approaches to phosphaniminocarbyne complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","10","4057","4061","10.1039/d6dt00303f","","x-ray","1.54184","CuKα","","0.0678","0.0595","","","0.1483","0.1579","","","","","","1.042","","","","has coordinates","305360","2026-04-05","12:01:47",""
"7720142","9.5122","0.0004","11.852","0.0004","8.2378","0.0003","90","","99.47","0.002","90","","916.06","0.06","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- K2 Mo O10 S2 -","- K2 Mo O10 S2 -","- K8 Mo4 O40 S8 -","4","1","","Wessels, Vivien; Baldauf, Jasper Arne; Pöttgen, Rainer; Höppe, Henning A","Stratified sulfatometallates: unlocking a new dimension in sulfatomolybdates.","Dalton transactions (Cambridge, England : 2003)","2026","55","9","3723","3732","10.1039/d5dt03061g","","","0.71073","MoKα","","0.0387","0.0276","","","0.0634","0.0683","","","","","","1.104","","","","has coordinates","304923","2026-03-05","12:55:56",""
"7720143","12.6264","0.0007","7.8092","0.0005","16.715","0.0011","90","","90","","90","","1648.13","0.18","373","2","373","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- Mo Na2 O10 S2 -","- Mo Na1.925 O10 S2 -","- Mo8 Na15.4 O80 S16 -","8","1","","Wessels, Vivien; Baldauf, Jasper Arne; Pöttgen, Rainer; Höppe, Henning A","Stratified sulfatometallates: unlocking a new dimension in sulfatomolybdates.","Dalton transactions (Cambridge, England : 2003)","2026","55","9","3723","3732","10.1039/d5dt03061g","","","0.71073","MoKα","","0.0464","0.0387","","","0.0916","0.0982","","","","","","1.133","","","","has coordinates","304923","2026-03-05","12:55:56",""
"7720144","12.6106","0.0002","16.6905","0.0003","7.8176","0.0004","90","","90.076","0.001","90","","1645.43","0.09","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- Mo Na2 O10 S2 -","- Mo Na2.00545 O10 S2 -","- Mo8 Na16.0436 O80 S16 -","8","2","","Wessels, Vivien; Baldauf, Jasper Arne; Pöttgen, Rainer; Höppe, Henning A","Stratified sulfatometallates: unlocking a new dimension in sulfatomolybdates.","Dalton transactions (Cambridge, England : 2003)","2026","55","9","3723","3732","10.1039/d5dt03061g","","x-ray","0.71073","MoKα","","0.1335","0.0771","","","0.138","0.169","","","","2.1473","2.1473","1.8436","","","","has coordinates","304923","2026-03-05","12:55:56",""
"7720145","16.3277","0.0011","17.4691","0.001","25.4513","0.0018","90","","107.328","0.002","90","","6930","0.8","100","2","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C57.1 H94.4 Al2 K2 N8 Si4 -","- C48 H84 Al2 K2 N8 Si4 -","- C192 H336 Al8 K8 N32 Si16 -","4","0.5","","Mandal, Chhotan; Kundu, Abhishek; Panda, Sourav; Mukherjee, Debabrata","The behavior of potassium follows that of calcium in heterobimetallic 'K-H-Al' hydrides on a picolyl-derived chemically non-innocent triaza ligand.","Dalton transactions (Cambridge, England : 2003)","2026","55","9","3934","3942","10.1039/d6dt00079g","","","0.71073","MoKα","","0.0488","0.0413","","","0.1191","0.1267","","","","","","1.055","","","","has coordinates","304920","2026-03-05","12:55:00",""
"7720146","11.0463","0.0007","11.957","0.0007","14.8732","0.0008","111.533","0.002","99.527","0.002","96.346","0.002","1770.46","0.18","100","2","100","","","","","","","","","6","P -1","-P 1","2","","","","- C60 H114 Al2 K2 N8 Si4 -","- C60 H114 Al2 K2 N8 Si4 -","- C60 H114 Al2 K2 N8 Si4 -","1","0.5","","Mandal, Chhotan; Kundu, Abhishek; Panda, Sourav; Mukherjee, Debabrata","The behavior of potassium follows that of calcium in heterobimetallic 'K-H-Al' hydrides on a picolyl-derived chemically non-innocent triaza ligand.","Dalton transactions (Cambridge, England : 2003)","2026","55","9","3934","3942","10.1039/d6dt00079g","","","0.71073","MoKα","","0.051","0.0491","","","0.1301","0.1322","","","","","","1.083","","","","has coordinates","304920","2026-03-05","12:55:00",""
"7720147","19.076","0.001","19.076","0.001","20.9168","0.0013","90","","90","","90","","7611.5","0.7","100","2","100","","","","","","","","","6","I -4","I -4","82","","","","- C120 H220 Al4 K4 N16 Si8 -","- C120 H220 Al4 K4 N16 Si8 -","- C240 H440 Al8 K8 N32 Si16 -","2","0.25","","Mandal, Chhotan; Kundu, Abhishek; Panda, Sourav; Mukherjee, Debabrata","The behavior of potassium follows that of calcium in heterobimetallic 'K-H-Al' hydrides on a picolyl-derived chemically non-innocent triaza ligand.","Dalton transactions (Cambridge, England : 2003)","2026","55","9","3934","3942","10.1039/d6dt00079g","","","0.71073","MoKα","","0.0829","0.0522","","","0.1239","0.1408","","","","","","0.991","","","","has coordinates","304920","2026-03-05","12:55:00",""
"7720148","25.9955","0.0003","6.5239","0.0001","20.5807","0.0002","90","","99.349","0.001","90","","3443.96","0.07","100","2","100.15","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C18 H26 Al N3 -","- C18 H26 Al N3 -","- C144 H208 Al8 N24 -","8","1","","Mandal, Chhotan; Kundu, Abhishek; Panda, Sourav; Mukherjee, Debabrata","The behavior of potassium follows that of calcium in heterobimetallic 'K-H-Al' hydrides on a picolyl-derived chemically non-innocent triaza ligand.","Dalton transactions (Cambridge, England : 2003)","2026","55","9","3934","3942","10.1039/d6dt00079g","","","1.54184","CuKα","","0.0359","0.0353","","","0.0914","0.0917","","","","","","1.096","","","","has coordinates","304920","2026-03-05","12:55:00",""
"7720149","16.8615","0.0002","10.6144","0.0001","19.4612","0.0003","90","","104.688","0.001","90","","3369.24","0.07","101","2","101.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H50 Al Li N6 -","- C36 H50 Al Li N6 -","- C144 H200 Al4 Li4 N24 -","4","0.5","","Mandal, Chhotan; Kundu, Abhishek; Panda, Sourav; Mukherjee, Debabrata","The behavior of potassium follows that of calcium in heterobimetallic 'K-H-Al' hydrides on a picolyl-derived chemically non-innocent triaza ligand.","Dalton transactions (Cambridge, England : 2003)","2026","55","9","3934","3942","10.1039/d6dt00079g","","","1.54184","CuKα","","0.0479","0.0455","","","0.116","0.1181","","","","","","1.071","","","","has coordinates","304920","2026-03-05","12:55:00",""
"7720150","19.8485","0.0001","13.6232","0.0001","14.216","0.0001","90","","104.661","0.001","90","","3718.85","0.05","100","0.1","100.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H56 Al K N4 Si2 -","- C34 H56 Al K N4 Si2 -","- C136 H224 Al4 K4 N16 Si8 -","4","1","","Mandal, Chhotan; Kundu, Abhishek; Panda, Sourav; Mukherjee, Debabrata","The behavior of potassium follows that of calcium in heterobimetallic 'K-H-Al' hydrides on a picolyl-derived chemically non-innocent triaza ligand.","Dalton transactions (Cambridge, England : 2003)","2026","55","9","3934","3942","10.1039/d6dt00079g","","","1.54184","CuKα","","0.042","0.0411","","","0.111","0.1116","","","","","","1.079","","","","has coordinates,has disorder","304920","2026-03-05","12:55:00",""
"7720151","28.8599","0.0001","28.8599","0.0001","14.5034","0.0001","90","","90","","90","","12079.8","0.1","100.03","0.19","100.15","","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C48 H88 Al2 K2 N8 Si4 -","- C48 H88 Al2 K2 N8 Si4 -","- C384 H704 Al16 K16 N64 Si32 -","8","1","","Mandal, Chhotan; Kundu, Abhishek; Panda, Sourav; Mukherjee, Debabrata","The behavior of potassium follows that of calcium in heterobimetallic 'K-H-Al' hydrides on a picolyl-derived chemically non-innocent triaza ligand.","Dalton transactions (Cambridge, England : 2003)","2026","55","9","3934","3942","10.1039/d6dt00079g","","","1.54184","CuKα","","0.0559","0.0492","","","0.1313","0.1364","","","","","","1.057","","","","has coordinates,has disorder","304920","2026-03-05","12:55:00",""
"7720152","7.7038","0.0005","8.3595","0.0005","12.6218","0.0008","90","","98.133","0.003","90","","804.67","0.09","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H10 Br6 N4 Tc -","- C6 H10 Br6 N4 Tc -","- C12 H20 Br12 N8 Tc2 -","2","0.5","","Novikov, Anton P.; Volkov, Mikhail A.; Grigoriev, Mikhail S.","Crystallographic insights into (ImHR)<sub>2</sub>[TcBr<sub>6</sub>] (Im = imidazole, R = H, Me, Et): non-covalent interactions and mass spectrometry.","Dalton transactions (Cambridge, England : 2003)","2026","55","9","3990","3999","10.1039/d5dt03046c","","","0.71073","MoKα","","0.0369","0.0267","","","0.0554","0.0585","","","","","","1.042","","","","has coordinates","304928","2026-03-05","12:57:34",""
"7720153","7.8599","0.0006","16.0412","0.0013","7.2519","0.0006","90","","90","","90","","914.34","0.13","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C8 H14 Br6 N4 Tc -","- C8 H14 Br6 N4 Tc -","- C16 H28 Br12 N8 Tc2 -","2","0.5","","Novikov, Anton P.; Volkov, Mikhail A.; Grigoriev, Mikhail S.","Crystallographic insights into (ImHR)<sub>2</sub>[TcBr<sub>6</sub>] (Im = imidazole, R = H, Me, Et): non-covalent interactions and mass spectrometry.","Dalton transactions (Cambridge, England : 2003)","2026","55","9","3990","3999","10.1039/d5dt03046c","","","0.71073","MoKα","","0.0471","0.0359","","","0.0773","0.0809","","","","","","1.05","","","","has coordinates","304928","2026-03-05","12:57:35",""
"7720154","7.9083","0.0019","13.088","0.004","10.176","0.002","90","","107.329","0.008","90","","1005.4","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H18 Br6 N4 Tc -","- C10 H18 Br6 N4 Tc -","- C20 H36 Br12 N8 Tc2 -","2","0.5","","Novikov, Anton P.; Volkov, Mikhail A.; Grigoriev, Mikhail S.","Crystallographic insights into (ImHR)<sub>2</sub>[TcBr<sub>6</sub>] (Im = imidazole, R = H, Me, Et): non-covalent interactions and mass spectrometry.","Dalton transactions (Cambridge, England : 2003)","2026","55","9","3990","3999","10.1039/d5dt03046c","","","0.71073","MoKα","","0.0726","0.0347","","","0.0577","0.0668","","","","","","1.012","","","","has coordinates","304928","2026-03-05","12:57:35",""
"7720155","7.7095","0.0008","7.9065","0.0008","8.0783","0.0008","79.107","0.005","86.065","0.005","66.969","0.005","444.99","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C4 H7 Br3 N2 Tc0.5 -","- C4 H7 Br3 N2 Tc0.5 -","- C8 H14 Br6 N4 Tc -","2","1","","Novikov, Anton P.; Volkov, Mikhail A.; Grigoriev, Mikhail S.","Crystallographic insights into (ImHR)<sub>2</sub>[TcBr<sub>6</sub>] (Im = imidazole, R = H, Me, Et): non-covalent interactions and mass spectrometry.","Dalton transactions (Cambridge, England : 2003)","2026","55","9","3990","3999","10.1039/d5dt03046c","","","0.71073","MoKα","","0.0368","0.0282","","","0.0679","0.0705","","","","","","1.041","","","","has coordinates","304928","2026-03-05","12:57:35",""
"7720156","9.6752","0.0002","10.7882","0.0002","14.0437","0.0003","108.002","0.002","106.685","0.002","99.913","0.002","1279.47","0.05","100","2","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C27 H29 Cl2 Co N5 O2 -","- C27 H29 Cl2 Co N5 O2 -","- C54 H58 Cl4 Co2 N10 O4 -","2","1","","Malinová, Nikoleta; Pavlik, Ján; Kotrle, Kamil; Nemec, Ivan; Dubaj, Tibor; Brachňaková, Barbora; Ruben, Mario; Šalitroš, Ivan","Unveiling field-induced single-ion magnetism in pentacoordinate and heptacoordinate cobalt(II), dysprosium(III) and terbium(III) complexes with a tridentate bis(benzimidazole)pyridine ligand.","Dalton transactions (Cambridge, England : 2003)","2026","55","9","3975","3989","10.1039/d5dt02849c","","x-ray","1.54184","CuKα","","0.0279","0.0273","","","0.0685","0.0688","","","","","","1.022","","","","has coordinates,has disorder","304919","2026-03-05","12:54:34",""
"7720157","17.3533","0.00008","9.42593","0.00005","16.64539","0.00008","90","","93.5465","0.0004","90","","2717.49","0.02","100","0.16","100","0.16","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C27 H29 Co N7 O8 -","- C27 H29 Co N7 O8 -","- C108 H116 Co4 N28 O32 -","4","1","","Malinová, Nikoleta; Pavlik, Ján; Kotrle, Kamil; Nemec, Ivan; Dubaj, Tibor; Brachňaková, Barbora; Ruben, Mario; Šalitroš, Ivan","Unveiling field-induced single-ion magnetism in pentacoordinate and heptacoordinate cobalt(II), dysprosium(III) and terbium(III) complexes with a tridentate bis(benzimidazole)pyridine ligand.","Dalton transactions (Cambridge, England : 2003)","2026","55","9","3975","3989","10.1039/d5dt02849c","","x-ray","1.54184","CuKα","","0.0295","0.0286","","","0.0746","0.0752","","","","","","1.041","","","","has coordinates","304919","2026-03-05","12:54:35",""
"7720158","10.0187","0.0006","10.3728","0.0005","14.5974","0.0008","84.316","0.004","72.513","0.005","75.452","0.004","1400.04","0.14","180","","180","","","","","","","","","6","P -1","-P 1","2","","","","- C27 H30 Cl3 Dy N5 O3 -","- C27 H30 Cl3 Dy N5 O3 -","- C54 H60 Cl6 Dy2 N10 O6 -","2","1","","Malinová, Nikoleta; Pavlik, Ján; Kotrle, Kamil; Nemec, Ivan; Dubaj, Tibor; Brachňaková, Barbora; Ruben, Mario; Šalitroš, Ivan","Unveiling field-induced single-ion magnetism in pentacoordinate and heptacoordinate cobalt(II), dysprosium(III) and terbium(III) complexes with a tridentate bis(benzimidazole)pyridine ligand.","Dalton transactions (Cambridge, England : 2003)","2026","55","9","3975","3989","10.1039/d5dt02849c","","x-ray","0.71073","MoKα","","0.0642","0.0532","","","0.1229","0.1295","","","","","","1.014","","","","has coordinates","304919","2026-03-05","12:54:35",""
"7720159","9.9786","0.0001","10.9336","0.0001","13.9927","0.0002","108.807","0.001","103.928","0.001","103.593","0.001","1318.94","0.03","99.99","0.1","99.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C27 H29 Br2 Co N5 O2 -","- C27 H29 Br2 Co N5 O2 -","- C54 H58 Br4 Co2 N10 O4 -","2","1","","Malinová, Nikoleta; Pavlik, Ján; Kotrle, Kamil; Nemec, Ivan; Dubaj, Tibor; Brachňaková, Barbora; Ruben, Mario; Šalitroš, Ivan","Unveiling field-induced single-ion magnetism in pentacoordinate and heptacoordinate cobalt(II), dysprosium(III) and terbium(III) complexes with a tridentate bis(benzimidazole)pyridine ligand.","Dalton transactions (Cambridge, England : 2003)","2026","55","9","3975","3989","10.1039/d5dt02849c","","","1.54184","CuKα","","0.0295","0.0288","","","0.0775","0.0779","","","","","","1.027","","","","has coordinates","304919","2026-03-05","12:54:35",""
"7720160","10.0638","0.0006","10.3747","0.0005","14.6603","0.0008","84.715","0.004","72.647","0.005","75.763","0.005","1415.83","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H31 Cl3 N5 O3 Tb -","- C27 H31 Cl3 N5 O3 Tb -","- C54 H62 Cl6 N10 O6 Tb2 -","2","1","","Malinová, Nikoleta; Pavlik, Ján; Kotrle, Kamil; Nemec, Ivan; Dubaj, Tibor; Brachňaková, Barbora; Ruben, Mario; Šalitroš, Ivan","Unveiling field-induced single-ion magnetism in pentacoordinate and heptacoordinate cobalt(II), dysprosium(III) and terbium(III) complexes with a tridentate bis(benzimidazole)pyridine ligand.","Dalton transactions (Cambridge, England : 2003)","2026","55","9","3975","3989","10.1039/d5dt02849c","","x-ray","0.71073","MoKα","","0.0399","0.0386","","","0.095","0.096","","","","","","1.063","","","","has coordinates","304919","2026-03-05","12:54:35",""
"7720161","8.0498","0.0005","9.2749","0.0005","10.7779","0.0008","72.752","0.006","68.422","0.006","87.908","0.005","712.26","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C5 Bi Mn N5 S5 -","- C5 Bi Mn N5 S5 -","- C10 Bi2 Mn2 N10 S10 -","2","1","","Rich, David; Rai, Khusbu; Upreti, Dinesh; Hu, Jin; Wang, Fei; Wang, Jian","Synthesis, crystal growth, and optical and magnetic properties of three bimetallic thiocyanates TBi(SCN)<sub>5</sub> (T = Mn, Cd) and FeBi(SCN)<sub>6</sub>.","Dalton transactions (Cambridge, England : 2003)","2026","55","9","3909","3916","10.1039/d5dt02869h","","x-ray","0.71073","MoKα","","0.0556","0.0355","","","0.0579","0.0621","","","","","","1.005","","","","has coordinates","304921","2026-03-05","12:55:11",""
"7720162","8.1528","0.0005","9.4088","0.0007","10.9513","0.0008","73.312","0.006","67.963","0.006","87.879","0.006","743.51","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C5 Bi Cd N5 S5 -","- C5 Bi Cd N5 S5 -","- C10 Bi2 Cd2 N10 S10 -","2","1","","Rich, David; Rai, Khusbu; Upreti, Dinesh; Hu, Jin; Wang, Fei; Wang, Jian","Synthesis, crystal growth, and optical and magnetic properties of three bimetallic thiocyanates TBi(SCN)<sub>5</sub> (T = Mn, Cd) and FeBi(SCN)<sub>6</sub>.","Dalton transactions (Cambridge, England : 2003)","2026","55","9","3909","3916","10.1039/d5dt02869h","","x-ray","0.71073","MoKα","","0.0771","0.0456","","","0.0816","0.0894","","","","","","1.04","","","","has coordinates","304921","2026-03-05","12:55:11",""
"7720163","11.1604","0.0004","10.953","0.0003","24.039","0.0007","90","","93.217","0.003","90","","2933.89","0.16","298","","298","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C17 H12 N6 O -","- C17 H12 N6 O -","- C136 H96 N48 O8 -","8","2","","Navitha, S.; Wilfred Raj, A. S. W.; Sree Brindha, S.; Ravi, M.; Dallemer, F.; Prabusankar, G.; Prabhakaran, R.","Cytotoxic effect of ruthenium-arene complexes containing tetrazolo[1,5-<i>a</i>] quinoline derivatives on cervical (HeLa), lung (A549), and colon (HCT116) cancer cell lines.","Dalton transactions (Cambridge, England : 2003)","2026","55","9","3943","3966","10.1039/d5dt02830b","","x-ray","1.54184","CuKα","","0.1093","0.0958","","","0.2451","0.2614","","","","","","1.052","","","","has coordinates","304925","2026-03-05","12:56:36",""
"7720164","12.368","0.001","9.5721","0.0007","27.193","0.003","90","","95.157","0.008","90","","3206.3","0.5","298","","298","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C36 H31 N12 O2 -","- C36 H31 N12 O2 -","- C144 H124 N48 O8 -","4","1","","Navitha, S.; Wilfred Raj, A. S. W.; Sree Brindha, S.; Ravi, M.; Dallemer, F.; Prabusankar, G.; Prabhakaran, R.","Cytotoxic effect of ruthenium-arene complexes containing tetrazolo[1,5-<i>a</i>] quinoline derivatives on cervical (HeLa), lung (A549), and colon (HCT116) cancer cell lines.","Dalton transactions (Cambridge, England : 2003)","2026","55","9","3943","3966","10.1039/d5dt02830b","","x-ray","0.71073","MoKα","","0.1178","0.0927","","","0.2298","0.2641","","","","","","1.075","","","","has coordinates","304925","2026-03-05","12:56:40",""
"7720165","15.4757","0.0003","7.25309","0.00017","14.7604","0.0003","90","","99.521","0.002","90","","1633.98","0.06","295","","295","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 N6 O -","- C18 H14 N6 O -","- C72 H56 N24 O4 -","4","1","","Navitha, S.; Wilfred Raj, A. S. W.; Sree Brindha, S.; Ravi, M.; Dallemer, F.; Prabusankar, G.; Prabhakaran, R.","Cytotoxic effect of ruthenium-arene complexes containing tetrazolo[1,5-<i>a</i>] quinoline derivatives on cervical (HeLa), lung (A549), and colon (HCT116) cancer cell lines.","Dalton transactions (Cambridge, England : 2003)","2026","55","9","3943","3966","10.1039/d5dt02830b","","x-ray","1.54184","CuKα","","0.0419","0.0386","","","0.1137","0.1184","","","","","","1.035","","","","has coordinates","304925","2026-03-05","12:56:41",""
"7720166","15.677","0.006","12.279","0.004","18.058","0.006","90","","110.978","0.011","90","","3246","2","298","","298","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","Ru6AQHS","","- C30 H31 Cl F6 N7 O P Ru -","- C28 H28 Cl F6 N6 O P Ru -","- C112 H112 Cl4 F24 N24 O4 P4 Ru4 -","4","1","","Navitha, S.; Wilfred Raj, A. S. W.; Sree Brindha, S.; Ravi, M.; Dallemer, F.; Prabusankar, G.; Prabhakaran, R.","Cytotoxic effect of ruthenium-arene complexes containing tetrazolo[1,5-<i>a</i>] quinoline derivatives on cervical (HeLa), lung (A549), and colon (HCT116) cancer cell lines.","Dalton transactions (Cambridge, England : 2003)","2026","55","9","3943","3966","10.1039/d5dt02830b","","","0.71073","MoKα","","0.0684","0.0398","","","0.0928","0.1036","","","","","","1.047","","","","has coordinates,has disorder","304925","2026-03-05","12:56:41",""
"7720167","13.9012","0.0005","14.0666","0.0005","16.3814","0.0007","73.373","0.004","81.873","0.004","72.862","0.003","2927.3","0.2","298","","298","","","","","","","","","8","P -1","-P 1","2","","","","- C54 H52 Cl2 F12 N12 O2 P2 Ru2 -","- C54 H52 Cl2 F12 N12 O2 P2 Ru2 -","- C108 H104 Cl4 F24 N24 O4 P4 Ru4 -","2","1","","Navitha, S.; Wilfred Raj, A. S. W.; Sree Brindha, S.; Ravi, M.; Dallemer, F.; Prabusankar, G.; Prabhakaran, R.","Cytotoxic effect of ruthenium-arene complexes containing tetrazolo[1,5-<i>a</i>] quinoline derivatives on cervical (HeLa), lung (A549), and colon (HCT116) cancer cell lines.","Dalton transactions (Cambridge, England : 2003)","2026","55","9","3943","3966","10.1039/d5dt02830b","","x-ray","1.54184","CuKα","","0.093","0.054","","","0.123","0.1527","","","","","","1.059","","","","has coordinates,has disorder","304925","2026-03-05","12:56:41",""
"7720168","15.1423","0.0007","12.4364","0.0004","18.4876","0.0007","90","","109.515","0.004","90","","3281.5","0.2","293","","293","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C30 H31 Cl F6 N7 O P Ru -","- C30 H31 Cl F6 N7 O P Ru -","- C120 H124 Cl4 F24 N28 O4 P4 Ru4 -","4","1","","Navitha, S.; Wilfred Raj, A. S. W.; Sree Brindha, S.; Ravi, M.; Dallemer, F.; Prabusankar, G.; Prabhakaran, R.","Cytotoxic effect of ruthenium-arene complexes containing tetrazolo[1,5-<i>a</i>] quinoline derivatives on cervical (HeLa), lung (A549), and colon (HCT116) cancer cell lines.","Dalton transactions (Cambridge, England : 2003)","2026","55","9","3943","3966","10.1039/d5dt02830b","","x-ray","0.71073","MoKα","","0.0958","0.064","","","0.1598","0.1796","","","","","","1.058","","","","has coordinates,has disorder","304925","2026-03-05","12:56:41",""
"7720169","15.2446","0.0003","12.5987","0.0002","17.8877","0.0003","90","","104.363","0.002","90","","3328.17","0.11","295","","295","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C30 H31 Cl F6 N7 O P Ru -","- C30 H31 Cl F6 N7 O P Ru -","- C120 H124 Cl4 F24 N28 O4 P4 Ru4 -","4","1","","Navitha, S.; Wilfred Raj, A. S. W.; Sree Brindha, S.; Ravi, M.; Dallemer, F.; Prabusankar, G.; Prabhakaran, R.","Cytotoxic effect of ruthenium-arene complexes containing tetrazolo[1,5-<i>a</i>] quinoline derivatives on cervical (HeLa), lung (A549), and colon (HCT116) cancer cell lines.","Dalton transactions (Cambridge, England : 2003)","2026","55","9","3943","3966","10.1039/d5dt02830b","","x-ray","0.71073","MoKα","","0.0692","0.0436","","","0.091","0.1051","","","","","","1.045","","","","has coordinates,has disorder","304925","2026-03-05","12:56:41",""
"7720170","14.363","0.003","16.665","0.004","30.03","0.007","90","","91.896","0.004","90","","7184","3","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41.5 H51 Cu N3 O -","- C41.5 H51 Cu N3 O -","- C332 H408 Cu8 N24 O8 -","8","2","","Chakraborty, Soumi; Mao, Erqian; Gray, Thomas G.; Teets, Thomas S.","Luminescent N-heterocyclic carbene Cu(I) complexes with N^O chelating ligands exhibit microsecond lifetimes and photocatalytic activity.","Dalton transactions (Cambridge, England : 2003)","2026","55","7","2908","2918","10.1039/d5dt02991k","","","0.71073","MoKα","","0.06","0.0468","","","0.1228","0.1306","","","","","","1.036","","","","has coordinates","304485","2026-02-18","00:06:54",""
"7720171","10.437","0.003","15.572","0.005","21.915","0.007","90","","102.75","0.004","90","","3473.9","1.9","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H44 Cu N3 O -","- C40 H44 Cu N3 O -","- C160 H176 Cu4 N12 O4 -","4","1","","Chakraborty, Soumi; Mao, Erqian; Gray, Thomas G.; Teets, Thomas S.","Luminescent N-heterocyclic carbene Cu(I) complexes with N^O chelating ligands exhibit microsecond lifetimes and photocatalytic activity.","Dalton transactions (Cambridge, England : 2003)","2026","55","7","2908","2918","10.1039/d5dt02991k","","","0.71073","MoKα","","0.0587","0.04","","","0.0901","0.0987","","","","","","1.036","","","","has coordinates","304485","2026-02-18","00:06:54",""
"7720172","14.9664","0.0005","12.5079","0.0004","12.8946","0.0006","90","","112.313","0.002","90","","2233.11","0.15","180","2","180","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C13 H20 F6 O10 Ru2 -","- C13 H20 F6 O10 Ru2 -","- C52 H80 F24 O40 Ru8 -","4","0.5","","Huang, Wen-Hui; Liang, Qian-Qian; Shi, Zi-Chen; Yang, Jian-Hui; Liu, Bin","A step-by-step structural transformation of the Ru-Ru bonding unit from a paddle-wheel to edge-sharing bi-octahedra configuration.","Dalton transactions (Cambridge, England : 2003)","2026","55","7","3011","3018","10.1039/d5dt02334c","","","0.71073","MoKα","","0.0967","0.0457","","","0.1054","0.1294","","","","","","1.09","","","","has coordinates","304486","2026-02-18","00:07:35",""
"7720173","14.2457","0.0009","9.0514","0.0005","18.7279","0.0011","90","","94.729","0.002","90","","2406.6","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 F12 O10 Ru2 -","- C16 H14 F12 O10 Ru2 -","- C64 H56 F48 O40 Ru8 -","4","1","","Huang, Wen-Hui; Liang, Qian-Qian; Shi, Zi-Chen; Yang, Jian-Hui; Liu, Bin","A step-by-step structural transformation of the Ru-Ru bonding unit from a paddle-wheel to edge-sharing bi-octahedra configuration.","Dalton transactions (Cambridge, England : 2003)","2026","55","7","3011","3018","10.1039/d5dt02334c","","","1.34139","GaKα","","0.0789","0.0667","","","0.1601","0.1683","","","","","","0.906","","","","has coordinates","304486","2026-02-18","00:07:36",""
"7720174","8.408","0.019","17.66","0.04","8.367","0.019","90","","99.14","0.1","90","","1227","5","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 F6 O10 Ru2 -","- C18 H18 F6 O10 Ru2 -","- C36 H36 F12 O20 Ru4 -","2","0.5","","Huang, Wen-Hui; Liang, Qian-Qian; Shi, Zi-Chen; Yang, Jian-Hui; Liu, Bin","A step-by-step structural transformation of the Ru-Ru bonding unit from a paddle-wheel to edge-sharing bi-octahedra configuration.","Dalton transactions (Cambridge, England : 2003)","2026","55","7","3011","3018","10.1039/d5dt02334c","","","1.34138","GaKα","","0.106","0.0817","","","0.1943","0.2071","","","","","","1.015","","","","has coordinates","304486","2026-02-18","00:07:36",""
"7720175","8.2762","0.0005","10.0303","0.0006","10.1906","0.0006","75.829","0.003","79.539","0.003","74.383","0.003","783.84","0.08","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H26 Cl2 F6 O10 Ru2 -","- C28 H26 Cl2 F6 O10 Ru2 -","- C28 H26 Cl2 F6 O10 Ru2 -","1","0.5","","Huang, Wen-Hui; Liang, Qian-Qian; Shi, Zi-Chen; Yang, Jian-Hui; Liu, Bin","A step-by-step structural transformation of the Ru-Ru bonding unit from a paddle-wheel to edge-sharing bi-octahedra configuration.","Dalton transactions (Cambridge, England : 2003)","2026","55","7","3011","3018","10.1039/d5dt02334c","","","1.34139","GaKα","","0.0748","0.0544","","","0.1289","0.1401","","","","","","1.109","","","","has coordinates","304486","2026-02-18","00:07:36",""
"7720176","7.9104","0.0007","17.5278","0.0015","17.9103","0.0017","90","","90.068","0.005","90","","2483.3","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 F6 O10 Ru2 -","- C18 H21 F6 O10 Ru2 -","- C72 H84 F24 O40 Ru8 -","4","1","","Huang, Wen-Hui; Liang, Qian-Qian; Shi, Zi-Chen; Yang, Jian-Hui; Liu, Bin","A step-by-step structural transformation of the Ru-Ru bonding unit from a paddle-wheel to edge-sharing bi-octahedra configuration.","Dalton transactions (Cambridge, England : 2003)","2026","55","7","3011","3018","10.1039/d5dt02334c","","","1.34139","GaKα","","0.1154","0.0529","","","0.1105","0.1308","","","","","","1.041","","","","has coordinates","304486","2026-02-18","00:07:36",""
"7720177","9.6208","0.0004","11.5287","0.0005","15.1896","0.0006","88.524","0.002","84.275","0.002","80.366","0.002","1652.64","0.12","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H26 Cl2 F6 O10 Ru2 -","- C28 H26 Cl2.002 F6 O10 Ru2 -","- C56 H52 Cl4.004 F12 O20 Ru4 -","2","1","","Huang, Wen-Hui; Liang, Qian-Qian; Shi, Zi-Chen; Yang, Jian-Hui; Liu, Bin","A step-by-step structural transformation of the Ru-Ru bonding unit from a paddle-wheel to edge-sharing bi-octahedra configuration.","Dalton transactions (Cambridge, England : 2003)","2026","55","7","3011","3018","10.1039/d5dt02334c","","","1.34139","GaKα","","0.0559","0.0368","","","0.0776","0.0851","","","","","","1.037","","","","has coordinates,has disorder","304486","2026-02-18","00:07:36",""
"7720178","6.6071","0.0004","7.9107","0.0005","10.3623","0.0006","110.66","0.003","97.406","0.003","90.598","0.003","501.63","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C7 H13 N5 O4 -","- C7 H13 N5 O4 -","- C14 H26 N10 O8 -","2","1","","Polo, Alvaro; García-Orduña, Pilar; Echeverría, Jorge; Sanz Miguel, Pablo J.","Unveiling n → π* interactions: convergence of quantum crystallography and computational insights.","Dalton transactions (Cambridge, England : 2003)","2026","55","7","2825","2832","10.1039/d5dt02386f","","","0.71073","MoKα","","0.0425","0.0375","","","0.1031","0.1074","","","","","","1.061","","","","has coordinates","304487","2026-02-18","00:08:23",""
"7720179","6.5053","0.0003","7.8928","0.0004","9.8692","0.0005","68.6656","0.0014","77.5428","0.0014","87.0433","0.0015","460.7","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H13 Cl N4 O -","- C7 H13 Cl N4 O -","- C14 H26 Cl2 N8 O2 -","2","1","","Polo, Alvaro; García-Orduña, Pilar; Echeverría, Jorge; Sanz Miguel, Pablo J.","Unveiling n → π* interactions: convergence of quantum crystallography and computational insights.","Dalton transactions (Cambridge, England : 2003)","2026","55","7","2825","2832","10.1039/d5dt02386f","","","0.71073","MoKα","","0.0276","0.0274","","","0.0691","0.0693","","","","","","1.086","","","","has coordinates","304487","2026-02-18","00:08:24",""
"7720180","11.7204","0.0008","8.8224","0.0006","10.381","0.0007","90","","90.9287","0.0009","90","","1073.28","0.13","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H11 N5 O4 -","- C8 H11 N5 O4 -","- C32 H44 N20 O16 -","4","1","","Polo, Alvaro; García-Orduña, Pilar; Echeverría, Jorge; Sanz Miguel, Pablo J.","Unveiling n → π* interactions: convergence of quantum crystallography and computational insights.","Dalton transactions (Cambridge, England : 2003)","2026","55","7","2825","2832","10.1039/d5dt02386f","","","0.71073","MoKα","","0.0537","0.0382","","","0.0858","0.0959","","","","","","1.028","","","","has coordinates,has disorder","304487","2026-02-18","00:08:24",""
"7720181","13.5822","0.0005","6.6192","0.0002","16.0458","0.0007","90","","109.382","0.0015","90","","1360.81","0.09","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H19 Cl N4 O4 -","- C9 H19 Cl N4 O4 -","- C36 H76 Cl4 N16 O16 -","4","1","","Polo, Alvaro; García-Orduña, Pilar; Echeverría, Jorge; Sanz Miguel, Pablo J.","Unveiling n → π* interactions: convergence of quantum crystallography and computational insights.","Dalton transactions (Cambridge, England : 2003)","2026","55","7","2825","2832","10.1039/d5dt02386f","","","0.71073","MoKα","","0.0507","0.0432","","","0.1225","0.1301","","","","","","1.044","","","","has coordinates","304487","2026-02-18","00:08:24",""
"7720182","11.2219","0.0009","14.8838","0.0013","6.4028","0.0005","90","","102.403","0.0011","90","","1044.46","0.15","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H13 Cl N4 O2 -","- C8 H13 Cl N4 O2 -","- C32 H52 Cl4 N16 O8 -","4","1","","Polo, Alvaro; García-Orduña, Pilar; Echeverría, Jorge; Sanz Miguel, Pablo J.","Unveiling n → π* interactions: convergence of quantum crystallography and computational insights.","Dalton transactions (Cambridge, England : 2003)","2026","55","7","2825","2832","10.1039/d5dt02386f","","","0.71073","MoKα","","0.0349","0.0311","","","0.0839","0.0868","","","","","","1.054","","","","has coordinates","304487","2026-02-18","00:08:24",""
"7720183","11.3493","0.0007","11.5417","0.0007","8.4397","0.0005","90","","90","","90","","1105.52","0.12","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C8 H11 I N4 O -","- C8 H11 I N4 O -","- C32 H44 I4 N16 O4 -","4","1","","Polo, Alvaro; García-Orduña, Pilar; Echeverría, Jorge; Sanz Miguel, Pablo J.","Unveiling n → π* interactions: convergence of quantum crystallography and computational insights.","Dalton transactions (Cambridge, England : 2003)","2026","55","7","2825","2832","10.1039/d5dt02386f","","","0.71073","MoKα","","0.011","0.011","","","0.0271","0.0271","","","","","","1.069","","","","has coordinates","304487","2026-02-18","00:08:24",""
"7720184","11.45","0.0003","15.0573","0.0004","6.4762","0.0002","90","","103.116","0.0009","90","","1087.41","0.05","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H13 Br N4 O2 -","- C8 H13 Br N4 O2 -","- C32 H52 Br4 N16 O8 -","4","1","","Polo, Alvaro; García-Orduña, Pilar; Echeverría, Jorge; Sanz Miguel, Pablo J.","Unveiling n → π* interactions: convergence of quantum crystallography and computational insights.","Dalton transactions (Cambridge, England : 2003)","2026","55","7","2825","2832","10.1039/d5dt02386f","","","0.71073","MoKα","","0.02","0.0198","","","0.0529","0.053","","","","","","1.083","","","","has coordinates","304487","2026-02-18","00:08:25",""
"7720185","11.4461","0.0005","15.0792","0.0007","6.4594","0.0003","90","","103.232","0.001","90","","1085.28","0.09","100","","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H12.6 Br N4 O1.8 -","- C8 H12.6 Br N4 O1.8 -","- C32 H50.4 Br4 N16 O7.2 -","4","1","","Polo, Alvaro; García-Orduña, Pilar; Echeverría, Jorge; Sanz Miguel, Pablo J.","Unveiling n → π* interactions: convergence of quantum crystallography and computational insights.","Dalton transactions (Cambridge, England : 2003)","2026","55","7","2825","2832","10.1039/d5dt02386f","","","0.71073","MoKα","","0.0143","0.0143","","","0.0329","0.033","","","","","","1.022","","","","has coordinates","304487","2026-02-18","00:08:25",""
"7720186","10.8695","0.0002","31.6715","0.0004","25.596","0.0005","90","","100.159","0.002","90","","8673.4","0.3","150","","150","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C92.5 H69 Cl Cu2 I2 N4 P4 -","- C92 H68 Cu2 I2 N4 P4 -","- C368 H272 Cu8 I8 N16 P16 -","4","1","","Li, Shi-Ji; Liu, Li; Zhong, Xin-Xin; Li, Fa-Bao; Li, Feng-Yan; Qin, Hai-Mei","Dinuclear copper(I) halide complexes containing unsymmetric diphosphine: structure, photophysical and photocatalytic hydrogen production properties.","Dalton transactions (Cambridge, England : 2003)","2026","55","7","3043","3054","10.1039/d5dt02914g","","x-ray","1.54184","CuKα","","0.068","0.0611","","","0.1885","0.1961","","","","","","1.086","","","","has coordinates","304488","2026-02-18","00:09:15",""
"7720187","13.9102","0.0008","17.6178","0.0008","17.7983","0.0009","98.066","0.004","98.273","0.005","112.512","0.005","3895.3","0.4","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C92 H68 Cl2 Cu2 N4 P4 -","- C92 H68 Cl2 Cu2 N4 P4 -","- C184 H136 Cl4 Cu4 N8 P8 -","2","1","","Li, Shi-Ji; Liu, Li; Zhong, Xin-Xin; Li, Fa-Bao; Li, Feng-Yan; Qin, Hai-Mei","Dinuclear copper(I) halide complexes containing unsymmetric diphosphine: structure, photophysical and photocatalytic hydrogen production properties.","Dalton transactions (Cambridge, England : 2003)","2026","55","7","3043","3054","10.1039/d5dt02914g","","x-ray","1.54184","CuKα","","0.1492","0.0821","","","0.1892","0.229","","","","","","1.033","","","","has coordinates","304488","2026-02-18","00:09:15",""
"7720188","10.7953","0.0002","31.6104","0.0004","25.5744","0.0006","90","","99.677","0.002","90","","8602.9","0.3","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C92 H68 Br2 Cu2 N4 P4 -","- C92 H68 Br2 Cu2 N4 P4 -","- C368 H272 Br8 Cu8 N16 P16 -","4","1","","Li, Shi-Ji; Liu, Li; Zhong, Xin-Xin; Li, Fa-Bao; Li, Feng-Yan; Qin, Hai-Mei","Dinuclear copper(I) halide complexes containing unsymmetric diphosphine: structure, photophysical and photocatalytic hydrogen production properties.","Dalton transactions (Cambridge, England : 2003)","2026","55","7","3043","3054","10.1039/d5dt02914g","","x-ray","1.54184","CuKα","","0.06","0.0479","","","0.1372","0.1471","","","","","","1.068","","","","has coordinates","304488","2026-02-18","00:09:16",""
"7720189","16.29","0.003","16.118","0.003","16.455","0.003","90","","90.84","0.03","90","","4320","1.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H43 Eu N10 O11 -","- C40 H43 Eu N10 O11 -","- C160 H172 Eu4 N40 O44 -","4","1","","Avagyan, Nane A.; Zonov, Roman V.; Lemport, Pavel S.; Polikovskiy, Trofim A.; Metlin, Mikhail T.; Taydakov, Ilya V.; Averin, Alexei D.; Roznyatovsky, Vitaly A.; Simochkina, Anastasia I.; Danshina, Anastasia A.; Nelyubina, Yulia V.; Vokuev, Mikhail F.; Rodin, Igor A.; Ustynyuk, Yuri A.; Nenajdenko, Valentine G.","Sterically crowded phenanthrolinediamides: conformational behavior and photophysics of their complexes with an Eu-Gd-Tb triad.","Dalton transactions (Cambridge, England : 2003)","2026","55","7","3055","3072","10.1039/d5dt02745d","","","0.71073","MoKα","","0.0646","0.0446","","","0.0877","0.094","","","","","","1.069","","","","has coordinates","304489","2026-02-18","00:10:18",""
"7720190","14.1554","0.0002","14.3468","0.0002","15.5469","0.0002","87.636","0.001","84.514","0.001","65.906","0.001","2869.05","0.07","100","0.1","100.15","","","","","","","","","4","P -1","-P 1","2","","","","- C34 H35 N4 O2.5 -","- C34 H35 N4 O2.5 -","- C136 H140 N16 O10 -","4","2","","Avagyan, Nane A.; Zonov, Roman V.; Lemport, Pavel S.; Polikovskiy, Trofim A.; Metlin, Mikhail T.; Taydakov, Ilya V.; Averin, Alexei D.; Roznyatovsky, Vitaly A.; Simochkina, Anastasia I.; Danshina, Anastasia A.; Nelyubina, Yulia V.; Vokuev, Mikhail F.; Rodin, Igor A.; Ustynyuk, Yuri A.; Nenajdenko, Valentine G.","Sterically crowded phenanthrolinediamides: conformational behavior and photophysics of their complexes with an Eu-Gd-Tb triad.","Dalton transactions (Cambridge, England : 2003)","2026","55","7","3055","3072","10.1039/d5dt02745d","","","1.54184","CuKα","","0.0601","0.0528","","","0.1395","0.1456","","","","","","1.023","","","","has coordinates,has disorder","304489","2026-02-18","00:10:19",""
"7720191","16.2488","0.0004","16.1155","0.0004","16.4363","0.0005","90","","90.78","0.001","90","","4303.6","0.2","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H43 Gd N10 O11 -","- C40 H43 Gd N10 O11 -","- C160 H172 Gd4 N40 O44 -","4","1","","Avagyan, Nane A.; Zonov, Roman V.; Lemport, Pavel S.; Polikovskiy, Trofim A.; Metlin, Mikhail T.; Taydakov, Ilya V.; Averin, Alexei D.; Roznyatovsky, Vitaly A.; Simochkina, Anastasia I.; Danshina, Anastasia A.; Nelyubina, Yulia V.; Vokuev, Mikhail F.; Rodin, Igor A.; Ustynyuk, Yuri A.; Nenajdenko, Valentine G.","Sterically crowded phenanthrolinediamides: conformational behavior and photophysics of their complexes with an Eu-Gd-Tb triad.","Dalton transactions (Cambridge, England : 2003)","2026","55","7","3055","3072","10.1039/d5dt02745d","","x-ray","0.71073","MoKα","","0.0377","0.0279","","","0.0649","0.0707","","","","","","1.024","","","","has coordinates","304489","2026-02-18","00:10:19",""
"7720192","16.2361","0.0006","16.1028","0.0004","16.4455","0.0005","90","","90.9758","0.0012","90","","4299","0.2","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H43 N10 O11 Tb -","- C40 H43 N10 O11 Tb -","- C160 H172 N40 O44 Tb4 -","4","1","","Avagyan, Nane A.; Zonov, Roman V.; Lemport, Pavel S.; Polikovskiy, Trofim A.; Metlin, Mikhail T.; Taydakov, Ilya V.; Averin, Alexei D.; Roznyatovsky, Vitaly A.; Simochkina, Anastasia I.; Danshina, Anastasia A.; Nelyubina, Yulia V.; Vokuev, Mikhail F.; Rodin, Igor A.; Ustynyuk, Yuri A.; Nenajdenko, Valentine G.","Sterically crowded phenanthrolinediamides: conformational behavior and photophysics of their complexes with an Eu-Gd-Tb triad.","Dalton transactions (Cambridge, England : 2003)","2026","55","7","3055","3072","10.1039/d5dt02745d","","x-ray","0.71073","MoKα","","0.0471","0.0316","","","0.0658","0.0731","","","","","","1.016","","","","has coordinates","304489","2026-02-18","00:10:19",""
"7720193","8.5688","0.0009","11.382","0.0012","15.1663","0.0016","108.959","0.003","93.759","0.003","100.386","0.003","1363.7","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H28 N6 S2 Sn -","- C30 H28 N6 S2 Sn -","- C60 H56 N12 S4 Sn2 -","2","1","","Labutskaya, Liliya D.; Klok, Varvara A.; Krylova, Irina V.; Shangin, Pavel G.; Minyaev, Mikhail E.; Tretyakov, Evgeny V.; Syroeshkin, Mikhail A.; Egorov, Mikhail P.; Nikolaevskaya, Elena N.","Spectroscopic and electrochemical studies of tin(IV) complexes with noninnocent N<sub>2</sub>S<sub>2</sub> and N<sub>2</sub>O<sub>2</sub> ligands based on acenaphthene.","Dalton transactions (Cambridge, England : 2003)","2026","55","7","3073","3086","10.1039/d5dt02688a","","","0.71073","MoKα","","0.1201","0.0649","","","0.1262","0.1498","","","","","","1.023","","","","has coordinates","304490","2026-02-18","00:10:38",""
"7720194","62.1004","0.0015","16.0479","0.0006","7.9027","0.0003","90","","90","","90","","7875.7","0.5","169.98","0.1","169.98","0.1","","","","","","","","5","F d d 2","F 2 -2d","43","","oxo-t-butoxo-[N''-(2-oxo-3-methoxybenzylidene)nicotinoylhydrazonato]vanadium(v) polymer","","- C18 H20 N3 O5 V -","- C18 H20 N3 O5 V -","- C288 H320 N48 O80 V16 -","16","1","","Topić, Edi; Sarjanović, Josipa; Kuzman, Dino; Cocut, Andrea; Hrenar, Tomica; Pisk, Jana; Vrdoljak, Višnja","Nicotinoyl hydrazone-directed vanadium assemblies: metallosupramolecular isomerism, polymorphism, and catalytic oxidation performance.","Dalton transactions (Cambridge, England : 2003)","2026","55","10","4237","4249","10.1039/d5dt03088a","","x-ray","1.54184","CuKα","","0.0409","0.0376","","","0.0976","0.0995","","","","","","1.029","","","","has coordinates","305362","2026-04-05","12:03:28",""
"7720195","17.8876","0.0002","15.6647","0.0002","13.3744","0.0001","90","","100.076","0.001","90","","3689.76","0.07","169.99","0.1","169.99","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","oxo-n-butoxo-[N''-(2-oxo-3-methoxybenzylidene)nicotinoylhydrazonato]vanadium(v) polymer form alpha","","- C18 H20 N3 O5 V -","- C18 H20 N3 O5 V -","- C144 H160 N24 O40 V8 -","8","2","","Topić, Edi; Sarjanović, Josipa; Kuzman, Dino; Cocut, Andrea; Hrenar, Tomica; Pisk, Jana; Vrdoljak, Višnja","Nicotinoyl hydrazone-directed vanadium assemblies: metallosupramolecular isomerism, polymorphism, and catalytic oxidation performance.","Dalton transactions (Cambridge, England : 2003)","2026","55","10","4237","4249","10.1039/d5dt03088a","","x-ray","1.54184","CuKα","","0.0402","0.0364","","","0.0966","0.0989","","","","","","1.047","","","","has coordinates","305362","2026-04-05","12:03:28",""
"7720196","10.336","0.0002","14.3043","0.0002","15.0552","0.0003","87.419","0.001","75.757","0.002","76.596","0.001","2098.54","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","oxo-n-pentoxo-[N''-(2-oxo-3-methoxybenzylidene)nicotinoylhydrazonato]vanadium(v) polymer form beta","","- C76 H88 N12 O20 V4 -","- C76 H88 N12 O20 V4 -","- C76 H88 N12 O20 V4 -","1","0.5","","Topić, Edi; Sarjanović, Josipa; Kuzman, Dino; Cocut, Andrea; Hrenar, Tomica; Pisk, Jana; Vrdoljak, Višnja","Nicotinoyl hydrazone-directed vanadium assemblies: metallosupramolecular isomerism, polymorphism, and catalytic oxidation performance.","Dalton transactions (Cambridge, England : 2003)","2026","55","10","4237","4249","10.1039/d5dt03088a","","x-ray","1.54184","CuKα","","0.07","0.0608","","","0.1978","0.2091","","","","","","1.055","","","","has coordinates,has disorder","305362","2026-04-05","12:03:28",""
"7720197","15.7349","0.0002","19.5409","0.0003","26.1973","0.0004","102.874","0.001","100.023","0.001","108.932","0.001","7157.8","0.2","173.4","0.4","173.4","0.4","","","","","","","","5","P -1","-P 1","2","","oxo-n-propoxo-[N''-(2-oxo-3-methoxybenzylidene)nicotinoylhydrazonato]vanadium(v) tetramer","","- C68 H72 N12 O20 V4 -","- C68 H72 N12 O20 V4 -","- C272 H288 N48 O80 V16 -","4","2","","Topić, Edi; Sarjanović, Josipa; Kuzman, Dino; Cocut, Andrea; Hrenar, Tomica; Pisk, Jana; Vrdoljak, Višnja","Nicotinoyl hydrazone-directed vanadium assemblies: metallosupramolecular isomerism, polymorphism, and catalytic oxidation performance.","Dalton transactions (Cambridge, England : 2003)","2026","55","10","4237","4249","10.1039/d5dt03088a","","x-ray","1.54184","CuKα","","0.1618","0.1521","","","0.4032","0.4076","","","","","","1.084","","","","has coordinates","305362","2026-04-05","12:03:28",""
"7720198","25.3304","0.0008","25.3304","0.0008","15.9617","0.0006","90","","90","","120","","8869.4","0.5","169.98","0.1","169.98","0.1","","","","","","","","5","R -3 :H","-R 3","148","","oxo-n-butoxo-[N''-(2-oxo-3-methoxybenzylidene)nicotinoylhydrazonato]vanadium(v) polymer form beta","","- C18 H19 N3 O5 V -","- C18 H19 N3 O5 V -","- C324 H342 N54 O90 V18 -","18","1","","Topić, Edi; Sarjanović, Josipa; Kuzman, Dino; Cocut, Andrea; Hrenar, Tomica; Pisk, Jana; Vrdoljak, Višnja","Nicotinoyl hydrazone-directed vanadium assemblies: metallosupramolecular isomerism, polymorphism, and catalytic oxidation performance.","Dalton transactions (Cambridge, England : 2003)","2026","55","10","4237","4249","10.1039/d5dt03088a","","x-ray","1.54184","CuKα","","0.0812","0.0712","","","0.2031","0.2145","","","","","","1.086","","","","has coordinates,has disorder","305362","2026-04-05","12:03:28",""
"7720199","11.4973","0.0007","10.8105","0.0005","26.3388","0.0019","90","","102.323","0.007","90","","3198.3","0.3","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","oxo-methoxo-[N''-(2-oxo-3-methoxybenzylidene)nicotinoylhydrazonato]vanadium(v) polymer","","- C15 H14 N3 O5 V -","- C15 H14 N3 O5 V -","- C120 H112 N24 O40 V8 -","8","2","","Topić, Edi; Sarjanović, Josipa; Kuzman, Dino; Cocut, Andrea; Hrenar, Tomica; Pisk, Jana; Vrdoljak, Višnja","Nicotinoyl hydrazone-directed vanadium assemblies: metallosupramolecular isomerism, polymorphism, and catalytic oxidation performance.","Dalton transactions (Cambridge, England : 2003)","2026","55","10","4237","4249","10.1039/d5dt03088a","","x-ray","0.71073","MoKα","","0.1679","0.0636","","","0.1242","0.1648","","","","","","0.994","","","","has coordinates","305362","2026-04-05","12:03:28",""
"7720200","16.1589","0.0005","7.457","0.0002","30.2326","0.0007","90","","90","","90","","3642.94","0.17","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","oxo-n-propoxo-[N''-(2-oxo-3-methoxybenzylidene)nicotinoylhydrazonato]vanadium(v) polymer form beta","","- C17 H18 N3 O5 V -","- C17 H18 N3 O5 V -","- C136 H144 N24 O40 V8 -","8","2","","Topić, Edi; Sarjanović, Josipa; Kuzman, Dino; Cocut, Andrea; Hrenar, Tomica; Pisk, Jana; Vrdoljak, Višnja","Nicotinoyl hydrazone-directed vanadium assemblies: metallosupramolecular isomerism, polymorphism, and catalytic oxidation performance.","Dalton transactions (Cambridge, England : 2003)","2026","55","10","4237","4249","10.1039/d5dt03088a","","x-ray","1.54184","CuKα","","0.0949","0.0677","","","0.1712","0.1933","","","","","","1.025","","","","has coordinates,has disorder","305362","2026-04-05","12:03:28",""
"7720201","10.4796","0.0002","24.295","0.0006","14.3185","0.0003","90","","101.686","0.002","90","","3569.95","0.14","169.98","0.1","169.98","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 N3 O5 V -","- C17 H18 N3 O5 V -","- C136 H144 N24 O40 V8 -","8","2","","Topić, Edi; Sarjanović, Josipa; Kuzman, Dino; Cocut, Andrea; Hrenar, Tomica; Pisk, Jana; Vrdoljak, Višnja","Nicotinoyl hydrazone-directed vanadium assemblies: metallosupramolecular isomerism, polymorphism, and catalytic oxidation performance.","Dalton transactions (Cambridge, England : 2003)","2026","55","10","4237","4249","10.1039/d5dt03088a","","x-ray","1.54184","CuKα","","0.0334","0.0295","","","0.0777","0.0796","","","","","","1.05","","","","has coordinates","305362","2026-04-05","12:03:28",""
"7720202","11.8838","0.0003","10.7455","0.0003","26.4644","0.0007","90","","93.011","0.002","90","","3374.77","0.16","169.98","0.1","169.98","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","oxo-ethoxo-[N''-(2-oxo-3-methoxybenzylidene)nicotinoylhydrazonato]vanadium(v) polymer","","- C16 H16 N3 O5 V -","- C16 H16 N3 O5 V -","- C128 H128 N24 O40 V8 -","8","2","","Topić, Edi; Sarjanović, Josipa; Kuzman, Dino; Cocut, Andrea; Hrenar, Tomica; Pisk, Jana; Vrdoljak, Višnja","Nicotinoyl hydrazone-directed vanadium assemblies: metallosupramolecular isomerism, polymorphism, and catalytic oxidation performance.","Dalton transactions (Cambridge, England : 2003)","2026","55","10","4237","4249","10.1039/d5dt03088a","","x-ray","1.54184","CuKα","","0.055","0.0476","","","0.1311","0.1395","","","","","","1.107","","","","has coordinates","305362","2026-04-05","12:03:28",""
"7720203","15.746","0.0002","13.503","0.0001","34.1126","0.0004","90","","90","","90","","7252.96","0.14","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","oxo-n-propoxo-[N''-(2-oxo-3-methoxybenzylidene)nicotinoylhydrazonato]vanadium(v) polymer form alpha","","- C17 H18 N3 O5 V -","- C17 H18 N3 O5 V -","- C272 H288 N48 O80 V16 -","16","2","","Topić, Edi; Sarjanović, Josipa; Kuzman, Dino; Cocut, Andrea; Hrenar, Tomica; Pisk, Jana; Vrdoljak, Višnja","Nicotinoyl hydrazone-directed vanadium assemblies: metallosupramolecular isomerism, polymorphism, and catalytic oxidation performance.","Dalton transactions (Cambridge, England : 2003)","2026","55","10","4237","4249","10.1039/d5dt03088a","","x-ray","1.54184","CuKα","","0.0549","0.0452","","","0.1316","0.1398","","","","","","1.051","","","","has coordinates,has disorder","305362","2026-04-05","12:03:28",""
"7720204","10.3272","0.0001","14.262","0.0001","14.4277","0.0001","78.535","0.001","76.59","0.001","76.531","0.001","1986.54","0.03","169.99","0.1","169.99","0.1","","","","","","","","5","P -1","-P 1","2","","oxo-n-pentoxo-[N''-(2-oxo-3-methoxybenzylidene)nicotinoylhydrazonato]vanadium(v) polymer","","- C76 H88 N12 O20 V4 -","- C76 H88 N12 O20 V4 -","- C76 H88 N12 O20 V4 -","1","0.5","","Topić, Edi; Sarjanović, Josipa; Kuzman, Dino; Cocut, Andrea; Hrenar, Tomica; Pisk, Jana; Vrdoljak, Višnja","Nicotinoyl hydrazone-directed vanadium assemblies: metallosupramolecular isomerism, polymorphism, and catalytic oxidation performance.","Dalton transactions (Cambridge, England : 2003)","2026","55","10","4237","4249","10.1039/d5dt03088a","","x-ray","1.54184","CuKα","","0.0347","0.0329","","","0.0905","0.0916","","","","","","1.083","","","","has coordinates","305362","2026-04-05","12:03:28",""
"7720205","11.1571","0.0002","13.8853","0.0003","16.6309","0.0003","84.104","0.002","88.812","0.002","78.965","0.002","2515.44","0.09","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C48 H41 Fe2 N15 S6 -","- C48 H41 Fe2 N15 S6 -","- C96 H82 Fe4 N30 S12 -","2","1","","Becker, Jens-Georg; Sundaresan, Sriram; Hochdörffer, Tim; Wolny, Juliusz A.; Carrella, Luca M.; Schünemann, Volker; Rentschler, Eva","Sub lattice driven spin state ordering and coordination elasticity in Fe(II) 1,3,4-thiadiazole complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","7","2833","2844","10.1039/d5dt02912k","","","0.71073","MoKα","","0.0461","0.0381","","","0.0917","0.097","","","","","","1.029","","","","has coordinates,has disorder","304493","2026-02-18","00:12:17",""
"7720206","31.237","0.002","12.1599","0.0006","17.6916","0.0012","90","","107.101","0.005","90","","6422.9","0.7","230","","230","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H32.5 B2 Fe N9.5 S -","- C28 H32.5 B2 Fe N9.5 S -","- C224 H260 B16 Fe8 N76 S8 -","8","1","","Becker, Jens-Georg; Sundaresan, Sriram; Hochdörffer, Tim; Wolny, Juliusz A.; Carrella, Luca M.; Schünemann, Volker; Rentschler, Eva","Sub lattice driven spin state ordering and coordination elasticity in Fe(II) 1,3,4-thiadiazole complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","7","2833","2844","10.1039/d5dt02912k","","","0.71073","MoKα","","0.0616","0.0558","","","0.161","0.1675","","","","","","1.037","","","","has coordinates,has disorder","304493","2026-02-18","00:12:18",""
"7720207","30.9617","0.0007","12.1406","0.0002","17.1318","0.0004","90","","107.055","0.002","90","","6156.5","0.2","120","","120","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C29 H34 B2 Fe N9.5 S -","- C29 H34 B2 Fe N9.5 S -","- C232 H272 B16 Fe8 N76 S8 -","8","1","","Becker, Jens-Georg; Sundaresan, Sriram; Hochdörffer, Tim; Wolny, Juliusz A.; Carrella, Luca M.; Schünemann, Volker; Rentschler, Eva","Sub lattice driven spin state ordering and coordination elasticity in Fe(II) 1,3,4-thiadiazole complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","7","2833","2844","10.1039/d5dt02912k","","","0.71073","MoKα","","0.0595","0.0573","","","0.1661","0.1679","","","","","","1.111","","","","has coordinates,has disorder","304493","2026-02-18","00:12:18",""
"7720208","11.203","0.007","14.143","0.011","16.91","0.013","84.3","0.06","89.04","0.06","79.39","0.06","2620","3","240","","240","","","","","","","","","5","P -1","-P 1","2","","","","- C48 H41 Fe2 N15 S6 -","- C48 H41 Fe2 N15 S6 -","- C96 H82 Fe4 N30 S12 -","2","1","","Becker, Jens-Georg; Sundaresan, Sriram; Hochdörffer, Tim; Wolny, Juliusz A.; Carrella, Luca M.; Schünemann, Volker; Rentschler, Eva","Sub lattice driven spin state ordering and coordination elasticity in Fe(II) 1,3,4-thiadiazole complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","7","2833","2844","10.1039/d5dt02912k","","","0.71073","MoKα","","0.1551","0.054","","","0.1225","0.1507","","","","","","0.871","","","","has coordinates,has disorder","304493","2026-02-18","00:12:18",""
"7720209","31.3953","0.0013","11.8669","0.0005","17.468","0.0006","90","","107.895","0.003","90","","6193.1","0.4","120","","120","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H26.5 Fe N9.5 S Se2 -","- C27 H25 Fe N9 S Se2 -","- C216 H200 Fe8 N72 S8 Se16 -","8","1","","Becker, Jens-Georg; Sundaresan, Sriram; Hochdörffer, Tim; Wolny, Juliusz A.; Carrella, Luca M.; Schünemann, Volker; Rentschler, Eva","Sub lattice driven spin state ordering and coordination elasticity in Fe(II) 1,3,4-thiadiazole complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","7","2833","2844","10.1039/d5dt02912k","","","0.71073","MoKα","","0.0829","0.062","","","0.1552","0.1678","","","","","","1.083","","","","has coordinates,has disorder","304493","2026-02-18","00:12:18",""
"7720210","9.2193","0.0005","13.6159","0.0008","13.7054","0.0008","88.222","0.002","78.591","0.002","74.893","0.002","1627.77","0.16","100","2","100.15","","","","","","","","","8","P -1","-P 1","2","","","","- C64 H50 Cl6 Cu2 I2 N6 O2 P2 -","- C64 H50 Cl6 Cu2 I2 N6 O2 P2 -","- C64 H50 Cl6 Cu2 I2 N6 O2 P2 -","1","0.5","","Gusev, Alexey; Kiskin, Mikhail; Braga, Elena; Zamnius, Ekaterina; Zakharov, Konstantin; Tyutyunik, Andrey; Vlasenko, Valery; Zueva, Ekaterina; Petrova, Maria; Linert, Wolfgang","Diverse structures and emission properties of copper(I) iodide complexes based on an oxadiazole-type ligand.","Dalton transactions (Cambridge, England : 2003)","2026","55","7","3138","3151","10.1039/d5dt02744f","","","0.71073","MoKα","","0.0629","0.0413","","","0.07","0.0813","","","","","","1.034","","","","has coordinates,has disorder","304494","2026-02-18","00:13:00",""
"7720211","31.569","0.007","12.141","0.003","14.223","0.003","90","","103.726","0.005","90","","5296","2","150","","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H21 Cu I N7 O2 -","- C28 H21 Cu I N7 O2 -","- C224 H168 Cu8 I8 N56 O16 -","8","1","","Gusev, Alexey; Kiskin, Mikhail; Braga, Elena; Zamnius, Ekaterina; Zakharov, Konstantin; Tyutyunik, Andrey; Vlasenko, Valery; Zueva, Ekaterina; Petrova, Maria; Linert, Wolfgang","Diverse structures and emission properties of copper(I) iodide complexes based on an oxadiazole-type ligand.","Dalton transactions (Cambridge, England : 2003)","2026","55","7","3138","3151","10.1039/d5dt02744f","","","0.71073","MoKα","","0.1095","0.0508","","","0.1118","0.1422","","","","","","0.985","","","","has coordinates","304494","2026-02-18","00:13:00",""
"7720212","9.8465","0.0007","13.3286","0.0011","33.4218","0.0016","90","","93.9","0.002","90","","4376.1","0.5","100","2","100.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C50 H44 Cu I N3 O2 P2 -","- C50 H44 Cu I N3 O2 P2 -","- C200 H176 Cu4 I4 N12 O8 P8 -","4","1","","Gusev, Alexey; Kiskin, Mikhail; Braga, Elena; Zamnius, Ekaterina; Zakharov, Konstantin; Tyutyunik, Andrey; Vlasenko, Valery; Zueva, Ekaterina; Petrova, Maria; Linert, Wolfgang","Diverse structures and emission properties of copper(I) iodide complexes based on an oxadiazole-type ligand.","Dalton transactions (Cambridge, England : 2003)","2026","55","7","3138","3151","10.1039/d5dt02744f","","","0.71073","MoKα","","0.0723","0.0458","","","0.0926","0.1137","","","","","","1.028","","","","has coordinates","304494","2026-02-18","00:13:01",""
"7720213","11.0011","0.0013","8.2803","0.0009","14.8098","0.0016","90","","104.035","0.002","90","","1308.8","0.3","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 Cu I N3 O -","- C13 H9 Cu I N3 O -","- C52 H36 Cu4 I4 N12 O4 -","4","1","","Gusev, Alexey; Kiskin, Mikhail; Braga, Elena; Zamnius, Ekaterina; Zakharov, Konstantin; Tyutyunik, Andrey; Vlasenko, Valery; Zueva, Ekaterina; Petrova, Maria; Linert, Wolfgang","Diverse structures and emission properties of copper(I) iodide complexes based on an oxadiazole-type ligand.","Dalton transactions (Cambridge, England : 2003)","2026","55","7","3138","3151","10.1039/d5dt02744f","","","0.71073","MoKα","","0.0212","0.02","","","0.0494","0.05","","","","","","1.058","","","","has coordinates","304494","2026-02-18","00:13:01",""
"7720214","22.971","0.002","4.8498","0.0004","26.049","0.002","90","","92.15","0.002","90","","2899.9","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H10 B2 O4 S -","- C16 H10 B2 O4 S -","- C128 H80 B16 O32 S8 -","8","1","","Li, Xiaoning; Boyt, James; Cai, Min; Sloope, Steven; Lackovic, Luke T.; Smith, Mark D.; Lavigne, John J.","Boronate esters for the binding and detection of low molecular weight volatile amines.","Dalton transactions (Cambridge, England : 2003)","2026","55","7","3120","3126","10.1039/d5dt02760h","","","0.71073","MoKα","","0.0411","0.0374","","","0.0932","0.096","","","","","","1.063","","","","has coordinates","304495","2026-02-18","00:13:25",""
"7720215","22.0779","0.0012","14.3138","0.0007","17.346","0.0009","90","","104.518","0.001","90","","5306.6","0.5","100","2","100","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C49 H82 B2 Cl3 D F2 N2 O4 S -","- C49 H82 B2 Cl3 D F2 N2 O4 S -","- C196 H328 B8 Cl12 D4 F8 N8 O16 S4 -","4","1","","Li, Xiaoning; Boyt, James; Cai, Min; Sloope, Steven; Lackovic, Luke T.; Smith, Mark D.; Lavigne, John J.","Boronate esters for the binding and detection of low molecular weight volatile amines.","Dalton transactions (Cambridge, England : 2003)","2026","55","7","3120","3126","10.1039/d5dt02760h","","","0.71073","MoKα","","0.0664","0.0471","","","0.1197","0.1292","","","","","","1.01","","","","has coordinates","304495","2026-02-18","00:13:26",""
"7720216","26.0629","0.0003","26.0629","0.0003","7.2745","0.0002","90","","90","","90","","4941.38","0.16","140","2","140","2","","","","","","","","6","P 42 b c","P 4c -2ab","106","","","","- C25 H12 Cd F8 N2 O5 -","- C24 H8 Cd F8 N2 O4 -","- C192 H64 Cd8 F64 N16 O32 -","8","1","","Burlak, Pavel V.; Cheplakova, Anastasia M.; Samsonenko, Denis G.; Vinogradov, Andrey V.; Kovalenko, Konstantin A.; Fedin, Vladimir P.","Confinement of Cd(II) by 2,2'-bipyridyl: control of structural transformations and porosity in perfluorinated biphenyldicarboxylate MOFs.","Dalton transactions (Cambridge, England : 2003)","2026","55","7","2937","2947","10.1039/d5dt02607e","","x-ray","0.71073","MoKα","","0.0234","0.0206","","","0.0468","0.0475","","","","","","1.044","","","","has coordinates","304496","2026-02-18","00:14:06",""
"7720217","15.5016","0.0005","31.0459","0.001","20.5064","0.0006","90","","101.604","0.003","90","","9667.2","0.5","140","2","140","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C108 H76 Cd2 F16 N4 O14 -","- C48 H16 Cd2 F16 N4 O8 -","- C192 H64 Cd8 F64 N16 O32 -","4","1","","Burlak, Pavel V.; Cheplakova, Anastasia M.; Samsonenko, Denis G.; Vinogradov, Andrey V.; Kovalenko, Konstantin A.; Fedin, Vladimir P.","Confinement of Cd(II) by 2,2'-bipyridyl: control of structural transformations and porosity in perfluorinated biphenyldicarboxylate MOFs.","Dalton transactions (Cambridge, England : 2003)","2026","55","7","2937","2947","10.1039/d5dt02607e","","x-ray","0.71073","MoKα","","0.0526","0.0389","","","0.112","0.1163","","","","","","1.034","","","","has coordinates","304496","2026-02-18","00:14:06",""
"7720218","9.4987","0.001","22.51","0.002","10.7668","0.0011","90","","97.43","0.003","90","","2282.8","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H16 Cd2 F16 N4 O8 -","- C48 H16 Cd2 F16 N4 O8 -","- C96 H32 Cd4 F32 N8 O16 -","2","0.5","","Burlak, Pavel V.; Cheplakova, Anastasia M.; Samsonenko, Denis G.; Vinogradov, Andrey V.; Kovalenko, Konstantin A.; Fedin, Vladimir P.","Confinement of Cd(II) by 2,2'-bipyridyl: control of structural transformations and porosity in perfluorinated biphenyldicarboxylate MOFs.","Dalton transactions (Cambridge, England : 2003)","2026","55","7","2937","2947","10.1039/d5dt02607e","","","0.71073","MoKα","","0.0432","0.0403","","","0.0975","0.0985","","","","","","1.135","","","","has coordinates","304496","2026-02-18","00:14:06",""
"7720219","30.7327","0.0002","30.7327","0.0002","20.4403","0.0002","90","","90","","90","","19305.8","0.3","140","2","140","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C50 H24 Cd2 F16 N4 O10 -","- C48 H16 Cd2 F16 N4 O8 -","- C768 H256 Cd32 F256 N64 O128 -","16","2","","Burlak, Pavel V.; Cheplakova, Anastasia M.; Samsonenko, Denis G.; Vinogradov, Andrey V.; Kovalenko, Konstantin A.; Fedin, Vladimir P.","Confinement of Cd(II) by 2,2'-bipyridyl: control of structural transformations and porosity in perfluorinated biphenyldicarboxylate MOFs.","Dalton transactions (Cambridge, England : 2003)","2026","55","7","2937","2947","10.1039/d5dt02607e","","x-ray","0.71073","MoKα","","0.0268","0.0232","","","0.0504","0.0514","","","","","","1.039","","","","has coordinates","304496","2026-02-18","00:14:06",""
"7720220","13.2742","0.0009","11.2472","0.0006","10.3605","0.0006","90","","107.302","0.002","90","","1476.81","0.15","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 N5 -","- C17 H17 N5 -","- C68 H68 N20 -","4","1","","Zhang, Guoqi; Mei, Haiyu; Kanina, Amy; Chocho, Marilyn; Hiyaev, Paulina; Cheng, Shu-Yuan; Neary, Michelle C.","Isomers of 2,2':6',2″-terpyridine and 2,6-dipyrazin-2-ylpyridine with aliphatic substituents: synthesis, coordination chemistry, and catalytic and anticancer activities.","Dalton transactions (Cambridge, England : 2003)","2026","55","7","2855","2867","10.1039/d5dt02824h","","","0.71073","MoKα","","0.071","0.0424","","","0.0978","0.1138","","","","","","1.015","","","","has coordinates","304497","2026-02-18","00:14:58",""
"7720221","13.3655","0.0018","6.9938","0.0008","16.633","0.002","90","","90","","90","","1554.8","0.3","296","2","296","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C17 H17 N5 -","- C17 H17 N5 -","- C68 H68 N20 -","4","0.5","","Zhang, Guoqi; Mei, Haiyu; Kanina, Amy; Chocho, Marilyn; Hiyaev, Paulina; Cheng, Shu-Yuan; Neary, Michelle C.","Isomers of 2,2':6',2″-terpyridine and 2,6-dipyrazin-2-ylpyridine with aliphatic substituents: synthesis, coordination chemistry, and catalytic and anticancer activities.","Dalton transactions (Cambridge, England : 2003)","2026","55","7","2855","2867","10.1039/d5dt02824h","","","0.71073","MoKα","","0.1098","0.0591","","","0.1473","0.1744","","","","","","1.018","","","","has coordinates","304497","2026-02-18","00:14:59",""
"7720222","5.7724","0.0005","11.3381","0.0011","13.8104","0.0013","80.53","0.007","83.942","0.007","88.685","0.007","886.55","0.14","130","2","130","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H25 N3 O2 -","- C19 H25 N3 O2 -","- C38 H50 N6 O4 -","2","1","","Zhang, Guoqi; Mei, Haiyu; Kanina, Amy; Chocho, Marilyn; Hiyaev, Paulina; Cheng, Shu-Yuan; Neary, Michelle C.","Isomers of 2,2':6',2″-terpyridine and 2,6-dipyrazin-2-ylpyridine with aliphatic substituents: synthesis, coordination chemistry, and catalytic and anticancer activities.","Dalton transactions (Cambridge, England : 2003)","2026","55","7","2855","2867","10.1039/d5dt02824h","","","0.71073","MoKα","","0.1309","0.0551","","","0.1019","0.1293","","","","","","1.006","","","","has coordinates","304497","2026-02-18","00:14:59",""
"7720223","11.0946","0.0013","12.826","0.0015","11.4322","0.0014","90","","96.419","0.006","90","","1616.6","0.3","130","2","130","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H21 N5 O -","- C17 H21 N5 O -","- C68 H84 N20 O4 -","4","1","","Zhang, Guoqi; Mei, Haiyu; Kanina, Amy; Chocho, Marilyn; Hiyaev, Paulina; Cheng, Shu-Yuan; Neary, Michelle C.","Isomers of 2,2':6',2″-terpyridine and 2,6-dipyrazin-2-ylpyridine with aliphatic substituents: synthesis, coordination chemistry, and catalytic and anticancer activities.","Dalton transactions (Cambridge, England : 2003)","2026","55","7","2855","2867","10.1039/d5dt02824h","","","0.71073","MoKα","","0.0554","0.0446","","","0.1134","0.1261","","","","","","1.083","","","","has coordinates","304497","2026-02-18","00:14:59",""
"7720224","21.622","0.0017","14.9251","0.0012","15.7371","0.0014","90","","90","","90","","5078.5","0.7","120","","120.01","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C19 H19 I2 N3 Zn -","- C19 H19 I2 N3 Zn -","- C152 H152 I16 N24 Zn8 -","8","1","","Zhang, Guoqi; Mei, Haiyu; Kanina, Amy; Chocho, Marilyn; Hiyaev, Paulina; Cheng, Shu-Yuan; Neary, Michelle C.","Isomers of 2,2':6',2″-terpyridine and 2,6-dipyrazin-2-ylpyridine with aliphatic substituents: synthesis, coordination chemistry, and catalytic and anticancer activities.","Dalton transactions (Cambridge, England : 2003)","2026","55","7","2855","2867","10.1039/d5dt02824h","","","0.71073","MoKα","","0.0387","0.0317","","","0.0732","0.0797","","","","","","1.1101","","","","has coordinates","304497","2026-02-18","00:14:59",""
"7720225","11.817","0.002","12.712","0.002","16.105","0.003","90","","90","","90","","2419.3","0.7","90","2","90","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H25 Cl2 Co N5 -","- C24 H25 Cl2 Co N5 -","- C96 H100 Cl8 Co4 N20 -","4","1","","Zhang, Guoqi; Mei, Haiyu; Kanina, Amy; Chocho, Marilyn; Hiyaev, Paulina; Cheng, Shu-Yuan; Neary, Michelle C.","Isomers of 2,2':6',2″-terpyridine and 2,6-dipyrazin-2-ylpyridine with aliphatic substituents: synthesis, coordination chemistry, and catalytic and anticancer activities.","Dalton transactions (Cambridge, England : 2003)","2026","55","7","2855","2867","10.1039/d5dt02824h","","","0.71073","MoKα","","0.0243","0.0236","","","0.0611","0.0617","","","","","","1.042","","","","has coordinates,has disorder","304497","2026-02-18","00:14:59",""
"7720226","31.739","0.009","11.768","0.003","24.007","0.006","90","","97.035","0.007","90","","8899","4","130","2","130","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H46 Co N8 O2 S2 -","- C40 H38 Co N8 S2 -","- C320 H304 Co8 N64 S16 -","8","1","","Zhang, Guoqi; Mei, Haiyu; Kanina, Amy; Chocho, Marilyn; Hiyaev, Paulina; Cheng, Shu-Yuan; Neary, Michelle C.","Isomers of 2,2':6',2″-terpyridine and 2,6-dipyrazin-2-ylpyridine with aliphatic substituents: synthesis, coordination chemistry, and catalytic and anticancer activities.","Dalton transactions (Cambridge, England : 2003)","2026","55","7","2855","2867","10.1039/d5dt02824h","","","0.71073","MoKα","","0.076","0.0479","","","0.123","0.1379","","","","","","1.027","","","","has coordinates,has disorder","304497","2026-02-18","00:14:59",""
"7720227","17.3665","0.0012","10.9964","0.0008","18.1432","0.0013","90","","116.17","0.004","90","","3109.6","0.4","130","2","130","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H19 N3 -","- C19 H19 N3 -","- C152 H152 N24 -","8","4","","Zhang, Guoqi; Mei, Haiyu; Kanina, Amy; Chocho, Marilyn; Hiyaev, Paulina; Cheng, Shu-Yuan; Neary, Michelle C.","Isomers of 2,2':6',2″-terpyridine and 2,6-dipyrazin-2-ylpyridine with aliphatic substituents: synthesis, coordination chemistry, and catalytic and anticancer activities.","Dalton transactions (Cambridge, England : 2003)","2026","55","7","2855","2867","10.1039/d5dt02824h","","","0.71073","MoKα","","0.1101","0.0669","","","0.171","0.2017","","","","","","1.032","","","","has coordinates,has disorder","304497","2026-02-18","00:14:59",""
"7720228","12.29912","0.00015","21.6544","0.0003","42.9575","0.0006","90","","90","","90","","11440.9","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C62 H70 N2 O6 Se2 -","- C62 H70 N2 O6 Se2 -","- C496 H560 N16 O48 Se16 -","8","1","","Ravi, Rajkumar; Saravanan, Raju; Butcher, Ray J.; Karuthapandi, Selvakumar","Chalcogen bond-driven self-assembly of a 4-<i>tert</i>-butylcalix[4]arene-ebselen conjugate.","Dalton transactions (Cambridge, England : 2003)","2026","55","11","4687","4699","10.1039/d5dt02079d","","","1.54184","CuKα","","0.1068","0.1008","","","0.2768","0.2797","","","","","","1.081","","","","has coordinates,has disorder","305378","2026-04-05","12:09:48",""
"7720229","44.516","0.009","12.701","0.002","21.17","0.004","90","","103.955","0.007","90","","11616","4","300","2","300","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C62 H70 N2 O6 Se2 -","- C62 H70 N2 O6 Se2 -","- C496 H560 N16 O48 Se16 -","8","1","","Ravi, Rajkumar; Saravanan, Raju; Butcher, Ray J.; Karuthapandi, Selvakumar","Chalcogen bond-driven self-assembly of a 4-<i>tert</i>-butylcalix[4]arene-ebselen conjugate.","Dalton transactions (Cambridge, England : 2003)","2026","55","11","4687","4699","10.1039/d5dt02079d","","","0.71073","MoKα","","0.1462","0.0862","","","0.2165","0.2672","","","","","","1.053","","","","has coordinates,has disorder","305378","2026-04-05","12:09:48",""
"7720230","44.443","0.007","12.6181","0.0017","20.733","0.003","90","","104.062","0.004","90","","11278","3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C62 H70 N2 O6 Se2 -","- C62 H70 N2 O6 Se2 -","- C496 H560 N16 O48 Se16 -","8","1","","Ravi, Rajkumar; Saravanan, Raju; Butcher, Ray J.; Karuthapandi, Selvakumar","Chalcogen bond-driven self-assembly of a 4-<i>tert</i>-butylcalix[4]arene-ebselen conjugate.","Dalton transactions (Cambridge, England : 2003)","2026","55","11","4687","4699","10.1039/d5dt02079d","","","0.71073","MoKα","","0.1595","0.1039","","","0.2437","0.2802","","","","","","1.055","","","","has coordinates","305378","2026-04-05","12:09:48",""
"7720231","14.9374","0.0004","9.871","0.0003","17.3397","0.0004","90","","107.02","0.001","90","","2444.71","0.11","296.15","","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H36 Co2 Li2 N2 O18 -","- C52 H36 Co2 Li2 N2 O18 -","- C104 H72 Co4 Li4 N4 O36 -","2","0.5","","Rubtsova, Irina K.; Yambulatov, Dmitriy S.; Shmelev, Maxim A.; Voronina, Julia K.; Goloveshkin, Alexander S.; Babeshkin, Konstantin A.; Efimov, Nikolay N.; Matiukhina, Anna K.; Nikolaevskii, Stanislav A.; Kiskin, Mikhail A.; Eremenko, Igor L.","The influence of the coordination environment of cobalt(II) ions on the magnetic properties of heterometallic complexes with a {Co<sub>2</sub>Li<sub>2</sub>} metal core.","Dalton transactions (Cambridge, England : 2003)","2026","55","7","2883","2892","10.1039/d5dt02560e","","","0.71073","MoKα","","0.0814","0.06","","","0.1259","0.1355","","","","","","1.067","","","","has coordinates,has disorder","304499","2026-02-18","00:16:09",""
"7720232","10.452","0.01","14.441","0.015","21.42","0.013","90","","92.63","0.02","90","","3230","5","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C70 H44 Co2 Li2 N10 O12 -","- C70 H44 Co2 Li2 N10 O12 -","- C140 H88 Co4 Li4 N20 O24 -","2","0.5","","Rubtsova, Irina K.; Yambulatov, Dmitriy S.; Shmelev, Maxim A.; Voronina, Julia K.; Goloveshkin, Alexander S.; Babeshkin, Konstantin A.; Efimov, Nikolay N.; Matiukhina, Anna K.; Nikolaevskii, Stanislav A.; Kiskin, Mikhail A.; Eremenko, Igor L.","The influence of the coordination environment of cobalt(II) ions on the magnetic properties of heterometallic complexes with a {Co<sub>2</sub>Li<sub>2</sub>} metal core.","Dalton transactions (Cambridge, England : 2003)","2026","55","7","2883","2892","10.1039/d5dt02560e","","","0.71073","MoKα","","0.1468","0.1134","","","0.2914","0.3092","","","","","","1.086","","","","has coordinates","304499","2026-02-18","00:16:11",""
"7720233","10.648","0.01","10.726","0.011","13.592","0.015","72.09","0.02","77.39","0.02","73.39","0.03","1401","2","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C66 H38 Co2 Li2 N8 O12 -","- C66 H38 Co2 Li2 N8 O12 -","- C66 H38 Co2 Li2 N8 O12 -","1","0.5","","Rubtsova, Irina K.; Yambulatov, Dmitriy S.; Shmelev, Maxim A.; Voronina, Julia K.; Goloveshkin, Alexander S.; Babeshkin, Konstantin A.; Efimov, Nikolay N.; Matiukhina, Anna K.; Nikolaevskii, Stanislav A.; Kiskin, Mikhail A.; Eremenko, Igor L.","The influence of the coordination environment of cobalt(II) ions on the magnetic properties of heterometallic complexes with a {Co<sub>2</sub>Li<sub>2</sub>} metal core.","Dalton transactions (Cambridge, England : 2003)","2026","55","7","2883","2892","10.1039/d5dt02560e","","","0.71073","MoKα","","0.0956","0.0877","","","0.2404","0.2436","","","","","","1.059","","","","has coordinates","304499","2026-02-18","00:16:11",""
"7720234","9.6334","0.0004","9.7861","0.0004","13.6111","0.0005","99.974","0.002","103.929","0.002","90.221","0.002","1225.22","0.09","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C50 H34 Co2 Li2 N4 O18 -","- C50 H34 Co2 Li2 N4 O18 -","- C50 H34 Co2 Li2 N4 O18 -","1","0.5","","Rubtsova, Irina K.; Yambulatov, Dmitriy S.; Shmelev, Maxim A.; Voronina, Julia K.; Goloveshkin, Alexander S.; Babeshkin, Konstantin A.; Efimov, Nikolay N.; Matiukhina, Anna K.; Nikolaevskii, Stanislav A.; Kiskin, Mikhail A.; Eremenko, Igor L.","The influence of the coordination environment of cobalt(II) ions on the magnetic properties of heterometallic complexes with a {Co<sub>2</sub>Li<sub>2</sub>} metal core.","Dalton transactions (Cambridge, England : 2003)","2026","55","7","2883","2892","10.1039/d5dt02560e","","","0.71073","MoKα","","0.0603","0.0427","","","0.0988","0.1067","","","","","","1.026","","","","has coordinates,has disorder","304499","2026-02-18","00:16:11",""
"7720235","15.0397","0.0007","24.4053","0.0014","15.792","0.0007","90","","107.05","0.002","90","","5541.7","0.5","296.15","","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C110 H142 Co2 Li2 N4 O12 -","- C110 H142 Co2 Li2 N4 O12 -","- C220 H284 Co4 Li4 N8 O24 -","2","0.5","","Rubtsova, Irina K.; Yambulatov, Dmitriy S.; Shmelev, Maxim A.; Voronina, Julia K.; Goloveshkin, Alexander S.; Babeshkin, Konstantin A.; Efimov, Nikolay N.; Matiukhina, Anna K.; Nikolaevskii, Stanislav A.; Kiskin, Mikhail A.; Eremenko, Igor L.","The influence of the coordination environment of cobalt(II) ions on the magnetic properties of heterometallic complexes with a {Co<sub>2</sub>Li<sub>2</sub>} metal core.","Dalton transactions (Cambridge, England : 2003)","2026","55","7","2883","2892","10.1039/d5dt02560e","","","0.71073","MoKα","","0.1312","0.0787","","","0.1867","0.2148","","","","","","1.018","","","","has coordinates,has disorder","304499","2026-02-18","00:16:11",""
"7720236","26.0812","0.0009","14.3916","0.0005","27.6124","0.0009","90","","96.456","0.001","90","","10298.6","0.6","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C57 H55 N8 O9 Sm -","- C54 H48 N7 O8 Sm -","- C432 H384 N56 O64 Sm8 -","8","1","","Belousov, Yuriy A.; Polikovsky, Trofim A.; Metlin, Mikhail T.; Shikin, Daniil D.; Gontcharenko, Victoria E.; Lyssenko, Konstanin A.; Drozdov, Andrey A.; Korshunov, Vladislav M.; Taydakov, Ilya V.; Marchetti, Fabio; Pettinari, Claudio","Why europium acylpyrazolonates are bad phosphors: lessons learned from the study of ionic and polymer complexes [MLnQ<sub>4</sub>], M = NEt<sub>4</sub><sup>+</sup>, Ag<sup/>.","Dalton transactions (Cambridge, England : 2003)","2026","55","7","3087","3100","10.1039/d5dt02746b","","","0.71073","MoKα","","0.0744","0.0701","","","0.144","0.146","","","","","","1.31","","","","has coordinates,has disorder","304500","2026-02-18","00:17:13",""
"7720237","14.0221","0.0005","29.1667","0.0011","16.7398","0.0006","90","","113.133","0.001","90","","6295.7","0.4","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C71.5 H57.25 Ag N9.75 O8 Sm -","- C71.5 H57.25 Ag N9.75 O8 Sm -","- C286 H229 Ag4 N39 O32 Sm4 -","4","1","","Belousov, Yuriy A.; Polikovsky, Trofim A.; Metlin, Mikhail T.; Shikin, Daniil D.; Gontcharenko, Victoria E.; Lyssenko, Konstanin A.; Drozdov, Andrey A.; Korshunov, Vladislav M.; Taydakov, Ilya V.; Marchetti, Fabio; Pettinari, Claudio","Why europium acylpyrazolonates are bad phosphors: lessons learned from the study of ionic and polymer complexes [MLnQ<sub>4</sub>], M = NEt<sub>4</sub><sup>+</sup>, Ag<sup/>.","Dalton transactions (Cambridge, England : 2003)","2026","55","7","3087","3100","10.1039/d5dt02746b","","","0.71073","MoKα","","0.0764","0.0553","","","0.1145","0.1266","","","","","","1.045","","","","has coordinates,has disorder","304500","2026-02-18","00:17:13",""
"7720238","26.133","0.004","14.423","0.003","27.726","0.005","90","","96.708","0.005","90","","10379","3","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C59 H61 Eu N8 O10 -","- C54 H48 Eu N7 O8 -","- C432 H384 Eu8 N56 O64 -","8","1","","Belousov, Yuriy A.; Polikovsky, Trofim A.; Metlin, Mikhail T.; Shikin, Daniil D.; Gontcharenko, Victoria E.; Lyssenko, Konstanin A.; Drozdov, Andrey A.; Korshunov, Vladislav M.; Taydakov, Ilya V.; Marchetti, Fabio; Pettinari, Claudio","Why europium acylpyrazolonates are bad phosphors: lessons learned from the study of ionic and polymer complexes [MLnQ<sub>4</sub>], M = NEt<sub>4</sub><sup>+</sup>, Ag<sup/>.","Dalton transactions (Cambridge, England : 2003)","2026","55","7","3087","3100","10.1039/d5dt02746b","","","0.71073","MoKα","","0.1053","0.0824","","","0.186","0.2006","","","","","","1.081","","","","has coordinates","304500","2026-02-18","00:17:14",""
"7720239","23.8802","0.0006","14.7946","0.0004","20.5168","0.0007","90","","106.963","0.001","90","","6933.2","0.4","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C78 H75 Eu N10 O8 -","- C78 H75 Eu N10 O8 -","- C312 H300 Eu4 N40 O32 -","4","1","","Belousov, Yuriy A.; Polikovsky, Trofim A.; Metlin, Mikhail T.; Shikin, Daniil D.; Gontcharenko, Victoria E.; Lyssenko, Konstanin A.; Drozdov, Andrey A.; Korshunov, Vladislav M.; Taydakov, Ilya V.; Marchetti, Fabio; Pettinari, Claudio","Why europium acylpyrazolonates are bad phosphors: lessons learned from the study of ionic and polymer complexes [MLnQ<sub>4</sub>], M = NEt<sub>4</sub><sup>+</sup>, Ag<sup/>.","Dalton transactions (Cambridge, England : 2003)","2026","55","7","3087","3100","10.1039/d5dt02746b","","","0.71073","MoKα","","0.0701","0.0522","","","0.111","0.1219","","","","","","1.034","","","","has coordinates","304500","2026-02-18","00:17:14",""
"7720240","23.9119","0.0019","14.8147","0.0011","20.536","0.0015","90","","107.131","0.002","90","","6952.1","0.9","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C78 H75 N10 O8 Sm -","- C78 H75 N10 O8 Sm -","- C312 H300 N40 O32 Sm4 -","4","1","","Belousov, Yuriy A.; Polikovsky, Trofim A.; Metlin, Mikhail T.; Shikin, Daniil D.; Gontcharenko, Victoria E.; Lyssenko, Konstanin A.; Drozdov, Andrey A.; Korshunov, Vladislav M.; Taydakov, Ilya V.; Marchetti, Fabio; Pettinari, Claudio","Why europium acylpyrazolonates are bad phosphors: lessons learned from the study of ionic and polymer complexes [MLnQ<sub>4</sub>], M = NEt<sub>4</sub><sup>+</sup>, Ag<sup/>.","Dalton transactions (Cambridge, England : 2003)","2026","55","7","3087","3100","10.1039/d5dt02746b","","","0.71073","MoKα","","0.0639","0.0416","","","0.0912","0.0996","","","","","","1.039","","","","has coordinates","304500","2026-02-18","00:17:14",""
"7720241","13.9878","0.0003","29.1643","0.0006","16.7245","0.0003","90","","113.031","0.001","90","","6278.9","0.2","110","","110","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C71.5 H57.25 Ag Gd N9.75 O8 -","- C71.5 H57.25 Ag Gd N9.75 O8 -","- C286 H229 Ag4 Gd4 N39 O32 -","4","1","","Belousov, Yuriy A.; Polikovsky, Trofim A.; Metlin, Mikhail T.; Shikin, Daniil D.; Gontcharenko, Victoria E.; Lyssenko, Konstanin A.; Drozdov, Andrey A.; Korshunov, Vladislav M.; Taydakov, Ilya V.; Marchetti, Fabio; Pettinari, Claudio","Why europium acylpyrazolonates are bad phosphors: lessons learned from the study of ionic and polymer complexes [MLnQ<sub>4</sub>], M = NEt<sub>4</sub><sup>+</sup>, Ag<sup/>.","Dalton transactions (Cambridge, England : 2003)","2026","55","7","3087","3100","10.1039/d5dt02746b","","","0.71073","MoKα","","0.0734","0.0552","","","0.1111","0.1223","","","","","","1.038","","","","has coordinates,has disorder","304500","2026-02-18","00:17:14",""
"7720242","14.0434","0.0008","29.1528","0.0016","16.7937","0.0009","90","","112.813","0.001","90","","6337.6","0.6","296","2","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C71.5 H57.25 Ag Eu N9.75 O8 -","- C71.5 H57.25 Ag Eu N9.75 O8 -","- C286 H229 Ag4 Eu4 N39 O32 -","4","1","","Belousov, Yuriy A.; Polikovsky, Trofim A.; Metlin, Mikhail T.; Shikin, Daniil D.; Gontcharenko, Victoria E.; Lyssenko, Konstanin A.; Drozdov, Andrey A.; Korshunov, Vladislav M.; Taydakov, Ilya V.; Marchetti, Fabio; Pettinari, Claudio","Why europium acylpyrazolonates are bad phosphors: lessons learned from the study of ionic and polymer complexes [MLnQ<sub>4</sub>], M = NEt<sub>4</sub><sup>+</sup>, Ag<sup/>.","Dalton transactions (Cambridge, England : 2003)","2026","55","7","3087","3100","10.1039/d5dt02746b","","","0.71073","MoKα","","0.0687","0.0427","","","0.0841","0.0939","","","","","","1.024","","","","has coordinates,has disorder","304500","2026-02-18","00:17:14",""
"7720243","7.037","0.0003","5.4777","0.0002","14.1283","0.0005","90","","94.808","0.003","90","","542.68","0.04","293","","293","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- Cl2 H4 O7 P2 Pb3 -","- Cl2 H4 O7 P2 Pb3 -","- Cl4 H8 O14 P4 Pb6 -","2","0.5","","Zhao, Zong-Jie; Yan, Yu-Zheng; Fu, Jia-Jian; Wu, Hong-Yan; Zhang, Jian-Han","Crystal structures and optical properties of two layered lead halide phosphites Pb<sub>3</sub>(HPO<sub>3</sub>)Cl<sub>4</sub>·H<sub>2</sub>O and Pb<sub>3</sub>(HPO<sub>3</sub>)<sub>2</sub>Cl<sub>2</sub>·H<sub>2</sub>O.","Dalton transactions (Cambridge, England : 2003)","2026","55","10","4169","4180","10.1039/d5dt03075g","","","0.71073","MoKα","","0.0324","0.029","","","0.0636","0.0646","","","","","","1.055","","","","has coordinates","305357","2026-04-05","12:01:25",""
"7720244","15.7896","0.0003","8.4224","0.0002","16.4621","0.0004","90","","102.742","0.002","90","","2135.32","0.08","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- Cl4 H3 O4 P Pb3 -","- Cl4 H3 O4 P Pb3 -","- Cl32 H24 O32 P8 Pb24 -","8","2","","Zhao, Zong-Jie; Yan, Yu-Zheng; Fu, Jia-Jian; Wu, Hong-Yan; Zhang, Jian-Han","Crystal structures and optical properties of two layered lead halide phosphites Pb<sub>3</sub>(HPO<sub>3</sub>)Cl<sub>4</sub>·H<sub>2</sub>O and Pb<sub>3</sub>(HPO<sub>3</sub>)<sub>2</sub>Cl<sub>2</sub>·H<sub>2</sub>O.","Dalton transactions (Cambridge, England : 2003)","2026","55","10","4169","4180","10.1039/d5dt03075g","","","0.71073","MoKα","","0.0433","0.0331","","","0.0746","0.0787","","","","","","1.019","","","","has coordinates","305357","2026-04-05","12:01:25",""
"7720245","5.3593","0.0003","16.3702","0.0007","10.7142","0.0005","90","","102.787","0.002","90","","916.67","0.08","250","2","250","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","CV8_250K","","","- C16 H16 N6 Ni O2 S2 -","- C16 H16 N6 Ni O2 S2 -","- C32 H32 N12 Ni2 O4 S4 -","2","0.5","","Loukopoulos, Edward; Fabra, David; Melones-Herrero, Jorge; Matesanz, Ana I.; Viciana, Carmen; Platero-Prats, Ana E; Sánchez-Pérez, Isabel; Quiroga, Adoracion G.","Structural features and antibacterial activity of Ni(II) thiosemicarbazones in a zirconium metal-organic framework composite.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5130","5138","10.1039/d5dt03008k","","","0.71073","MoKα","","0.0427","0.0291","","","0.0626","0.0675","","","","","","1.051","","","","has coordinates","305368","2026-04-05","12:06:28",""
"7720246","7.1806","0.0006","11.4484","0.0009","13.8901","0.001","76.331","0.002","86.624","0.003","83.694","0.003","1102.16","0.15","150","2","150","2","","","","","","","","6","P -1","-P 1","2","CV14.3_150K","","","- C40 H50 N12 Ni O10 S2 -","- C40 H50 N12 Ni O10 S2 -","- C40 H50 N12 Ni O10 S2 -","1","0.5","","Loukopoulos, Edward; Fabra, David; Melones-Herrero, Jorge; Matesanz, Ana I.; Viciana, Carmen; Platero-Prats, Ana E; Sánchez-Pérez, Isabel; Quiroga, Adoracion G.","Structural features and antibacterial activity of Ni(II) thiosemicarbazones in a zirconium metal-organic framework composite.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5130","5138","10.1039/d5dt03008k","","x-ray","0.71073","MoKα","","0.0486","0.0345","","","0.0831","0.0878","","","","","","1.049","","","","has coordinates","305368","2026-04-05","12:06:28",""
"7720247","11.7331","0.0009","7.2792","0.0006","13.7801","0.0011","90","","104.101","0.006","90","","1141.46","0.16","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H8 Cl2 N2 O -","- C13 H8 Cl2 N2 O -","- C52 H32 Cl8 N8 O4 -","4","1","","D'Anna, Luisa; Froux, Aurane; Bonsignore, Riccardo; Roller, Alexander; Kowol, Christian R.; Monari, Antonio; Grandemange, Stéphanie; Barone, Giampaolo; Terenzi, Alessio","<i>In medio stat virtus</i>: asymmetric Salphen metal complexes with improved biological properties.","Dalton transactions (Cambridge, England : 2003)","2026","55","10","4250","4258","10.1039/d5dt02881g","","x-ray","1.54186","CuKα","","0.066","0.0557","","","0.1461","0.157","","","","","","1.058","","","","has coordinates","305352","2026-04-05","12:01:02",""
"7720248","28.962","0.008","3.788","0.0006","23.455","0.007","90","","112.9","0.02","90","","2370.4","1.1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H10 Cl2 N2 O -","- C13 H10 Cl2 N2 O -","- C104 H80 Cl16 N16 O8 -","8","1","","D'Anna, Luisa; Froux, Aurane; Bonsignore, Riccardo; Roller, Alexander; Kowol, Christian R.; Monari, Antonio; Grandemange, Stéphanie; Barone, Giampaolo; Terenzi, Alessio","<i>In medio stat virtus</i>: asymmetric Salphen metal complexes with improved biological properties.","Dalton transactions (Cambridge, England : 2003)","2026","55","10","4250","4258","10.1039/d5dt02881g","","x-ray","0.71073","MoKα","","0.0926","0.048","","","0.1099","0.1214","","","","","","1.031","","","","has coordinates,has disorder","305352","2026-04-05","12:01:02",""
"7720249","10.8579","0.0005","11.2199","0.0004","7.0701","0.0003","90","","104.371","0.007","90","","834.36","0.07","111","2","111","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H9 N5 O S -","- C5 H9 N5 O S -","- C20 H36 N20 O4 S4 -","4","1","","Petrasheuskaya, Tatsiana V.; Kiss, Márton A; Rapta, Peter; Fonay, Csenge; May, Nóra V; Spengler, Gabriella; Frank, Éva; Enyedy, Éva A","Comparative solution study of imidazole-derived thiosemicarbazone complexes: effects of methylation and aromatic conjugation on the redox properties, anticancer, and antibacterial activity.","Dalton transactions (Cambridge, England : 2003)","2026","55","10","4269","4287","10.1039/d5dt02939b","","","0.71075","MoKα","","0.038","0.0359","","","0.0812","0.0823","","","","","","1.0716","","","","has coordinates","305361","2026-04-05","12:02:58",""
"7720250","9.4428","0.0008","14.1585","0.0011","7.3587","0.0007","90","","108.425","0.008","90","","933.4","0.15","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H11 N5 S -","- C7 H11 N5 S -","- C28 H44 N20 S4 -","4","1","","Petrasheuskaya, Tatsiana V.; Kiss, Márton A; Rapta, Peter; Fonay, Csenge; May, Nóra V; Spengler, Gabriella; Frank, Éva; Enyedy, Éva A","Comparative solution study of imidazole-derived thiosemicarbazone complexes: effects of methylation and aromatic conjugation on the redox properties, anticancer, and antibacterial activity.","Dalton transactions (Cambridge, England : 2003)","2026","55","10","4269","4287","10.1039/d5dt02939b","","x-ray","0.71073","MoKα","","0.0558","0.0444","","","0.0942","0.0993","","","","","","1.0834","","","","has coordinates","305361","2026-04-05","12:02:58",""
"7720251","15.3254","0.0012","4.0308","0.0004","34.173","0.003","90","","102.906","0.007","90","","2057.7","0.3","113","2","113","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C10 H14 Cl4 Cu2 N10 Na2 O S2 -","- C10 H14 Cl4 Cu2 N10 Na2 O S2 -","- C40 H56 Cl16 Cu8 N40 Na8 O4 S8 -","4","0.5","","Petrasheuskaya, Tatsiana V.; Kiss, Márton A; Rapta, Peter; Fonay, Csenge; May, Nóra V; Spengler, Gabriella; Frank, Éva; Enyedy, Éva A","Comparative solution study of imidazole-derived thiosemicarbazone complexes: effects of methylation and aromatic conjugation on the redox properties, anticancer, and antibacterial activity.","Dalton transactions (Cambridge, England : 2003)","2026","55","10","4269","4287","10.1039/d5dt02939b","","x-ray","0.71073","MoKα","","0.1009","0.0648","","","0.0971","0.1065","","","","","","1.1198","","","","has coordinates","305361","2026-04-05","12:02:58",""
"7720252","6.609","0.0009","21.973","0.003","6.9687","0.0008","90","","90","","90","","1012","0.2","125","2","125","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C7 H10 Cl N5 S -","- C7 H10 Cl N5 S -","- C28 H40 Cl4 N20 S4 -","4","0.5","","Petrasheuskaya, Tatsiana V.; Kiss, Márton A; Rapta, Peter; Fonay, Csenge; May, Nóra V; Spengler, Gabriella; Frank, Éva; Enyedy, Éva A","Comparative solution study of imidazole-derived thiosemicarbazone complexes: effects of methylation and aromatic conjugation on the redox properties, anticancer, and antibacterial activity.","Dalton transactions (Cambridge, England : 2003)","2026","55","10","4269","4287","10.1039/d5dt02939b","","x-ray","0.71073","MoKα","","0.0465","0.0444","","","0.1009","0.1021","","","","","","1.0821","","","","has coordinates,has disorder","305361","2026-04-05","12:02:58",""
"7720253","17.136","0.004","6.888","0.0014","20.579","0.005","90","","98.284","0.009","90","","2403.7","0.9","120","2","120.15","","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C14 H25 Cl2 Cu2 N10 O3 S2 -","- C14 H25 Cl2 Cu2 N10 O3 S2 -","- C56 H100 Cl8 Cu8 N40 O12 S8 -","4","0.5","","Petrasheuskaya, Tatsiana V.; Kiss, Márton A; Rapta, Peter; Fonay, Csenge; May, Nóra V; Spengler, Gabriella; Frank, Éva; Enyedy, Éva A","Comparative solution study of imidazole-derived thiosemicarbazone complexes: effects of methylation and aromatic conjugation on the redox properties, anticancer, and antibacterial activity.","Dalton transactions (Cambridge, England : 2003)","2026","55","10","4269","4287","10.1039/d5dt02939b","","x-ray","0.71073","MoKα","","0.0417","0.0336","","","0.067","0.0697","","","","","","1.0846","","","","has coordinates","305361","2026-04-05","12:02:58",""
"7720254","20.1353","0.0007","14.3233","0.0004","15.9141","0.0005","90","","92.489","0.007","90","","4585.4","0.3","103","2","103","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C15 H24 Cl Fe N10 O S2 -","- C15 H24 Cl Fe N10 O S2 -","- C120 H192 Cl8 Fe8 N80 O8 S16 -","8","2","","Petrasheuskaya, Tatsiana V.; Kiss, Márton A; Rapta, Peter; Fonay, Csenge; May, Nóra V; Spengler, Gabriella; Frank, Éva; Enyedy, Éva A","Comparative solution study of imidazole-derived thiosemicarbazone complexes: effects of methylation and aromatic conjugation on the redox properties, anticancer, and antibacterial activity.","Dalton transactions (Cambridge, England : 2003)","2026","55","10","4269","4287","10.1039/d5dt02939b","","x-ray","0.71075","MoKα","","0.0685","0.0543","","","0.1151","0.1212","","","","","","1.0769","","","","has coordinates","305361","2026-04-05","12:02:58",""
"7720255","15.4545","0.0015","7.6025","0.0007","20.508","0.002","90","","108.077","0.008","90","","2290.6","0.4","103","2","103","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C12 H18 Cl4 Cu2 N10 O S2 -","- C12 H18 Cl4 Cu2 N10 O S2 -","- C48 H72 Cl16 Cu8 N40 O4 S8 -","4","1","","Petrasheuskaya, Tatsiana V.; Kiss, Márton A; Rapta, Peter; Fonay, Csenge; May, Nóra V; Spengler, Gabriella; Frank, Éva; Enyedy, Éva A","Comparative solution study of imidazole-derived thiosemicarbazone complexes: effects of methylation and aromatic conjugation on the redox properties, anticancer, and antibacterial activity.","Dalton transactions (Cambridge, England : 2003)","2026","55","10","4269","4287","10.1039/d5dt02939b","","x-ray","0.71073","MoKα","","0.1895","0.1478","","","0.3375","0.3671","","","","","","1.0768","","","","has coordinates","305361","2026-04-05","12:02:58",""
"7720256","9.6485","0.0004","7.8052","0.0003","22.5205","0.0008","90","","90","","90","","1695.98","0.11","153","2","153","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6 H9 N5 S -","- C6 H9 N5 S -","- C48 H72 N40 S8 -","8","1","","Petrasheuskaya, Tatsiana V.; Kiss, Márton A; Rapta, Peter; Fonay, Csenge; May, Nóra V; Spengler, Gabriella; Frank, Éva; Enyedy, Éva A","Comparative solution study of imidazole-derived thiosemicarbazone complexes: effects of methylation and aromatic conjugation on the redox properties, anticancer, and antibacterial activity.","Dalton transactions (Cambridge, England : 2003)","2026","55","10","4269","4287","10.1039/d5dt02939b","","x-ray","0.71073","MoKα","","0.0444","0.0413","","","0.0931","0.0954","","","","","","1.1062","","","","has coordinates","305361","2026-04-05","12:02:58",""
"7720257","17.5784","0.0008","17.5784","0.0008","46.063","0.004","90","","90","","90","","14233.5","1.5","296","2","296","2","","","","","","","","7","I 4/m c m","-I 4 2c","140","","","","- C72 H74 Cu3 F18 N24 O Si3 -","- C72 H74 Cu3 F18 N24 O Si3 -","- C288 H296 Cu12 F72 N96 O4 Si12 -","4","0.125","","Liu, Shuang; Yu, Chunze; Geng, Sidan; Duan, Jingui","Formation and tuning of a pillar porous-layered framework into a pillar double-channelled framework.","Dalton transactions (Cambridge, England : 2003)","2026","55","12","4813","4820","10.1039/d6dt00054a","","","0.71073","MoKα","","0.0909","0.0648","","","0.182","0.1912","","","","","","1.096","","","","has coordinates","305394","2026-04-05","12:12:22",""
"7720258","44.4981","0.001","44.4981","0.001","12.974","0.0006","90","","90","","90","","25689.6","1.4","293","2","293","2","","","","","","","","6","P 4/m n c","-P 4 2n","128","","","","- C54 H54 Cu2.5 F7.5 N18 Ti1.25 -","- C54 H54 Cu2.5 F7.5 N18 Ti1.25 -","- C432 H432 Cu20 F60 N144 Ti10 -","8","0.5","","Liu, Shuang; Yu, Chunze; Geng, Sidan; Duan, Jingui","Formation and tuning of a pillar porous-layered framework into a pillar double-channelled framework.","Dalton transactions (Cambridge, England : 2003)","2026","55","12","4813","4820","10.1039/d6dt00054a","","","0.71073","MoKα","","0.1364","0.1053","","","0.2786","0.2979","","","","","","1.092","","","","has coordinates,has disorder","305394","2026-04-05","12:12:22",""
"7720259","19.933","0.004","16.961","0.003","15.528","0.004","90","","100.411","0.012","90","","5163.3","1.9","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C25 H17 Ag Cl N5.46 O4.54 S -","- C25 H17 Ag Cl N5.46 O4.54 S -","- C200 H136 Ag8 Cl8 N43.68 O36.32 S8 -","8","1","","Ndifon, Peltine; Pinder, Emma C.; Slater, Christopher H. L.; Clemett, Christopher J.; McRobbie, Auska A. T.; Rayner, Samuel P.; Wickramarachchi, Shalith; Bertal-Ngaage, Karima; Allison, Simon J.; Dowey, Rebecca; Harmer, Jane; Carr, Martin; Slate, Anthony J.; Phillips, Roger M.; Butler, Jonathan A.; Rice, Craig R.; Whitehead, Martina","Synthesis, characterisation and biological properties of a silver helicate which displays enhanced activity towards methicillin-resistant <i>Staphylococcus aureus</i> (MRSA).","Dalton transactions (Cambridge, England : 2003)","2026","55","9","3667","3671","10.1039/d6dt00038j","","","0.71073","MoKα","","0.0674","0.0492","","","0.1419","0.1605","","","","","","0.988","","","","has coordinates,has disorder","304915","2026-03-05","12:52:57",""
"7720260","11.8934","0.0003","22.7852","0.0006","9.454","0.0002","90","","102.526","0.001","90","","2500.99","0.11","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H17 Ag F3 N5 O3 S2 -","- C24 H17 Ag F3 N5 O3 S2 -","- C96 H68 Ag4 F12 N20 O12 S8 -","4","1","","Ndifon, Peltine; Pinder, Emma C.; Slater, Christopher H. L.; Clemett, Christopher J.; McRobbie, Auska A. T.; Rayner, Samuel P.; Wickramarachchi, Shalith; Bertal-Ngaage, Karima; Allison, Simon J.; Dowey, Rebecca; Harmer, Jane; Carr, Martin; Slate, Anthony J.; Phillips, Roger M.; Butler, Jonathan A.; Rice, Craig R.; Whitehead, Martina","Synthesis, characterisation and biological properties of a silver helicate which displays enhanced activity towards methicillin-resistant <i>Staphylococcus aureus</i> (MRSA).","Dalton transactions (Cambridge, England : 2003)","2026","55","9","3667","3671","10.1039/d6dt00038j","","","0.71073","MoKα","","0.0369","0.0325","","","0.0719","0.0739","","","","","","1.109","","","","has coordinates","304915","2026-03-05","12:52:58",""
"7720261","11.8289","0.0005","11.9812","0.0005","20.776","0.0009","100.505","0.002","99.09","0.002","100.839","0.002","2786.5","0.2","200","","200","","","","","","","","","5","P -1","-P 1","2","","","","- C118 H144 N12 P4 Zn4 -","- C118 H144 N12 P4 Zn4 -","- C118 H144 N12 P4 Zn4 -","1","0.5","","Ginés, Carlos; Parra-Cadenas, Blanca; Elorriaga, David; García-Vivó, Daniel; Fernández-Galán, Rafael; Ramos, Alberto; Carrillo-Hermosilla, Fernando","Efficient synthesis of cyclic carbonates and oxazolidinones by simple zinc guanidinato complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","11","4525","4534","10.1039/d6dt00139d","","","0.71073","MoKα","","0.092","0.0477","","","0.1304","0.1745","","","","","","1.066","","","","has coordinates,has disorder","305379","2026-04-05","12:09:58",""
"7720262","12.0842","0.0005","34.2298","0.001","11.1316","0.0004","90","","116.101","0.005","90","","4134.9","0.3","250","0.14","250.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H54 N6 S2 Zn2 -","- C40 H54 N6 S2 Zn2 -","- C160 H216 N24 S8 Zn8 -","4","1","","Ginés, Carlos; Parra-Cadenas, Blanca; Elorriaga, David; García-Vivó, Daniel; Fernández-Galán, Rafael; Ramos, Alberto; Carrillo-Hermosilla, Fernando","Efficient synthesis of cyclic carbonates and oxazolidinones by simple zinc guanidinato complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","11","4525","4534","10.1039/d6dt00139d","","","0.71073","MoKα","","0.0709","0.0571","","","0.1435","0.1486","","","","","","1.115","","","","has coordinates,has disorder","305379","2026-04-05","12:09:58",""
"7720263","9.502","0.0001","10.9733","0.0001","15.7972","0.0002","90","","104.764","0.001","90","","1592.76","0.03","250","0.1","250","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H46 N6 O2 Zn2 -","- C28 H46 N6 O2 Zn2 -","- C56 H92 N12 O4 Zn4 -","2","0.5","","Ginés, Carlos; Parra-Cadenas, Blanca; Elorriaga, David; García-Vivó, Daniel; Fernández-Galán, Rafael; Ramos, Alberto; Carrillo-Hermosilla, Fernando","Efficient synthesis of cyclic carbonates and oxazolidinones by simple zinc guanidinato complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","11","4525","4534","10.1039/d6dt00139d","","x-ray","1.54184","CuKα","","0.0238","0.0228","","","0.0639","0.0646","","","","","","1.067","","","","has coordinates","305379","2026-04-05","12:09:58",""
"7720264","7.0307","0.0003","12.5506","0.0006","32.798","0.0014","90","","90","","90","","2894.1","0.2","280","2","280","2","","","","","","","","8","P b c m","-P 2c 2b","57","","","","- C24 H14 Ba2 Br2 Cu2 F4 N4 O9 -","- C24 H14 Ba2 Br2 Cu2 F4 N4 O9 -","- C96 H56 Ba8 Br8 Cu8 F16 N16 O36 -","4","0.5","","Peng, Can; Zhang, Sheng-Mao; Liu, Jin-Mei; Wang, Nian-Hao; Tian, Lin-Xu; Ping, Xue-Hao; Zhao, Jia-Jing; Wu, Zhao-Feng; Huang, Xiao-Ying","A series of Cu<i>X</i> (<i>X</i> = Br and I) units bearing Ba-MOFs: structures, fluorescence and sensing properties.","Dalton transactions (Cambridge, England : 2003)","2026","55","12","4792","4801","10.1039/d5dt02972d","","","0.71073","MoKα","","0.0664","0.0429","","","0.0899","0.1011","","","","","","1.07","","","","has coordinates,has disorder","305401","2026-04-05","12:15:15",""
"7720265","9.2951","0.0002","11.6513","0.0002","20.1943","0.0004","74.916","0.002","81.305","0.002","86.706","0.002","2087.04","0.07","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H33 Ba2 Br3 Cu4 N5 O16.5 -","- C30 H33 Ba2 Br3 Cu4 N5 O16.5 -","- C60 H66 Ba4 Br6 Cu8 N10 O33 -","2","1","","Peng, Can; Zhang, Sheng-Mao; Liu, Jin-Mei; Wang, Nian-Hao; Tian, Lin-Xu; Ping, Xue-Hao; Zhao, Jia-Jing; Wu, Zhao-Feng; Huang, Xiao-Ying","A series of Cu<i>X</i> (<i>X</i> = Br and I) units bearing Ba-MOFs: structures, fluorescence and sensing properties.","Dalton transactions (Cambridge, England : 2003)","2026","55","12","4792","4801","10.1039/d5dt02972d","","","0.71073","MoKα","","0.0411","0.0295","","","0.0658","0.0691","","","","","","1.034","","","","has coordinates","305401","2026-04-05","12:15:15",""
"7720266","10.6665","0.0002","14.1811","0.0003","18.5074","0.0003","105.729","0.002","102.88","0.002","100.66","0.002","2535.42","0.1","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C69 H68 Ba2 Cu7 I6 K5 N13 O26.5 -","- C69 H64 Ba2 Cu7 I6 K5 N13 O26.5 -","- C69 H64 Ba2 Cu7 I6 K5 N13 O26.5 -","1","0.5","","Peng, Can; Zhang, Sheng-Mao; Liu, Jin-Mei; Wang, Nian-Hao; Tian, Lin-Xu; Ping, Xue-Hao; Zhao, Jia-Jing; Wu, Zhao-Feng; Huang, Xiao-Ying","A series of Cu<i>X</i> (<i>X</i> = Br and I) units bearing Ba-MOFs: structures, fluorescence and sensing properties.","Dalton transactions (Cambridge, England : 2003)","2026","55","12","4792","4801","10.1039/d5dt02972d","","","0.71073","MoKα","","0.0552","0.0381","","","0.0906","0.0971","","","","","","1.055","","","","has coordinates,has disorder","305401","2026-04-05","12:15:15",""
"7720267","16.3216","0.0012","13.6024","0.0008","20.9657","0.0013","90","","92.313","0.006","90","","4650.9","0.5","296.8","1","296.8","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","di(2,6-bis[3-phenylimidazol-2-35ylidene]pyridine)manganese(II) hexafluorophosphate","","- C46 H34 F12 Mn N10 P2 -","- C46 H34 F12 Mn N10 P2 -","- C184 H136 F48 Mn4 N40 P8 -","4","1","","Rhames, Maxwell C.; Burnett, Nora L.; Lee, Annemarie A.; Clark, Colin B.; Tocco, William C.; Ahmed, Ahshabibi; Ruhren, Alexander N.; Besson, Claire; Panetier, Julien A.; Swierk, John R.; Arias-Rotondo, Daniela M","A low-spin manganese(II) complex with an emissive charge-transfer excited state.","Dalton transactions (Cambridge, England : 2003)","2026","55","10","4097","4101","10.1039/d5dt02990b","","x-ray","0.71073","MoKα","","0.1823","0.071","","","0.1395","0.1778","","","","","","0.991","","","","has coordinates,has disorder","305356","2026-04-05","12:01:22",""
"7720268","11.7471","0.0004","11.9355","0.0004","12.3676","0.0004","89.889","0.001","75.106","0.001","77.776","0.001","1635.25","0.09","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C46 H66 Eu2 N18 Na2 O36 -","- C46 H66 Eu2 N18 Na2 O36 -","- C46 H66 Eu2 N18 Na2 O36 -","1","0.5","","Mortensen, Sabina Svava; Sørensen, Thomas Just","Eu<sup>3+</sup> doped Y<sup>3+</sup> dipicolinate crystals: differences in the luminescence spectra and concentration quenching of Eu<sup>3+</sup> luminescence.","Dalton transactions (Cambridge, England : 2003)","2026","55","12","4988","4996","10.1039/d5dt02952j","","","0.71073","MoKα","","0.0168","0.016","","","0.0386","0.0391","","","","","","1.056","","","","has coordinates","305396","2026-04-05","12:13:52",""
"7720269","11.7248","0.0013","11.8913","0.0013","12.3642","0.0014","89.653","0.005","74.987","0.005","77.757","0.005","1625","0.3","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C46 H66 Eu0.25 N18 Na2 O36 Y1.75 -","- C46 H66 Eu0.2412 N18 Na2 O36 Y1.7588 -","- C46 H66 Eu0.2412 N18 Na2 O36 Y1.7588 -","1","0.5","","Mortensen, Sabina Svava; Sørensen, Thomas Just","Eu<sup>3+</sup> doped Y<sup>3+</sup> dipicolinate crystals: differences in the luminescence spectra and concentration quenching of Eu<sup>3+</sup> luminescence.","Dalton transactions (Cambridge, England : 2003)","2026","55","12","4988","4996","10.1039/d5dt02952j","","","0.71073","MoKα","","0.0557","0.039","","","0.0806","0.0872","","","","","","1.05","","","","has coordinates,has disorder","305396","2026-04-05","12:13:52",""
"7720270","11.7306","0.0005","11.9014","0.0006","12.3547","0.0006","89.751","0.002","75.01","0.002","77.732","0.002","1625.76","0.13","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C46 H66 Eu0.67 N18 Na2 O36 Y1.33 -","- C46 H66 Eu0.6706 N18 Na2 O36 Y1.3294 -","- C46 H66 Eu0.6706 N18 Na2 O36 Y1.3294 -","1","0.5","","Mortensen, Sabina Svava; Sørensen, Thomas Just","Eu<sup>3+</sup> doped Y<sup>3+</sup> dipicolinate crystals: differences in the luminescence spectra and concentration quenching of Eu<sup>3+</sup> luminescence.","Dalton transactions (Cambridge, England : 2003)","2026","55","12","4988","4996","10.1039/d5dt02952j","","","0.71073","MoKα","","0.0439","0.0338","","","0.0774","0.0823","","","","","","1.047","","","","has coordinates,has disorder","305396","2026-04-05","12:13:52",""
"7720271","11.7374","0.0006","11.9066","0.0006","12.3666","0.0006","89.797","0.002","75.063","0.002","77.733","0.002","1629.34","0.14","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C46 H66 N18 Na2 O36 Tb2 -","- C46 H66 N18 Na2 O36 Tb2 -","- C46 H66 N18 Na2 O36 Tb2 -","1","0.5","","Mortensen, Sabina Svava; Sørensen, Thomas Just","Eu<sup>3+</sup> doped Y<sup>3+</sup> dipicolinate crystals: differences in the luminescence spectra and concentration quenching of Eu<sup>3+</sup> luminescence.","Dalton transactions (Cambridge, England : 2003)","2026","55","12","4988","4996","10.1039/d5dt02952j","","","0.71073","MoKα","","0.0222","0.0205","","","0.0491","0.05","","","","","","1.082","","","","has coordinates","305396","2026-04-05","12:13:52",""
"7720272","11.7224","0.0009","11.8824","0.0009","12.3528","0.0008","89.612","0.003","74.984","0.003","77.739","0.003","1621.8","0.2","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C46 H66 N18 Na2 O36 Y2 -","- C46 H66 N18 Na2 O36 Y2 -","- C46 H66 N18 Na2 O36 Y2 -","1","0.5","","Mortensen, Sabina Svava; Sørensen, Thomas Just","Eu<sup>3+</sup> doped Y<sup>3+</sup> dipicolinate crystals: differences in the luminescence spectra and concentration quenching of Eu<sup>3+</sup> luminescence.","Dalton transactions (Cambridge, England : 2003)","2026","55","12","4988","4996","10.1039/d5dt02952j","","","0.71073","MoKα","","0.0389","0.0319","","","0.0751","0.0773","","","","","","1.031","","","","has coordinates","305396","2026-04-05","12:13:52",""
"7720273","11.7211","0.0006","11.8783","0.0006","12.3497","0.0007","89.65","0.003","74.992","0.002","77.688","0.002","1620.36","0.15","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C46 H66 Eu0.1 N18 Na2 O36 Y1.9 -","- C46 H66 Eu0.1 N18 Na2 O36 Y1.9 -","- C46 H66 Eu0.1 N18 Na2 O36 Y1.9 -","1","0.5","","Mortensen, Sabina Svava; Sørensen, Thomas Just","Eu<sup>3+</sup> doped Y<sup>3+</sup> dipicolinate crystals: differences in the luminescence spectra and concentration quenching of Eu<sup>3+</sup> luminescence.","Dalton transactions (Cambridge, England : 2003)","2026","55","12","4988","4996","10.1039/d5dt02952j","","","0.71073","MoKα","","0.063","0.0438","","","0.0888","0.0983","","","","","","1.055","","","","has coordinates,has disorder","305396","2026-04-05","12:13:52",""
"7720274","11.7385","0.0006","11.9005","0.0005","12.3629","0.0006","89.767","0.002","75.062","0.002","77.751","0.002","1628.33","0.14","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C46 H66 Eu0.8 N18 Na2 O36 Y1.2 -","- C46 H66 Eu0.792 N18 Na2 O36 Y1.208 -","- C46 H66 Eu0.792 N18 Na2 O36 Y1.208 -","1","0.5","","Mortensen, Sabina Svava; Sørensen, Thomas Just","Eu<sup>3+</sup> doped Y<sup>3+</sup> dipicolinate crystals: differences in the luminescence spectra and concentration quenching of Eu<sup>3+</sup> luminescence.","Dalton transactions (Cambridge, England : 2003)","2026","55","12","4988","4996","10.1039/d5dt02952j","","","0.71073","MoKα","","0.0391","0.0318","","","0.0757","0.0793","","","","","","1.055","","","","has coordinates,has disorder","305396","2026-04-05","12:13:52",""
"7720275","11.7324","0.001","11.8824","0.001","12.3569","0.0011","89.617","0.003","74.934","0.003","77.671","0.003","1622.9","0.2","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C46 H66 Ho2 N18 Na2 O36 -","- C46 H66 Ho2 N18 Na2 O36 -","- C46 H66 Ho2 N18 Na2 O36 -","1","0.5","","Mortensen, Sabina Svava; Sørensen, Thomas Just","Eu<sup>3+</sup> doped Y<sup>3+</sup> dipicolinate crystals: differences in the luminescence spectra and concentration quenching of Eu<sup>3+</sup> luminescence.","Dalton transactions (Cambridge, England : 2003)","2026","55","12","4988","4996","10.1039/d5dt02952j","","","0.71073","MoKα","","0.0215","0.0207","","","0.0507","0.0511","","","","","","1.078","","","","has coordinates","305396","2026-04-05","12:13:52",""
"7720276","11.7329","0.0006","11.8952","0.0006","12.3584","0.0007","89.673","0.002","75.03","0.002","77.725","0.002","1625.96","0.15","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C46 H66 Eu0.42 N18 Na2 O36 Y1.58 -","- C46 H66 Eu0.4192 N18 Na2 O36 Y1.5808 -","- C46 H66 Eu0.4192 N18 Na2 O36 Y1.5808 -","1","0.5","","Mortensen, Sabina Svava; Sørensen, Thomas Just","Eu<sup>3+</sup> doped Y<sup>3+</sup> dipicolinate crystals: differences in the luminescence spectra and concentration quenching of Eu<sup>3+</sup> luminescence.","Dalton transactions (Cambridge, England : 2003)","2026","55","12","4988","4996","10.1039/d5dt02952j","","","0.71073","MoKα","","0.0616","0.0439","","","0.0785","0.0864","","","","","","1.092","","","","has coordinates,has disorder","305396","2026-04-05","12:13:52",""
"7720277","11.7173","0.0006","11.8564","0.0005","12.3481","0.0006","89.499","0.002","74.919","0.002","77.631","0.002","1615.92","0.13","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C46 H66 N18 Na2 O36 Tm2 -","- C46 H66 N18 Na2 O36 Tm2 -","- C46 H66 N18 Na2 O36 Tm2 -","1","0.5","","Mortensen, Sabina Svava; Sørensen, Thomas Just","Eu<sup>3+</sup> doped Y<sup>3+</sup> dipicolinate crystals: differences in the luminescence spectra and concentration quenching of Eu<sup>3+</sup> luminescence.","Dalton transactions (Cambridge, England : 2003)","2026","55","12","4988","4996","10.1039/d5dt02952j","","","0.71073","MoKα","","0.0184","0.0175","","","0.0437","0.0441","","","","","","1.135","","","","has coordinates","305396","2026-04-05","12:13:52",""
"7720278","7.78","0.0004","13.5149","0.0007","19.6193","0.0008","90","","96.022","0.002","90","","2051.51","0.17","193","","193","","","","","","","","Toluene - CH3CN","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 Cl N4 O3 Re -","- C20 H18 Cl N4 O3 Re -","- C80 H72 Cl4 N16 O12 Re4 -","4","1","","Abate, Pedro O.; Rizo, José Francisco; Fernández-de-Córdova, Francisco José; Ros, Abel; Rivada-Wheelaghan, Orestes","Acid-responsive rhenium(I) NHC complexes: pyrazine <i>vs.</i> pyridine.","Dalton transactions (Cambridge, England : 2003)","2026","55","11","4677","4686","10.1039/d6dt00158k","","","0.71073","MoKα","","0.0347","0.0241","","","0.0506","0.058","","","","","","1.191","","","","has coordinates","305385","2026-04-05","12:11:00",""
"7720279","19.606","0.002","9.987","0.001","16.0179","0.0012","90","","103.353","0.004","90","","3051.6","0.5","193","","193","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C29 H29 B F4 N5 O3 Re -","- C29 H29 B F4 N5 O3 Re -","- C116 H116 B4 F16 N20 O12 Re4 -","4","1","","Abate, Pedro O.; Rizo, José Francisco; Fernández-de-Córdova, Francisco José; Ros, Abel; Rivada-Wheelaghan, Orestes","Acid-responsive rhenium(I) NHC complexes: pyrazine <i>vs.</i> pyridine.","Dalton transactions (Cambridge, England : 2003)","2026","55","11","4677","4686","10.1039/d6dt00158k","","","0.71073","MoKα","","0.0427","0.0349","","","0.0743","0.0774","","","","","","1.143","","","","has coordinates","305385","2026-04-05","12:11:00",""
"7720280","11.1996","0.0006","15.6853","0.0008","22.5574","0.0011","72.895","0.002","87.83","0.002","84.825","0.002","3771.7","0.3","193","","193","","","","","","","","","7","P -1","-P 1","2","","","","- C37 H38 F6 N4 O3 P Re -","- C37 H38 F6 N4 O3 P Re -","- C148 H152 F24 N16 O12 P4 Re4 -","4","2","","Abate, Pedro O.; Rizo, José Francisco; Fernández-de-Córdova, Francisco José; Ros, Abel; Rivada-Wheelaghan, Orestes","Acid-responsive rhenium(I) NHC complexes: pyrazine <i>vs.</i> pyridine.","Dalton transactions (Cambridge, England : 2003)","2026","55","11","4677","4686","10.1039/d6dt00158k","","x-ray","0.71073","MoKα","","0.0768","0.0535","","","0.1089","0.1157","","","","","","1.152","","","","has coordinates","305385","2026-04-05","12:11:00",""
"7720281","11.5596","0.0005","23.0747","0.0009","6.7187","0.0003","90","","90","","90","","1792.11","0.13","300","","300","","","","","","","","","3","I m m a","-I 2b 2","74","","","","- Eu Ga2 Te4 -","- Eu Ga2 Te4 -","- Eu8 Ga16 Te32 -","8","0.5","","Jana, Subhendu; Chirantha Edirisinghe, E. A.; Mongkhonratanachai, Machima; Maggard, Paul A.","Crystal growth of metal tellurides from a boron-tellurium mixture: MTr<sub>2</sub>Te<sub>4</sub> (M = Sr, Eu; Tr = In, Ga).","Dalton transactions (Cambridge, England : 2003)","2026","55","11","4574","4583","10.1039/d6dt00156d","","","0.71073","MoKα","","0.027","0.0212","","","0.0591","0.0639","","","","","","1.08","","","","has coordinates","305381","2026-04-05","12:10:21",""
"7720282","8.219","0.0005","8.219","0.0005","6.727","0.0005","90","","90","","90","","454.42","0.05","300","2","300","2","","","","","","","","3","I 4/m c m","-I 4 2c","140","","","","- Ga2 Sr Te4 -","- Ga2 Sr Te4 -","- Ga4 Sr2 Te8 -","2","0.0625","","Jana, Subhendu; Chirantha Edirisinghe, E. A.; Mongkhonratanachai, Machima; Maggard, Paul A.","Crystal growth of metal tellurides from a boron-tellurium mixture: MTr<sub>2</sub>Te<sub>4</sub> (M = Sr, Eu; Tr = In, Ga).","Dalton transactions (Cambridge, England : 2003)","2026","55","11","4574","4583","10.1039/d6dt00156d","","x-ray","0.71073","MoKα","","0.0271","0.0226","","","0.0474","0.0486","","","","","","0.995","","","","has coordinates","305381","2026-04-05","12:10:21",""
"7720283","7.1392","0.0005","11.6314","0.0008","11.6903","0.0009","90","","90","","90","","970.75","0.12","300","","300","","","","","","","","","3","C c c m","-C 2 2c","66","","","","- Eu In2 Te4 -","- Eu In2 Te4 -","- Eu4 In8 Te16 -","4","0.25","","Jana, Subhendu; Chirantha Edirisinghe, E. A.; Mongkhonratanachai, Machima; Maggard, Paul A.","Crystal growth of metal tellurides from a boron-tellurium mixture: MTr<sub>2</sub>Te<sub>4</sub> (M = Sr, Eu; Tr = In, Ga).","Dalton transactions (Cambridge, England : 2003)","2026","55","11","4574","4583","10.1039/d6dt00156d","","","0.71073","MoKα","","0.027","0.0249","","","0.0549","0.0556","","","","","","1.144","","","","has coordinates","305381","2026-04-05","12:10:21",""
"7720284","18.8218","0.0005","16.4998","0.0005","8.2891","0.0002","90","","94.2446","0.0012","90","","2567.17","0.12","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H29 Cl Ti -","- C34 H29 Cl Ti -","- C136 H116 Cl4 Ti4 -","4","1","","Eilers, Marcel; Geik, Dennis; Schmidtmann, Marc; Doye, Sven; Beckhaus, Rüdiger","Expanding the reactivity of Rosenthal's reagent to cyclopropenes and allenes.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5151","5160","10.1039/d6dt00059b","","","1.54178","CuKα","","0.0346","0.033","","","0.0889","0.0902","","","","","","1.084","","","","has coordinates","305374","2026-04-05","12:08:49",""
"7720285","10.0789","0.0005","10.7767","0.0005","12.9427","0.0006","109.046","0.0017","91.4751","0.0017","94.0174","0.0017","1323.81","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H37 Cl Si2 Ti -","- C28 H37 Cl Si2 Ti -","- C56 H74 Cl2 Si4 Ti2 -","2","1","","Eilers, Marcel; Geik, Dennis; Schmidtmann, Marc; Doye, Sven; Beckhaus, Rüdiger","Expanding the reactivity of Rosenthal's reagent to cyclopropenes and allenes.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5151","5160","10.1039/d6dt00059b","","","0.71073","MoKα","","0.0352","0.0312","","","0.0903","0.0931","","","","","","1.045","","","","has coordinates","305374","2026-04-05","12:08:49",""
"7720286","10.1447","0.0002","10.1649","0.0002","13.2164","0.0003","90","","111.274","0.0008","90","","1270","0.05","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C32 H42 Ti -","- C32 H42 Ti -","- C64 H84 Ti2 -","2","1","","Eilers, Marcel; Geik, Dennis; Schmidtmann, Marc; Doye, Sven; Beckhaus, Rüdiger","Expanding the reactivity of Rosenthal's reagent to cyclopropenes and allenes.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5151","5160","10.1039/d6dt00059b","","","0.71073","MoKα","","0.0352","0.0324","","","0.0798","0.0813","","","","","","1.065","","","","has coordinates,has disorder","305374","2026-04-05","12:08:49",""
"7720287","8.5677","0.0004","12.2738","0.0006","15.0541","0.0007","90","","101.237","0.0016","90","","1552.72","0.13","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 O2 Ti -","- C18 H22 O2 Ti -","- C72 H88 O8 Ti4 -","4","1","","Eilers, Marcel; Geik, Dennis; Schmidtmann, Marc; Doye, Sven; Beckhaus, Rüdiger","Expanding the reactivity of Rosenthal's reagent to cyclopropenes and allenes.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5151","5160","10.1039/d6dt00059b","","","0.71073","MoKα","","0.0652","0.0578","","","0.1433","0.1479","","","","","","1.094","","","","has coordinates,has disorder","305374","2026-04-05","12:08:49",""
"7720288","13.9824","0.0005","9.1041","0.0003","17.9064","0.0007","90","","108.573","0.0012","90","","2160.72","0.14","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H38 Ti -","- C28 H38 Ti -","- C112 H152 Ti4 -","4","1","","Eilers, Marcel; Geik, Dennis; Schmidtmann, Marc; Doye, Sven; Beckhaus, Rüdiger","Expanding the reactivity of Rosenthal's reagent to cyclopropenes and allenes.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5151","5160","10.1039/d6dt00059b","","","0.71073","MoKα","","0.0322","0.0277","","","0.0818","0.0849","","","","","","1.053","","","","has coordinates","305374","2026-04-05","12:08:49",""
"7720289","8.1816","0.0003","23.8056","0.0011","25.5009","0.0011","90","","94.4182","0.0016","90","","4952","0.4","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 Ti -","- C20 H26 Ti -","- C240 H312 Ti12 -","12","3","","Eilers, Marcel; Geik, Dennis; Schmidtmann, Marc; Doye, Sven; Beckhaus, Rüdiger","Expanding the reactivity of Rosenthal's reagent to cyclopropenes and allenes.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5151","5160","10.1039/d6dt00059b","","","0.71073","MoKα","","0.0589","0.0485","","","0.0989","0.1027","","","","","","1.137","","","","has coordinates","305374","2026-04-05","12:08:49",""
"7720290","16.1429","0.0007","16.6373","0.0007","16.9216","0.0007","90","","93.376","0.0016","90","","4536.8","0.3","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C30 H30 Ti -","- C30 H30 Ti -","- C240 H240 Ti8 -","8","2","","Eilers, Marcel; Geik, Dennis; Schmidtmann, Marc; Doye, Sven; Beckhaus, Rüdiger","Expanding the reactivity of Rosenthal's reagent to cyclopropenes and allenes.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5151","5160","10.1039/d6dt00059b","","","0.71073","MoKα","","0.0462","0.0374","","","0.099","0.1043","","","","","","1.051","","","","has coordinates","305374","2026-04-05","12:08:49",""
"7720291","9.9598","0.0004","10.8054","0.0005","13.1951","0.0006","110.092","0.0014","91.8127","0.0015","92.8264","0.0015","1330.22","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H40 Si2 Ti -","- C29 H40 Si2 Ti -","- C58 H80 Si4 Ti2 -","2","1","","Eilers, Marcel; Geik, Dennis; Schmidtmann, Marc; Doye, Sven; Beckhaus, Rüdiger","Expanding the reactivity of Rosenthal's reagent to cyclopropenes and allenes.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5151","5160","10.1039/d6dt00059b","","","0.71073","MoKα","","0.0284","0.0262","","","0.0787","0.08","","","","","","1.095","","","","has coordinates","305374","2026-04-05","12:08:49",""
"7720292","7.25","0.0002","15.497","0.0004","11.7203","0.0003","90","","90","","90","","1316.81","0.06","100","2","100","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C16 H18 Ti -","- C16 H18 Ti -","- C64 H72 Ti4 -","4","0.5","","Eilers, Marcel; Geik, Dennis; Schmidtmann, Marc; Doye, Sven; Beckhaus, Rüdiger","Expanding the reactivity of Rosenthal's reagent to cyclopropenes and allenes.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5151","5160","10.1039/d6dt00059b","","","0.71073","MoKα","","0.0334","0.0293","","","0.075","0.0777","","","","","","1.081","","","","has coordinates","305374","2026-04-05","12:08:49",""
"7720293","16.242","0.0014","11.5573","0.0011","32.294","0.003","90","","90","","90","","6062","1","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C36 H54 Ti -","- C36 H54 Ti -","- C288 H432 Ti8 -","8","2","","Eilers, Marcel; Geik, Dennis; Schmidtmann, Marc; Doye, Sven; Beckhaus, Rüdiger","Expanding the reactivity of Rosenthal's reagent to cyclopropenes and allenes.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5151","5160","10.1039/d6dt00059b","","","1.54178","CuKα","","0.0941","0.087","","","0.2104","0.2163","","","","","","1.16","","","","has coordinates,has disorder","305374","2026-04-05","12:08:49",""
"7720294","8.2256","0.0004","15.7546","0.0008","20.0225","0.0009","90","","91.1451","0.0018","90","","2594.2","0.2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C35 H32 Ti -","- C35 H32 Ti -","- C140 H128 Ti4 -","4","1","","Eilers, Marcel; Geik, Dennis; Schmidtmann, Marc; Doye, Sven; Beckhaus, Rüdiger","Expanding the reactivity of Rosenthal's reagent to cyclopropenes and allenes.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5151","5160","10.1039/d6dt00059b","","","0.71073","MoKα","","0.0442","0.0378","","","0.0968","0.1004","","","","","","1.061","","","","has coordinates","305374","2026-04-05","12:08:49",""
"7720295","13.1108","0.0006","10.2423","0.0005","25.2436","0.0011","90","","95.6324","0.0016","90","","3373.5","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H48 D6 Si2 Ti -","- C38 H48 D6 Si2 Ti -","- C152 H192 D24 Si8 Ti4 -","4","1","","Eilers, Marcel; Geik, Dennis; Schmidtmann, Marc; Doye, Sven; Beckhaus, Rüdiger","Expanding the reactivity of Rosenthal's reagent to cyclopropenes and allenes.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5151","5160","10.1039/d6dt00059b","","","0.71073","MoKα","","0.0478","0.0401","","","0.0954","0.099","","","","","","1.127","","","","has coordinates","305374","2026-04-05","12:08:49",""
"7720296","9.7843","0.0007","10.6241","0.0007","12.5157","0.0008","95.663","0.003","95.294","0.003","90.89","0.003","1288.73","0.15","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H38 Si2 Ti -","- C28 H38 Si2 Ti -","- C56 H76 Si4 Ti2 -","2","1","","Eilers, Marcel; Geik, Dennis; Schmidtmann, Marc; Doye, Sven; Beckhaus, Rüdiger","Expanding the reactivity of Rosenthal's reagent to cyclopropenes and allenes.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5151","5160","10.1039/d6dt00059b","","","0.71073","MoKα","","0.044","0.0377","","","0.0988","0.1022","","","","","","1.081","","","","has coordinates","305374","2026-04-05","12:08:49",""
"7720297","15.8813","0.0005","16.4133","0.0005","7.9404","0.0003","90","","96.9409","0.0013","90","","2054.61","0.12","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H34 Ti -","- C26 H34 Ti -","- C104 H136 Ti4 -","4","1","","Eilers, Marcel; Geik, Dennis; Schmidtmann, Marc; Doye, Sven; Beckhaus, Rüdiger","Expanding the reactivity of Rosenthal's reagent to cyclopropenes and allenes.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5151","5160","10.1039/d6dt00059b","","","0.71073","MoKα","","0.0415","0.0358","","","0.0839","0.0863","","","","","","1.097","","","","has coordinates","305374","2026-04-05","12:08:49",""
"7720298","22.1525","0.0004","22.1525","0.0004","24.1648","0.0008","90","","90","","90","","11858.5","0.5","100","2","100","2","","","","","","","","3","P 43","P 4cw","78","","","","- C40 H34 Ti -","- C40 H34 Ti -","- C640 H544 Ti16 -","16","4","","Eilers, Marcel; Geik, Dennis; Schmidtmann, Marc; Doye, Sven; Beckhaus, Rüdiger","Expanding the reactivity of Rosenthal's reagent to cyclopropenes and allenes.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5151","5160","10.1039/d6dt00059b","","","1.54178","CuKα","","0.0822","0.0681","","","0.1675","0.1787","","","","","","1.097","","","","has coordinates","305374","2026-04-05","12:08:49",""
"7720299","15.1717","0.0007","13.7665","0.0006","16.4988","0.0007","90","","103.54","0.0017","90","","3350.2","0.3","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C40 H58 Ti -","- C40 H58 Ti -","- C160 H232 Ti4 -","4","1","","Eilers, Marcel; Geik, Dennis; Schmidtmann, Marc; Doye, Sven; Beckhaus, Rüdiger","Expanding the reactivity of Rosenthal's reagent to cyclopropenes and allenes.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5151","5160","10.1039/d6dt00059b","","","0.71073","MoKα","","0.0559","0.0463","","","0.1089","0.1131","","","","","","1.133","","","","has coordinates,has disorder","305374","2026-04-05","12:08:49",""
"7720300","14.202","0.0003","14.202","0.0003","22.6244","0.0006","90","","90","","90","","4563.27","0.18","100","2","100","2","","","","","","","","3","I -4 2 d","I -4 2bw","122","","","","- C28 H26 Ti -","- C28 H26 Ti -","- C224 H208 Ti8 -","8","0.5","","Eilers, Marcel; Geik, Dennis; Schmidtmann, Marc; Doye, Sven; Beckhaus, Rüdiger","Expanding the reactivity of Rosenthal's reagent to cyclopropenes and allenes.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5151","5160","10.1039/d6dt00059b","","","0.71073","MoKα","","0.0215","0.0208","","","0.0586","0.059","","","","","","1.114","","","","has coordinates","305374","2026-04-05","12:08:49",""
"7720301","11.2225","0.0004","16.2455","0.0006","15.1819","0.0005","90","","95.0952","0.0012","90","","2756.95","0.17","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C37 H34 D3 Ti -","- C37 H34 D3 Ti -","- C148 H136 D12 Ti4 -","4","1","","Eilers, Marcel; Geik, Dennis; Schmidtmann, Marc; Doye, Sven; Beckhaus, Rüdiger","Expanding the reactivity of Rosenthal's reagent to cyclopropenes and allenes.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5151","5160","10.1039/d6dt00059b","","","0.71073","MoKα","","0.0386","0.0333","","","0.0907","0.0941","","","","","","1.054","","","","has coordinates,has disorder","305374","2026-04-05","12:08:49",""
"7720302","11.2614","0.0003","13.622","0.0003","27.5513","0.0009","90","","95.802","0.001","90","","4204.8","0.2","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H52 Cl3 N O2 P Re -","- C44 H52 Cl3 N O2 P Re -","- C176 H208 Cl12 N4 O8 P4 Re4 -","4","1","","Petrov, Pavel A.; Dmitriev, Alexey A.; Semikina, Anastasiia D.; Eltsov, Ilia V.; Sukhikh, Taisiya S.; Lavrov, Alexander N.; Gushchin, Artem L.; Sokolov, Maxim N.; Gritsan, Nina P.","Electronic structure and magnetic properties of rhenium complexes with an iminoxolene ligand: experimental and computational studies.","Dalton transactions (Cambridge, England : 2003)","2026","55","8","3428","3441","10.1039/d5dt02698a","","","0.71073","MoKα","","0.0496","0.0353","","","0.0741","0.0778","","","","","","1.059","","","","has coordinates","304608","2026-02-24","23:56:45",""
"7720303","11.5787","0.0003","11.9253","0.0003","23.4028","0.0006","79.96","0.001","83.967","0.001","79.271","0.001","3117.51","0.14","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C68 H76 Cl3 N O2 P Re -","- C68 H76 Cl3 N O2 P Re -","- C136 H152 Cl6 N2 O4 P2 Re2 -","2","1","","Petrov, Pavel A.; Dmitriev, Alexey A.; Semikina, Anastasiia D.; Eltsov, Ilia V.; Sukhikh, Taisiya S.; Lavrov, Alexander N.; Gushchin, Artem L.; Sokolov, Maxim N.; Gritsan, Nina P.","Electronic structure and magnetic properties of rhenium complexes with an iminoxolene ligand: experimental and computational studies.","Dalton transactions (Cambridge, England : 2003)","2026","55","8","3428","3441","10.1039/d5dt02698a","","","0.71073","MoKα","","0.0309","0.0253","","","0.0479","0.0495","","","","","","1.042","","","","has coordinates,has disorder","304608","2026-02-24","23:56:46",""
"7720304","11.432","0.0002","13.6478","0.0003","13.7555","0.0003","99.285","0.001","93.487","0.001","96.541","0.001","2097.37","0.08","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H52 Cl3 N O P Re -","- C44 H52 Cl3 N O P Re -","- C88 H104 Cl6 N2 O2 P2 Re2 -","2","1","","Petrov, Pavel A.; Dmitriev, Alexey A.; Semikina, Anastasiia D.; Eltsov, Ilia V.; Sukhikh, Taisiya S.; Lavrov, Alexander N.; Gushchin, Artem L.; Sokolov, Maxim N.; Gritsan, Nina P.","Electronic structure and magnetic properties of rhenium complexes with an iminoxolene ligand: experimental and computational studies.","Dalton transactions (Cambridge, England : 2003)","2026","55","8","3428","3441","10.1039/d5dt02698a","","","0.71073","MoKα","","0.0298","0.0257","","","0.0495","0.0519","","","","","","1.041","","","","has coordinates","304608","2026-02-24","23:56:46",""
"7720305","40.471","0.003","10.0512","0.0006","19.8546","0.0014","90","","101.752","0.004","90","","7907.2","0.9","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C38 H51 Cl4 Co N O1.5 Re -","- C38 H51 Cl4 Co N O1.5 Re -","- C304 H408 Cl32 Co8 N8 O12 Re8 -","8","1","","Petrov, Pavel A.; Dmitriev, Alexey A.; Semikina, Anastasiia D.; Eltsov, Ilia V.; Sukhikh, Taisiya S.; Lavrov, Alexander N.; Gushchin, Artem L.; Sokolov, Maxim N.; Gritsan, Nina P.","Electronic structure and magnetic properties of rhenium complexes with an iminoxolene ligand: experimental and computational studies.","Dalton transactions (Cambridge, England : 2003)","2026","55","8","3428","3441","10.1039/d5dt02698a","","","1.54178","CuKα","","0.0614","0.0565","","","0.1391","0.1426","","","","","","1.079","","","","has coordinates,has disorder","304608","2026-02-24","23:56:46",""
"7720306","11.678","0.0001","19.601","0.0002","18.4713","0.0002","90","","106.362","0.001","90","","4056.86","0.07","180","","180","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","SKRINT004","","- C45 H48 Dy N O8 -","- C45 H48 Dy N O8 -","- C180 H192 Dy4 N4 O32 -","4","1","","Kuppusamy, Senthil Kumar; Pachl, Christian; Jing, Zhaoyang; Paul, Sagar; Heinrich, Benoît; Fuhr, Olaf; Klyatskaya, Svetlana; Wernsdorfer, Wolfgang; Powell, Annie K.; Fink, Karin; Ruben, Mario","Ligand-field symmetry and magneto-optical correlations in a luminescent Dy(III) single-molecule magnet.","Dalton transactions (Cambridge, England : 2003)","2026","55","14","5448","5465","10.1039/d6dt00081a","","x-ray","0.71073","MoKα","","0.0249","0.0227","","","0.0572","0.0583","","","","","","1.027","","","","has coordinates","305822","2026-05-05","09:17:47",""
"7720307","11.7028","0.0003","19.5824","0.0004","18.507","0.0005","90","","106.55","0.002","90","","4065.52","0.18","180","","180","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C45 H48 Gd N O8 -","- C45 H48 Gd N O8 -","- C180 H192 Gd4 N4 O32 -","4","1","","Kuppusamy, Senthil Kumar; Pachl, Christian; Jing, Zhaoyang; Paul, Sagar; Heinrich, Benoît; Fuhr, Olaf; Klyatskaya, Svetlana; Wernsdorfer, Wolfgang; Powell, Annie K.; Fink, Karin; Ruben, Mario","Ligand-field symmetry and magneto-optical correlations in a luminescent Dy(III) single-molecule magnet.","Dalton transactions (Cambridge, England : 2003)","2026","55","14","5448","5465","10.1039/d6dt00081a","","x-ray","0.71073","MoKα","","0.0599","0.0295","","","0.0514","0.0546","","","","","","0.861","","","","has coordinates","305822","2026-05-05","09:17:47",""
"7720308","6.0639","0.0002","8.0448","0.0003","14.3987","0.0006","90","","90","","90","","702.41","0.05","100","0.2","100","0.2","","","","","","","","5","I m m m","-I 2 2","71","","Acetamidinium bromocuprate","","- C2 H7 Br2 Cu N2 -","- C2 H7 Br2 Cu N2 -","- C8 H28 Br8 Cu4 N8 -","4","0.25","","Petrov, Andrey A.; Chen, Luyi; Li, Mingming; Fateev, Sergey A.","Structural and luminescence properties of acetamidinium- and imidazolium-based copper halides.","Dalton transactions (Cambridge, England : 2003)","2026","55","8","3422","3427","10.1039/d5dt02254a","","x-ray","0.71073","MoKα","","0.0173","0.016","","","0.0344","0.035","","","","","","1.14","","","","has coordinates,has disorder","304610","2026-02-24","23:57:52",""
"7720309","15.3264","0.0014","8.8529","0.0009","11.8454","0.0018","90","","118.931","0.003","90","","1406.6","0.3","100","0.2","100","0.2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","Imidazolium bromocuprate","","- C3 H5 Br2 Cu N2 -","- C3 H5 Br2 Cu N2 -","- C24 H40 Br16 Cu8 N16 -","8","1","","Petrov, Andrey A.; Chen, Luyi; Li, Mingming; Fateev, Sergey A.","Structural and luminescence properties of acetamidinium- and imidazolium-based copper halides.","Dalton transactions (Cambridge, England : 2003)","2026","55","8","3422","3427","10.1039/d5dt02254a","","x-ray","0.71073","MoKα","","0.0529","0.0351","","","0.0721","0.0797","","","","","","1.089","","","","has coordinates","304610","2026-02-24","23:57:52",""
"7720310","6.3429","0.0003","8.6068","0.0004","14.8678","0.0009","90","","90","","90","","811.66","0.07","100","0.2","100","0.2","","","","","","","","5","I m m m","-I 2 2","71","","Acetamidinium iodocuprate","","- C2 H7 Cu I2 N2 -","- C2 H7 Cu I2 N2 -","- C8 H28 Cu4 I8 N8 -","4","0.25","","Petrov, Andrey A.; Chen, Luyi; Li, Mingming; Fateev, Sergey A.","Structural and luminescence properties of acetamidinium- and imidazolium-based copper halides.","Dalton transactions (Cambridge, England : 2003)","2026","55","8","3422","3427","10.1039/d5dt02254a","","x-ray","0.71073","MoKα","","0.0217","0.0166","","","0.0318","0.032","","","","","","1.26","","","","has coordinates","304610","2026-02-24","23:57:53",""
"7720311","8.5159","0.0007","14.1096","0.0011","10.9304","0.0008","90","","106.81","0.003","90","","1257.23","0.17","298","","298","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Imidazolium iodocuprate","","- C9 H15 Cu3 I6 N6 -","- C9 H15 Cu3 I6 N6 -","- C18 H30 Cu6 I12 N12 -","2","0.5","","Petrov, Andrey A.; Chen, Luyi; Li, Mingming; Fateev, Sergey A.","Structural and luminescence properties of acetamidinium- and imidazolium-based copper halides.","Dalton transactions (Cambridge, England : 2003)","2026","55","8","3422","3427","10.1039/d5dt02254a","","x-ray","0.71073","MoKα","","0.0599","0.0354","","","0.0639","0.0721","","","","","","1.028","","","","has coordinates,has disorder","304610","2026-02-24","23:57:53",""
"7720312","8.6966","0.0004","8.7794","0.0004","20.5773","0.001","80.5648","0.0014","79.647","0.0014","88.3127","0.0014","1524.61","0.12","100.15","","100.15","","","","","","","","","7","P -1","-P 1","2","","","","- C8.5 H18 F1.5 K0.5 N0.25 O5 S0.5 -","- C8.5 H18 F1.5 K0.5 N0.25 O5 S0.5 -","- C34 H72 F6 K2 N O20 S2 -","4","2","","Geysens, Pieter; Heyns, Roy; Markowski, Robert; Ingenmey, Johannes; Van Meervelt, Luc; Vlad, Alexandru; Kirchner, Barbara; Fransaer, Jan; Binnemans, Koen","Solvation structures of potassium bis(trifluoromethylsulfonyl)imide-glyme highly concentrated electrolytes and cycling on organic cathodes.","Dalton transactions (Cambridge, England : 2003)","2026","55","8","3346","3362","10.1039/d5dt02781k","","","0.56086","AgKα","","0.0679","0.0657","","","0.1974","0.2003","","","","","","1.049","","","","has coordinates,has disorder","304611","2026-02-24","23:58:17",""
"7720313","10.2471","0.0003","10.8285","0.0003","19.6984","0.0006","90","","100.565","0.002","90","","2148.69","0.11","173","","173","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C46 H38 Au2 Co F6 P3 -","- C46 H38 Au2 Co F6 P3 -","- C92 H76 Au4 Co2 F12 P6 -","2","1","","Menia, D.; Neururer, F. R.; Wurst, K.; Lippmann, P.; Esarev, I. V.; Seidl, M.; Ott, I.; Podewitz, M.; Hohloch, S.; Bildstein, B.","Cobalt-based metallo-mesoionic carbene gold complexes with antiproliferative effects.","Dalton transactions (Cambridge, England : 2003)","2026","55","8","3259","3265","10.1039/d5dt02549d","","","0.71073","MoKα","","0.0146","0.0142","","","0.0328","0.033","","","","","","0.8168","","","","has coordinates","304612","2026-02-24","23:59:53",""
"7720314","18.8509","0.0006","18.2773","0.0006","19.9621","0.0006","90","","107.105","0.001","90","","6573.6","0.4","173","","173","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C66 H83 Au2 Co F6 N5 P -","- C66 H83 Au2 Co F6 N5 P -","- C264 H332 Au8 Co4 F24 N20 P4 -","4","1","","Menia, D.; Neururer, F. R.; Wurst, K.; Lippmann, P.; Esarev, I. V.; Seidl, M.; Ott, I.; Podewitz, M.; Hohloch, S.; Bildstein, B.","Cobalt-based metallo-mesoionic carbene gold complexes with antiproliferative effects.","Dalton transactions (Cambridge, England : 2003)","2026","55","8","3259","3265","10.1039/d5dt02549d","","","0.71073","MoKα","","0.0242","0.0191","","","0.044","0.046","","","","","","1.029","","","","has coordinates","304612","2026-02-24","23:59:53",""
"7720315","7.5721","0.0003","10.2081","0.0004","16.7183","0.0006","89.107","0.001","82.765","0.001","68.71","0.001","1193.86","0.08","300","","300","","","","","","","","","6","P -1","-P 1","2","","","","- C16 H26 Au2 Co F6 P3 -","- C16 H26 Au2 Co F6 P3 -","- C32 H52 Au4 Co2 F12 P6 -","2","1","","Menia, D.; Neururer, F. R.; Wurst, K.; Lippmann, P.; Esarev, I. V.; Seidl, M.; Ott, I.; Podewitz, M.; Hohloch, S.; Bildstein, B.","Cobalt-based metallo-mesoionic carbene gold complexes with antiproliferative effects.","Dalton transactions (Cambridge, England : 2003)","2026","55","8","3259","3265","10.1039/d5dt02549d","","","0.71073","MoKα","","0.0322","0.0268","","","0.0663","0.0691","","","","","","1.045","","","","has coordinates,has disorder","304612","2026-02-24","23:59:53",""
"7720316","10.5205","0.0004","16.7597","0.0006","21.5735","0.0009","90","","90","","90","","3803.8","0.3","173","","173","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C36 H44 Au2 Co F6 N4 P -","- C36 H44 Au2 Co F6 N4 P -","- C144 H176 Au8 Co4 F24 N16 P4 -","4","1","","Menia, D.; Neururer, F. R.; Wurst, K.; Lippmann, P.; Esarev, I. V.; Seidl, M.; Ott, I.; Podewitz, M.; Hohloch, S.; Bildstein, B.","Cobalt-based metallo-mesoionic carbene gold complexes with antiproliferative effects.","Dalton transactions (Cambridge, England : 2003)","2026","55","8","3259","3265","10.1039/d5dt02549d","","","0.71073","MoKα","","0.0247","0.0231","","","0.0544","0.0551","","","","","","1.112","","","","has coordinates","304612","2026-02-24","23:59:53",""
"7720317","10.3167","0.0003","18.8606","0.0006","12.9706","0.0005","90","","100.561","0.001","90","","2481.06","0.14","173","","173","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C23 H27 Au Co F6 N2 P -","- C23 H27 Au Co F6 N2 P -","- C92 H108 Au4 Co4 F24 N8 P4 -","4","1","","Menia, D.; Neururer, F. R.; Wurst, K.; Lippmann, P.; Esarev, I. V.; Seidl, M.; Ott, I.; Podewitz, M.; Hohloch, S.; Bildstein, B.","Cobalt-based metallo-mesoionic carbene gold complexes with antiproliferative effects.","Dalton transactions (Cambridge, England : 2003)","2026","55","8","3259","3265","10.1039/d5dt02549d","","","0.71073","MoKα","","0.0182","0.0166","","","0.0388","0.0395","","","","","","1.05","","","","has coordinates","304612","2026-02-24","23:59:53",""
"7720318","11.0209","0.0004","12.9996","0.0005","19.0417","0.0007","90","","90","","90","","2728.05","0.18","173","2","173","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H24 Au Co F6 P2 -","- C28 H24 Au Co F6 P2 -","- C112 H96 Au4 Co4 F24 P8 -","4","1","","Menia, D.; Neururer, F. R.; Wurst, K.; Lippmann, P.; Esarev, I. V.; Seidl, M.; Ott, I.; Podewitz, M.; Hohloch, S.; Bildstein, B.","Cobalt-based metallo-mesoionic carbene gold complexes with antiproliferative effects.","Dalton transactions (Cambridge, England : 2003)","2026","55","8","3259","3265","10.1039/d5dt02549d","","","0.71073","MoKα","","0.0207","0.0187","","","0.0477","0.0483","","","","","","1.0536","","","","has coordinates,has disorder","304612","2026-02-24","23:59:54",""
"7720319","15.328","0.0007","13.7476","0.0005","19.31","0.0008","90","","112.457","0.001","90","","3760.5","0.3","173","","173","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C37 H45 Au Co F6 N2 P -","- C37 H45 Au Co F6 N2 P -","- C148 H180 Au4 Co4 F24 N8 P4 -","4","1","","Menia, D.; Neururer, F. R.; Wurst, K.; Lippmann, P.; Esarev, I. V.; Seidl, M.; Ott, I.; Podewitz, M.; Hohloch, S.; Bildstein, B.","Cobalt-based metallo-mesoionic carbene gold complexes with antiproliferative effects.","Dalton transactions (Cambridge, England : 2003)","2026","55","8","3259","3265","10.1039/d5dt02549d","","","0.71073","MoKα","","0.0333","0.0239","","","0.051","0.0557","","","","","","1.0235","","","","has coordinates,has disorder","304612","2026-02-24","23:59:54",""
"7720320","6.0802","0.0003","29.753","0.0013","15.7206","0.0006","90","","90.991","0.002","90","","2843.5","0.2","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","mu-sulfato-di-copper-bis-1-(2-Pyridylazo)-2-naphtholato","","- C30 H24 Cu2 N6 O8 S -","- C30 H24 Cu2 N6 O8 S -","- C120 H96 Cu8 N24 O32 S4 -","4","1","","Goudjil, Meriem; Mattei, Carlo Andrea; Tacconi, Leonardo; Chelazzi, Laura; Perfetti, Mauro","Unusual slow magnetic relaxation in a sulfate-bridged copper(II) complex with 1-(2-pyridylazo)-2-naphthol ligand.","Dalton transactions (Cambridge, England : 2003)","2026","55","8","3336","3345","10.1039/d6dt00068a","","x-ray","1.54178","CuKα","","0.0568","0.0503","","","0.1438","0.1482","","","","","","1.086","","","","has coordinates","304613","2026-02-25","00:00:23",""
"7720321","6.4703","0.0013","12.839","0.0007","20.797","0.004","90","","90","","90","","1727.7","0.5","293","2","293","2","","","","","","","","6","P b n m","-P 2c 2ab","62","","","","- C4 H14 Cl2 I4 N2 Pb -","- C4 H14 Cl2 I4 N2 Pb -","- C16 H56 Cl8 I16 N8 Pb4 -","4","0.5","","Yang, Linfei; Gan, Xiaoyan; Zhao, Gang; Huang, Qiang; Liao, Jianhua; Wang, Changsheng; Liu, Hanxing","Halide exchange in (ClEA)<sub>2</sub>PbI<sub>4</sub> and its effect on the structural and electronic properties of perovskite layers.","Dalton transactions (Cambridge, England : 2003)","2026","55","10","4259","4268","10.1039/d5dt03099d","","x-ray","0.71073","MoKα","","","0.0395","","","","0.0984","","","","","","1.073","","","","has coordinates","305364","2026-04-05","12:03:42",""
"7720322","14.6027","0.0006","21.7734","0.0005","14.8966","0.0006","90","","118.517","0.005","90","","4161.7","0.3","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C46 H44 B Br2 F2 Mn N4 O2 -","- C46 H44 B Br2 F2 Mn N4 O2 -","- C184 H176 B4 Br8 F8 Mn4 N16 O8 -","4","1","","Korchagin, D. V.; Shilov, G. V.; Zhidkov, M. V.; Dmitriev, A. I.; Palii, A. V.; Yagubskii, E. B.; Aldoshin, S. M.","Dihalogen-substituted [Mn<sup>III</sup>(3,5-diHal-sal<sub>2</sub>323)]BPh<sub>4</sub> salts: so similar but so different.","Dalton transactions (Cambridge, England : 2003)","2026","55","12","5064","5074","10.1039/d5dt03065j","","x-ray","0.71073","MoKα","","0.0816","0.0486","","","0.0999","0.1121","","","","","","1.041","","","","has coordinates,has disorder","305399","2026-04-05","12:14:40",""
"7720323","15.203","0.0004","22.844","0.0005","14.1868","0.0004","90","","115.065","0.003","90","","4463","0.2","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C46 H44 B I4 Mn N4 O2 -","- C46 H44 B I4 Mn N4 O2 -","- C184 H176 B4 I16 Mn4 N16 O8 -","4","1","","Korchagin, D. V.; Shilov, G. V.; Zhidkov, M. V.; Dmitriev, A. I.; Palii, A. V.; Yagubskii, E. B.; Aldoshin, S. M.","Dihalogen-substituted [Mn<sup>III</sup>(3,5-diHal-sal<sub>2</sub>323)]BPh<sub>4</sub> salts: so similar but so different.","Dalton transactions (Cambridge, England : 2003)","2026","55","12","5064","5074","10.1039/d5dt03065j","","x-ray","0.71073","MoKα","","0.0325","0.0303","","","0.0611","0.0628","","","","","","1.024","","","","has coordinates,has disorder","305399","2026-04-05","12:14:40",""
"7720324","14.6442","0.0007","21.9152","0.0008","14.9298","0.0005","90","","118.679","0.005","90","","4203.6","0.4","160","2","160","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C46 H44 B Br2 F2 Mn N4 O2 -","- C46 H44 B Br2 F2 Mn N4 O2 -","- C184 H176 B4 Br8 F8 Mn4 N16 O8 -","4","1","","Korchagin, D. V.; Shilov, G. V.; Zhidkov, M. V.; Dmitriev, A. I.; Palii, A. V.; Yagubskii, E. B.; Aldoshin, S. M.","Dihalogen-substituted [Mn<sup>III</sup>(3,5-diHal-sal<sub>2</sub>323)]BPh<sub>4</sub> salts: so similar but so different.","Dalton transactions (Cambridge, England : 2003)","2026","55","12","5064","5074","10.1039/d5dt03065j","","x-ray","0.71073","MoKα","","0.0894","0.0509","","","0.0919","0.1049","","","","","","1.039","","","","has coordinates,has disorder","305399","2026-04-05","12:14:40",""
"7720325","13.5019","0.0004","14.1532","0.0004","23.1498","0.0007","79.988","0.003","86.273","0.003","76.064","0.002","4227","0.2","100.15","","100.15","","","","","","","","","8","P 1","P 1","1","","","","- C46 H44 B Br2 Cl2 Mn N4 O2 -","- C46 H44 B Br2 Cl2 Mn N4 O2 -","- C184 H176 B4 Br8 Cl8 Mn4 N16 O8 -","4","4","","Korchagin, D. V.; Shilov, G. V.; Zhidkov, M. V.; Dmitriev, A. I.; Palii, A. V.; Yagubskii, E. B.; Aldoshin, S. M.","Dihalogen-substituted [Mn<sup>III</sup>(3,5-diHal-sal<sub>2</sub>323)]BPh<sub>4</sub> salts: so similar but so different.","Dalton transactions (Cambridge, England : 2003)","2026","55","12","5064","5074","10.1039/d5dt03065j","","x-ray","0.71073","MoKα","","0.0702","0.0498","","","0.1158","0.12","","","","","","1.031","","","","has coordinates","305399","2026-04-05","12:14:40",""
"7720326","14.7203","0.0008","22.2056","0.001","14.9807","0.0008","90","","118.807","0.007","90","","4290.8","0.5","300","2","300","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C46 H44 B Br2 F2 Mn N4 O2 -","- C46 H44 B Br2 F2 Mn N4 O2 -","- C184 H176 B4 Br8 F8 Mn4 N16 O8 -","4","1","","Korchagin, D. V.; Shilov, G. V.; Zhidkov, M. V.; Dmitriev, A. I.; Palii, A. V.; Yagubskii, E. B.; Aldoshin, S. M.","Dihalogen-substituted [Mn<sup>III</sup>(3,5-diHal-sal<sub>2</sub>323)]BPh<sub>4</sub> salts: so similar but so different.","Dalton transactions (Cambridge, England : 2003)","2026","55","12","5064","5074","10.1039/d5dt03065j","","x-ray","0.71073","MoKα","","0.1052","0.0545","","","0.0975","0.1192","","","","","","1.082","","","","has coordinates,has disorder","305399","2026-04-05","12:14:40",""
"7720327","15.2521","0.0003","22.9461","0.0003","14.2321","0.0003","90","","115.189","0.002","90","","4507.26","0.16","170","2","170","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C46 H44 B I4 Mn N4 O2 -","- C46 H44 B I4 Mn N4 O2 -","- C184 H176 B4 I16 Mn4 N16 O8 -","4","1","","Korchagin, D. V.; Shilov, G. V.; Zhidkov, M. V.; Dmitriev, A. I.; Palii, A. V.; Yagubskii, E. B.; Aldoshin, S. M.","Dihalogen-substituted [Mn<sup>III</sup>(3,5-diHal-sal<sub>2</sub>323)]BPh<sub>4</sub> salts: so similar but so different.","Dalton transactions (Cambridge, England : 2003)","2026","55","12","5064","5074","10.1039/d5dt03065j","","x-ray","0.71073","MoKα","","0.0298","0.0275","","","0.0619","0.0633","","","","","","1.041","","","","has coordinates,has disorder","305399","2026-04-05","12:14:40",""
"7720328","14.6848","0.0008","22.1385","0.001","14.9688","0.0007","90","","118.962","0.007","90","","4257.8","0.5","240","2","240","1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C46 H44 B Br2 F2 Mn N4 O2 -","- C46 H44 B Br2 F2 Mn N4 O2 -","- C184 H176 B4 Br8 F8 Mn4 N16 O8 -","4","1","","Korchagin, D. V.; Shilov, G. V.; Zhidkov, M. V.; Dmitriev, A. I.; Palii, A. V.; Yagubskii, E. B.; Aldoshin, S. M.","Dihalogen-substituted [Mn<sup>III</sup>(3,5-diHal-sal<sub>2</sub>323)]BPh<sub>4</sub> salts: so similar but so different.","Dalton transactions (Cambridge, England : 2003)","2026","55","12","5064","5074","10.1039/d5dt03065j","","x-ray","0.71073","MoKα","","0.1272","0.0584","","","0.1017","0.1265","","","","","","1.062","","","","has coordinates,has disorder","305399","2026-04-05","12:14:40",""
"7720329","14.8323","0.0004","22.6587","0.0005","14.1871","0.0005","90","","116.578","0.004","90","","4264.2","0.3","170","2","170","2","","","","","","","","8","P 1 c 1","P -2yc","7","","","","- C46 H44 B Br2 Cl2 Mn N4 O2 -","- C46 H44 B Br2 Cl2 Mn N4 O2 -","- C184 H176 B4 Br8 Cl8 Mn4 N16 O8 -","4","2","","Korchagin, D. V.; Shilov, G. V.; Zhidkov, M. V.; Dmitriev, A. I.; Palii, A. V.; Yagubskii, E. B.; Aldoshin, S. M.","Dihalogen-substituted [Mn<sup>III</sup>(3,5-diHal-sal<sub>2</sub>323)]BPh<sub>4</sub> salts: so similar but so different.","Dalton transactions (Cambridge, England : 2003)","2026","55","12","5064","5074","10.1039/d5dt03065j","","x-ray","0.71073","MoKα","","0.0693","0.042","","","0.0846","0.0969","","","","","","1.01","","","","has coordinates,has disorder","305399","2026-04-05","12:14:40",""
"7720330","15.2632","0.0005","23.0148","0.0006","14.2934","0.0005","90","","115.259","0.004","90","","4540.9","0.3","240","2","240","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C46 H44 B I4 Mn N4 O2 -","- C46 H44 B I4 Mn N4 O2 -","- C184 H176 B4 I16 Mn4 N16 O8 -","4","1","","Korchagin, D. V.; Shilov, G. V.; Zhidkov, M. V.; Dmitriev, A. I.; Palii, A. V.; Yagubskii, E. B.; Aldoshin, S. M.","Dihalogen-substituted [Mn<sup>III</sup>(3,5-diHal-sal<sub>2</sub>323)]BPh<sub>4</sub> salts: so similar but so different.","Dalton transactions (Cambridge, England : 2003)","2026","55","12","5064","5074","10.1039/d5dt03065j","","x-ray","0.71073","MoKα","","0.0392","0.0345","","","0.0684","0.0714","","","","","","1.025","","","","has coordinates,has disorder","305399","2026-04-05","12:14:40",""
"7720331","14.9035","0.0007","22.8438","0.0009","14.3442","0.0008","90","","116.755","0.006","90","","4360.7","0.4","300","2","300","1","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C46 H44 B Br2 Cl2 Mn N4 O2 -","- C46 H44 B Br2 Cl2 Mn N4 O2 -","- C184 H176 B4 Br8 Cl8 Mn4 N16 O8 -","4","1","","Korchagin, D. V.; Shilov, G. V.; Zhidkov, M. V.; Dmitriev, A. I.; Palii, A. V.; Yagubskii, E. B.; Aldoshin, S. M.","Dihalogen-substituted [Mn<sup>III</sup>(3,5-diHal-sal<sub>2</sub>323)]BPh<sub>4</sub> salts: so similar but so different.","Dalton transactions (Cambridge, England : 2003)","2026","55","12","5064","5074","10.1039/d5dt03065j","","x-ray","0.71073","MoKα","","0.0566","0.0427","","","0.0988","0.1068","","","","","","0.986","","","","has coordinates,has disorder","305399","2026-04-05","12:14:40",""
"7720332","14.7783","0.001","22.2504","0.0016","15.0138","0.0009","90","","118.66","0.008","90","","4332","0.6","350","2","350","0.1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C46 H44 B Br2 F2 Mn N4 O2 -","- C46 H44 B Br2 F2 Mn N4 O2 -","- C184 H176 B4 Br8 F8 Mn4 N16 O8 -","4","1","","Korchagin, D. V.; Shilov, G. V.; Zhidkov, M. V.; Dmitriev, A. I.; Palii, A. V.; Yagubskii, E. B.; Aldoshin, S. M.","Dihalogen-substituted [Mn<sup>III</sup>(3,5-diHal-sal<sub>2</sub>323)]BPh<sub>4</sub> salts: so similar but so different.","Dalton transactions (Cambridge, England : 2003)","2026","55","12","5064","5074","10.1039/d5dt03065j","","x-ray","0.71073","MoKα","","0.1247","0.0568","","","0.0881","0.1117","","","","","","1.058","","","","has coordinates,has disorder","305399","2026-04-05","12:14:40",""
"7720333","14.8718","0.0005","22.7589","0.0006","14.2705","0.0005","90","","116.662","0.004","90","","4316.5","0.3","240","2","240","2","","","","","","","","8","P 1 c 1","P -2yc","7","","","","- C46 H44 B Br2 Cl2 Mn N4 O2 -","- C46 H44 B Br2 Cl2 Mn N4 O2 -","- C184 H176 B4 Br8 Cl8 Mn4 N16 O8 -","4","2","","Korchagin, D. V.; Shilov, G. V.; Zhidkov, M. V.; Dmitriev, A. I.; Palii, A. V.; Yagubskii, E. B.; Aldoshin, S. M.","Dihalogen-substituted [Mn<sup>III</sup>(3,5-diHal-sal<sub>2</sub>323)]BPh<sub>4</sub> salts: so similar but so different.","Dalton transactions (Cambridge, England : 2003)","2026","55","12","5064","5074","10.1039/d5dt03065j","","x-ray","0.71073","MoKα","","0.0721","0.0431","","","0.1013","0.1186","","","","","","1.012","","","","has coordinates,has disorder","305399","2026-04-05","12:14:40",""
"7720334","4.8341","0.0004","15.6709","0.0013","7.643","0.0005","90","","90","","90","","578.99","0.08","300","","300","","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Ag Cl Cs I -","- Ag Cl Cs I -","- Ag4 Cl4 Cs4 I4 -","4","0.25","","Cheng, Bingliang; Ma, Wenjuan; Hu, Cong; Lv, Yuhan; Li, Zongxiao; Zhao, Jianchao; Bo, Tao; Lin, Wenwen","Realization of the transition from an indirect band gap to a direct band gap through halogen regulation in the Cs-Ag-X system.","Dalton transactions (Cambridge, England : 2003)","2026","55","11","4402","4405","10.1039/d6dt00040a","","","0.71073","MoKα","","0.0241","0.0228","","","0.0512","0.0517","","","","","","1.0297","","","","has coordinates","305380","2026-04-05","12:10:11",""
"7720335","10.08","0.0016","4.8981","0.0008","19.635","0.003","90","","90","","90","","969.4","0.3","300","","300","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ag Br2 Cs2 I -","- Ag Br2 Cs2 I -","- Ag4 Br8 Cs8 I4 -","4","0.5","","Cheng, Bingliang; Ma, Wenjuan; Hu, Cong; Lv, Yuhan; Li, Zongxiao; Zhao, Jianchao; Bo, Tao; Lin, Wenwen","Realization of the transition from an indirect band gap to a direct band gap through halogen regulation in the Cs-Ag-X system.","Dalton transactions (Cambridge, England : 2003)","2026","55","11","4402","4405","10.1039/d6dt00040a","","","0.71073","MoKα","","0.0182","0.0173","","","0.0391","0.0394","","","","","","1.0708","","","","has coordinates","305380","2026-04-05","12:10:11",""
"7720336","11.07145","0.00016","20.303","0.0002","23.5096","0.0002","110.36","0.0009","100.723","0.001","102.875","0.0011","4624.63","0.11","99.99","0.1","99.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C84 H74 Au2 Br2 N4 -","- C84 H74 Au2 Br2 N4 -","- C168 H148 Au4 Br4 N8 -","2","1","","Halikowska-Tarasek, Katarzyna; Dziuk, Błażej; Szostak, Roman; Szostak, Michal; Bisz, Elwira","IPr*<sup>BndiNHC</sup> - sterically adaptable benzyl-linked dinuclear N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2026","55","16","6282","6293","10.1039/d6dt00096g","","x-ray","1.54184","CuKα","","0.0637","0.0596","","","0.1673","0.1699","","","","","","1.027","","","","has coordinates","305803","2026-05-05","09:12:29",""
"7720337","10.5128","0.0001","19.5815","0.0001","17.9622","0.0001","90","","94.184","0.001","90","","3687.78","0.05","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H40 Au Br N2 -","- C45 H40 Au Br N2 -","- C180 H160 Au4 Br4 N8 -","4","1","","Halikowska-Tarasek, Katarzyna; Dziuk, Błażej; Szostak, Roman; Szostak, Michal; Bisz, Elwira","IPr*<sup>BndiNHC</sup> - sterically adaptable benzyl-linked dinuclear N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2026","55","16","6282","6293","10.1039/d6dt00096g","","x-ray","1.54184","CuKα","","0.0343","0.034","","","0.0886","0.0889","","","","","","1.0324","","","","has coordinates","305803","2026-05-05","09:12:29",""
"7720338","10.3576","0.0003","16.0927","0.0005","17.575","0.0003","87.795","0.002","86.75","0.002","72.407","0.002","2787.22","0.13","99.99","0.1","99.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C60 H58 Au2 Br2 N4 -","- C60 H58 Au2 Br2 N4 -","- C120 H116 Au4 Br4 N8 -","2","1","","Halikowska-Tarasek, Katarzyna; Dziuk, Błażej; Szostak, Roman; Szostak, Michal; Bisz, Elwira","IPr*<sup>BndiNHC</sup> - sterically adaptable benzyl-linked dinuclear N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2026","55","16","6282","6293","10.1039/d6dt00096g","","x-ray","1.54184","CuKα","","0.0632","0.0546","","","0.1575","0.1635","","","","","","1.138","","","","has coordinates","305803","2026-05-05","09:12:29",""
"7720339","10.0962","0.0002","21.1239","0.0003","34.7463","0.0005","90","","91.017","0.001","90","","7409.2","0.2","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C87 H80 Au2 Br2 N4 O2 -","- C87 H80 Au2 Br2 N4 O2 -","- C348 H320 Au8 Br8 N16 O8 -","4","1","","Halikowska-Tarasek, Katarzyna; Dziuk, Błażej; Szostak, Roman; Szostak, Michal; Bisz, Elwira","IPr*<sup>BndiNHC</sup> - sterically adaptable benzyl-linked dinuclear N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2026","55","16","6282","6293","10.1039/d6dt00096g","","x-ray","1.54184","CuKα","","0.0563","0.0459","","","0.1148","0.1196","","","","","","1.036","","","","has coordinates","305803","2026-05-05","09:12:29",""
"7720340","20.1387","0.0001","30.3181","0.0002","30.9567","0.0001","90","","90","","90","","18901.1","0.17","100","0.1","100","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C84 H74 Au2 Br2 N4 O2 -","- C84 H74 Au2 Br2 N4 O2 -","- C672 H592 Au16 Br16 N32 O16 -","8","1","","Halikowska-Tarasek, Katarzyna; Dziuk, Błażej; Szostak, Roman; Szostak, Michal; Bisz, Elwira","IPr*<sup>BndiNHC</sup> - sterically adaptable benzyl-linked dinuclear N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2026","55","16","6282","6293","10.1039/d6dt00096g","","x-ray","1.54184","CuKα","","0.0542","0.0517","","","0.1316","0.1331","","","","","","1.051","","","","has coordinates,has disorder","305803","2026-05-05","09:12:29",""
"7720341","10.9652","0.0018","10.781","0.002","25.738","0.011","90","","90","","90","","3042.6","1.5","150","","150","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H28 B Cl N2 -","- C12 H28 B Cl N2 -","- C96 H224 B8 Cl8 N16 -","8","1","","Shulyak, Aleksandra T.; Lukoshkova, Anna A.; Selivanov, Nikita A.; Kubasov, Alexey S.; Skabitskii, Ivan V.; Zhdanov, Andrey P.; Avdeeva, Varvara V.; Bykov, Aleksandr Yu; Zhizhin, Konstantin Yu; Kuznetsov, Nikolay T.","Unlocking the chemistry of the octahydrotriborate anion: robust synthesis, structural elucidation, and unprecedented protonation stability of diamine-substituted derivatives.","Dalton transactions (Cambridge, England : 2003)","2026","55","10","4306","4318","10.1039/d5dt02948a","","","0.71073","MoKα","","0.1188","0.052","","","0.116","0.159","","","","","","1.01","","","","has coordinates","305354","2026-04-05","12:01:10",""
"7720342","7.6448","0.0006","18.0943","0.0014","19.011","0.002","90","","90","","90","","2629.7","0.4","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H19 B3 N2 -","- C12 H19 B3 N2 -","- C96 H152 B24 N16 -","8","1","","Shulyak, Aleksandra T.; Lukoshkova, Anna A.; Selivanov, Nikita A.; Kubasov, Alexey S.; Skabitskii, Ivan V.; Zhdanov, Andrey P.; Avdeeva, Varvara V.; Bykov, Aleksandr Yu; Zhizhin, Konstantin Yu; Kuznetsov, Nikolay T.","Unlocking the chemistry of the octahydrotriborate anion: robust synthesis, structural elucidation, and unprecedented protonation stability of diamine-substituted derivatives.","Dalton transactions (Cambridge, England : 2003)","2026","55","10","4306","4318","10.1039/d5dt02948a","","","0.71073","MoKα","","0.096","0.0645","","","0.1392","0.1585","","","","","","1.03","","","","has coordinates","305354","2026-04-05","12:01:10",""
"7720343","9.3751","0.0007","9.4843","0.0007","21.4916","0.0015","90","","90","","90","","1911","0.2","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6 H20 B3 N -","- C6 H20 B3 N -","- C48 H160 B24 N8 -","8","1","","Shulyak, Aleksandra T.; Lukoshkova, Anna A.; Selivanov, Nikita A.; Kubasov, Alexey S.; Skabitskii, Ivan V.; Zhdanov, Andrey P.; Avdeeva, Varvara V.; Bykov, Aleksandr Yu; Zhizhin, Konstantin Yu; Kuznetsov, Nikolay T.","Unlocking the chemistry of the octahydrotriborate anion: robust synthesis, structural elucidation, and unprecedented protonation stability of diamine-substituted derivatives.","Dalton transactions (Cambridge, England : 2003)","2026","55","10","4306","4318","10.1039/d5dt02948a","","","0.71073","MoKα","","0.0719","0.0525","","","0.12","0.1317","","","","","","1.041","","","","has coordinates","305354","2026-04-05","12:01:10",""
"7720344","7.411","0.0004","8.4211","0.0005","10.3215","0.0007","101.507","0.003","94.477","0.003","97.303","0.002","622.53","0.07","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C5 H22 B3 I N2 -","- C5 H22 B3 I N2 -","- C10 H44 B6 I2 N4 -","2","1","","Shulyak, Aleksandra T.; Lukoshkova, Anna A.; Selivanov, Nikita A.; Kubasov, Alexey S.; Skabitskii, Ivan V.; Zhdanov, Andrey P.; Avdeeva, Varvara V.; Bykov, Aleksandr Yu; Zhizhin, Konstantin Yu; Kuznetsov, Nikolay T.","Unlocking the chemistry of the octahydrotriborate anion: robust synthesis, structural elucidation, and unprecedented protonation stability of diamine-substituted derivatives.","Dalton transactions (Cambridge, England : 2003)","2026","55","10","4306","4318","10.1039/d5dt02948a","","","0.71073","MoKα","","0.0316","0.0286","","","0.0687","0.0705","","","","","","1.033","","","","has coordinates","305354","2026-04-05","12:01:10",""
"7720345","10.764","0.0003","7.0083","0.0002","16.6109","0.0005","90","","97.751","0.001","90","","1241.63","0.06","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H24 B3 Cl N2 -","- C6 H24 B3 Cl N2 -","- C24 H96 B12 Cl4 N8 -","4","1","","Shulyak, Aleksandra T.; Lukoshkova, Anna A.; Selivanov, Nikita A.; Kubasov, Alexey S.; Skabitskii, Ivan V.; Zhdanov, Andrey P.; Avdeeva, Varvara V.; Bykov, Aleksandr Yu; Zhizhin, Konstantin Yu; Kuznetsov, Nikolay T.","Unlocking the chemistry of the octahydrotriborate anion: robust synthesis, structural elucidation, and unprecedented protonation stability of diamine-substituted derivatives.","Dalton transactions (Cambridge, England : 2003)","2026","55","10","4306","4318","10.1039/d5dt02948a","","","0.71073","MoKα","","0.0241","0.0223","","","0.0617","0.0626","","","","","","1.03","","","","has coordinates","305354","2026-04-05","12:01:10",""
"7720346","8.3527","0.0003","5.6597","0.0002","16.8327","0.0006","90","","94.605","0.004","90","","793.18","0.05","293","2","293","2","","","","","","","analogue of fumarolic shchurovskyite","5","P 1 2/c 1","-P 2yc","13","potassium calcium copper oxyphosphate","","","- Ca0.87 Cu6.13 K2 O18 P4 -","- Ca0.876 Cu6.124 K2 O18 P4 -","- Ca1.752 Cu12.248 K4 O36 P8 -","2","0.5","","Kiriukhina, G. V.; Yakubovich, O. V.; Shvanskaya, L. V.; Vasiliev, A. N.","Crystal structure and physical properties of shchurovskyite-related K<sub>2</sub>CaCu<sub>6</sub>O<sub>2</sub>(PO<sub>4</sub>)<sub>4</sub>.","Dalton transactions (Cambridge, England : 2003)","2026","55","12","4951","4960","10.1039/d6dt00109b","","","0.71073","MoKα","","0.0542","0.0381","","","0.0624","0.0664","","","","","","1.213","","","","has coordinates","305389","2026-04-05","12:11:45",""
"7720347","10.5623","0.0008","17.4548","0.0012","7.0682","0.0004","90","","99.628","0.007","90","","1284.76","0.15","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 N4 O -","- C15 H10 N4 O -","- C60 H40 N16 O4 -","4","1","","Škoch, Karel; Buziková, Michaela; Jakubczyk, Michał; Pattanamcheril Anilkumar, Krishna; Demel, Jan; Litecká, Miroslava","Molybdenum(VI) borano-imido complexes and their application as Lewis acid catalysts in homocoupling of diazo compounds.","Dalton transactions (Cambridge, England : 2003)","2026","55","12","4997","5003","10.1039/d6dt00469e","","x-ray","1.54184","CuKα","","0.0719","0.0513","","","0.1311","0.1472","","","","","","0.998","","","","has coordinates","306442","2026-06-05","19:11:26",""
"7720348","9.709","0.0005","9.9534","0.0007","13.4743","0.0009","81.729","0.005","88.599","0.005","69.331","0.006","1205.15","0.14","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C45 H52 Cl8 Mo2 N2 O2 -","- C44 H50 Cl6 Mo2 N2 O2 -","- C44 H50 Cl6 Mo2 N2 O2 -","1","0.5","","Škoch, Karel; Buziková, Michaela; Jakubczyk, Michał; Pattanamcheril Anilkumar, Krishna; Demel, Jan; Litecká, Miroslava","Molybdenum(VI) borano-imido complexes and their application as Lewis acid catalysts in homocoupling of diazo compounds.","Dalton transactions (Cambridge, England : 2003)","2026","55","12","4997","5003","10.1039/d6dt00469e","","x-ray","1.54184","CuKα","","0.0352","0.0333","","","0.0848","0.0863","","","","","","1.026","","","","has coordinates,has disorder","306442","2026-06-05","19:11:26",""
"7720349","16.0842","0.0002","5.4731","0.0001","23.5249","0.0003","90","","90","","90","","2070.91","0.05","99.99","0.1","99.99","0.1","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C30 H20 N2 -","- C30 H20 N2 -","- C120 H80 N8 -","4","1","","Škoch, Karel; Buziková, Michaela; Jakubczyk, Michał; Pattanamcheril Anilkumar, Krishna; Demel, Jan; Litecká, Miroslava","Molybdenum(VI) borano-imido complexes and their application as Lewis acid catalysts in homocoupling of diazo compounds.","Dalton transactions (Cambridge, England : 2003)","2026","55","12","4997","5003","10.1039/d6dt00469e","","x-ray","1.54184","CuKα","","0.0436","0.0416","","","0.1095","0.1119","","","","","","1.04","","","","has coordinates","306442","2026-06-05","19:11:26",""
"7720350","9.3007","0.0003","14.2372","0.0003","10.7745","0.0003","90","","94.456","0.002","90","","1422.4","0.07","99.99","0.1","99.99","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 N3 -","- C18 H17 N3 -","- C72 H68 N12 -","4","1","","Škoch, Karel; Buziková, Michaela; Jakubczyk, Michał; Pattanamcheril Anilkumar, Krishna; Demel, Jan; Litecká, Miroslava","Molybdenum(VI) borano-imido complexes and their application as Lewis acid catalysts in homocoupling of diazo compounds.","Dalton transactions (Cambridge, England : 2003)","2026","55","12","4997","5003","10.1039/d6dt00469e","","x-ray","1.54184","CuKα","","0.06","0.0563","","","0.1492","0.1538","","","","","","1.039","","","","has coordinates","306442","2026-06-05","19:11:26",""
"7720351","7.9972","0.0002","17.3076","0.0004","8.28","0.0002","90","","106.898","0.003","90","","1096.57","0.05","99.98","0.1","99.98","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 N2 -","- C15 H10 N2 -","- C60 H40 N8 -","4","1","","Škoch, Karel; Buziková, Michaela; Jakubczyk, Michał; Pattanamcheril Anilkumar, Krishna; Demel, Jan; Litecká, Miroslava","Molybdenum(VI) borano-imido complexes and their application as Lewis acid catalysts in homocoupling of diazo compounds.","Dalton transactions (Cambridge, England : 2003)","2026","55","12","4997","5003","10.1039/d6dt00469e","","x-ray","1.54184","CuKα","","0.0455","0.0416","","","0.1113","0.1148","","","","","","1.052","","","","has coordinates","306442","2026-06-05","19:11:26",""
"7720352","7.2982","0.0002","11.5691","0.0003","10.7137","0.0003","90","","105.593","0.003","90","","871.3","0.04","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 O6 -","- C20 H20 O6 -","- C40 H40 O12 -","2","0.5","","Škoch, Karel; Buziková, Michaela; Jakubczyk, Michał; Pattanamcheril Anilkumar, Krishna; Demel, Jan; Litecká, Miroslava","Molybdenum(VI) borano-imido complexes and their application as Lewis acid catalysts in homocoupling of diazo compounds.","Dalton transactions (Cambridge, England : 2003)","2026","55","12","4997","5003","10.1039/d6dt00469e","","x-ray","1.54184","CuKα","","0.0611","0.0582","","","0.1417","0.1452","","","","","","1.131","","","","has coordinates","306442","2026-06-05","19:11:26",""
"7720353","13.9751","0.0004","10.6445","0.0002","19.6815","0.0005","90","","92.883","0.002","90","","2924.07","0.12","99.99","0.1","99.99","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H27 B Cl5 Mo N4 -","- C27 H27 B Cl5 Mo N4 -","- C108 H108 B4 Cl20 Mo4 N16 -","4","1","","Škoch, Karel; Buziková, Michaela; Jakubczyk, Michał; Pattanamcheril Anilkumar, Krishna; Demel, Jan; Litecká, Miroslava","Molybdenum(VI) borano-imido complexes and their application as Lewis acid catalysts in homocoupling of diazo compounds.","Dalton transactions (Cambridge, England : 2003)","2026","55","12","4997","5003","10.1039/d6dt00469e","","x-ray","1.54184","CuKα","","0.0455","0.0403","","","0.1049","0.1083","","","","","","1.049","","","","has coordinates,has disorder","306442","2026-06-05","19:11:26",""
"7720354","9.4421","0.0005","10.6384","0.0009","12.3347","0.0003","75.817","0.006","89.591","0.004","76.111","0.005","1164.36","0.13","100","0.12","100","0.12","","","","","","","","7","P -1","-P 1","2","","","","- C20 H25 B Cl4 Mo N2 O -","- C20 H25 B Cl4 Mo N2 O -","- C40 H50 B2 Cl8 Mo2 N4 O2 -","2","1","","Škoch, Karel; Buziková, Michaela; Jakubczyk, Michał; Pattanamcheril Anilkumar, Krishna; Demel, Jan; Litecká, Miroslava","Molybdenum(VI) borano-imido complexes and their application as Lewis acid catalysts in homocoupling of diazo compounds.","Dalton transactions (Cambridge, England : 2003)","2026","55","12","4997","5003","10.1039/d6dt00469e","","x-ray","1.54184","CuKα","","0.1351","0.0922","","","0.2416","0.2995","","","","","","1.153","","","","has coordinates,has disorder","306442","2026-06-05","19:11:26",""
"7720355","9.72725","0.0001","10.29523","0.00009","18.78662","0.0001","91.7045","0.0005","97.5172","0.0007","118.007","0.001","1637.81","0.03","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C34 H32 B Cl3 Mo N2 P -","- C34 H32 B Cl3 Mo N2 P -","- C68 H64 B2 Cl6 Mo2 N4 P2 -","2","1","","Škoch, Karel; Buziková, Michaela; Jakubczyk, Michał; Pattanamcheril Anilkumar, Krishna; Demel, Jan; Litecká, Miroslava","Molybdenum(VI) borano-imido complexes and their application as Lewis acid catalysts in homocoupling of diazo compounds.","Dalton transactions (Cambridge, England : 2003)","2026","55","12","4997","5003","10.1039/d6dt00469e","","x-ray","1.54184","CuKα","","0.0276","0.027","","","0.0734","0.0738","","","","","","1.027","","","","has coordinates","306442","2026-06-05","19:11:26",""
"7720356","7.4374","0.0003","14.1906","0.0004","11.8015","0.0003","90","","90","","90","","1245.54","0.07","100","0.11","100","0.11","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C15 H14 N2 -","- C15 H14 N2 -","- C60 H56 N8 -","4","1","","Škoch, Karel; Buziková, Michaela; Jakubczyk, Michał; Pattanamcheril Anilkumar, Krishna; Demel, Jan; Litecká, Miroslava","Molybdenum(VI) borano-imido complexes and their application as Lewis acid catalysts in homocoupling of diazo compounds.","Dalton transactions (Cambridge, England : 2003)","2026","55","12","4997","5003","10.1039/d6dt00469e","","x-ray","0.71073","MoKα","","0.0652","0.056","","","0.1571","0.165","","","","","","0.993","","","","has coordinates","306442","2026-06-05","19:11:26",""
"7720357","10.79123","0.00008","16.54087","0.00014","19.00846","0.00016","90","","90","","90","","3392.94","0.05","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C45 H30 N4 O3 -","- C45 H30 N4 O3 -","- C180 H120 N16 O12 -","4","1","","Škoch, Karel; Buziková, Michaela; Jakubczyk, Michał; Pattanamcheril Anilkumar, Krishna; Demel, Jan; Litecká, Miroslava","Molybdenum(VI) borano-imido complexes and their application as Lewis acid catalysts in homocoupling of diazo compounds.","Dalton transactions (Cambridge, England : 2003)","2026","55","12","4997","5003","10.1039/d6dt00469e","","x-ray","1.54184","CuKα","","0.0334","0.0307","","","0.0834","0.0871","","","","","","1.077","","","","has coordinates","306442","2026-06-05","19:11:26",""
"7720358","20.5753","0.0014","12.4895","0.0008","22.0707","0.0017","90","","111.471","0.003","90","","5278","0.6","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C45 H50 Cl13 N5 Os -","- C45 H50 Cl13 N5 Os -","- C180 H200 Cl52 N20 Os4 -","4","1","","Parche, Joshua; Sievers, Robin; Streit, Tim-Niclas; Malischewski, Moritz","Accessing osmium(VI) nitrido complexes with N-heterocyclic carbene ligands.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5161","5167","10.1039/d6dt00234j","","x-ray","0.71073","MoKα","","0.0659","0.0453","","","0.104","0.1146","","","","","","1.028","","","","has coordinates","305375","2026-04-05","12:09:02",""
"7720359","25.7601","0.0009","11.7745","0.0005","20.9785","0.0009","90","","108.121","0.001","90","","6047.4","0.4","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C54 H68 Cl4 N14 O3 Os -","- C54 H68 Cl4 N14 O3 Os -","- C216 H272 Cl16 N56 O12 Os4 -","4","0.5","","Parche, Joshua; Sievers, Robin; Streit, Tim-Niclas; Malischewski, Moritz","Accessing osmium(VI) nitrido complexes with N-heterocyclic carbene ligands.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5161","5167","10.1039/d6dt00234j","","","0.71073","MoKα","","0.0719","0.0576","","","0.1365","0.1478","","","","","","1.103","","","","has coordinates","305375","2026-04-05","12:09:02",""
"7720360","19.8661","0.001","14.6551","0.0007","14.3853","0.0006","90","","90","","90","","4188.1","0.3","100","","100","","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C42 H44 Cl6 F N5 Os -","- C42 H44 Cl6 F N5 Os -","- C168 H176 Cl24 F4 N20 Os4 -","4","0.5","","Parche, Joshua; Sievers, Robin; Streit, Tim-Niclas; Malischewski, Moritz","Accessing osmium(VI) nitrido complexes with N-heterocyclic carbene ligands.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5161","5167","10.1039/d6dt00234j","","","0.71073","MoKα","","0.0721","0.0432","","","0.0924","0.1172","","","","","","1.115","","","","has coordinates","305375","2026-04-05","12:09:02",""
"7720361","20.03","0.004","14.421","0.003","16.435","0.004","90","","93.164","0.008","90","","4740.1","1.8","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C47 H56 Cl4 F3 N5 Os -","- C47 H56 Cl4 F3 N5 Os -","- C188 H224 Cl16 F12 N20 Os4 -","4","1","","Parche, Joshua; Sievers, Robin; Streit, Tim-Niclas; Malischewski, Moritz","Accessing osmium(VI) nitrido complexes with N-heterocyclic carbene ligands.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5161","5167","10.1039/d6dt00234j","","","0.71073","MoKα","","0.0575","0.0406","","","0.0964","0.1152","","","","","","1.131","","","","has coordinates","305375","2026-04-05","12:09:02",""
"7720362","9.0171","0.0003","14.1829","0.0003","15.7288","0.0003","104.693","0.0018","92.663","0.002","106.224","0.002","1853.31","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H40 Br12 N4 Sb2 -","- C18 H40 Br12 N4 Sb2 -","- C36 H80 Br24 N8 Sb4 -","2","1","","Shestimerova, Tatiana A.; Klykova, Angelina P.; Medved'ko, Alexey V.; Khrustalev, Victor N.; Bykov, Mikhail A.; Pankratov, Denis A.; Presniakov, Igor A.; Kuznetsov, Alexey N.; Vatsadze, Sergey Z.; Shevelkov, Andrei V.","Tailoring in-gap states for optimizing the band gap in mixed-valent bromometallates, towards lead-free photovoltaics.","Dalton transactions (Cambridge, England : 2003)","2026","55","12","5013","5026","10.1039/d5dt02874d","","","1.54184","CuKα","","0.0521","0.0501","","","0.1304","0.133","","","","","","1.01","","","","has coordinates","305392","2026-04-05","12:12:12",""
"7720363","15.3442","0.0002","9.77582","0.00017","13.11027","0.00018","90","","90.5767","0.0013","90","","1966.47","0.05","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H44 Bi Br12 N4 O2 Sb -","- C18 H44 Bi Br12 N4 O2 Sb -","- C36 H88 Bi2 Br24 N8 O4 Sb2 -","2","0.5","","Shestimerova, Tatiana A.; Klykova, Angelina P.; Medved'ko, Alexey V.; Khrustalev, Victor N.; Bykov, Mikhail A.; Pankratov, Denis A.; Presniakov, Igor A.; Kuznetsov, Alexey N.; Vatsadze, Sergey Z.; Shevelkov, Andrei V.","Tailoring in-gap states for optimizing the band gap in mixed-valent bromometallates, towards lead-free photovoltaics.","Dalton transactions (Cambridge, England : 2003)","2026","55","12","5013","5026","10.1039/d5dt02874d","","","1.54184","CuKα","","0.0724","0.0717","","","0.1811","0.1818","","","","","","1.044","","","","has coordinates","305392","2026-04-05","12:12:12",""
"7720364","8.5678","0.00019","15.8051","0.0003","13.6322","0.0003","90","","96.1095","0.0019","90","","1835.52","0.07","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H20 Br6 N2 -","- C9 H20 Br6 N2 -","- C36 H80 Br24 N8 -","4","1","","Shestimerova, Tatiana A.; Klykova, Angelina P.; Medved'ko, Alexey V.; Khrustalev, Victor N.; Bykov, Mikhail A.; Pankratov, Denis A.; Presniakov, Igor A.; Kuznetsov, Alexey N.; Vatsadze, Sergey Z.; Shevelkov, Andrei V.","Tailoring in-gap states for optimizing the band gap in mixed-valent bromometallates, towards lead-free photovoltaics.","Dalton transactions (Cambridge, England : 2003)","2026","55","12","5013","5026","10.1039/d5dt02874d","","","1.54184","CuKα","","0.0588","0.0573","","","0.1598","0.1608","","","","","","1.129","","","","has coordinates,has disorder","305392","2026-04-05","12:12:12",""
"7720365","13.373","0.003","13.859","0.004","13.464","0.005","90","","119.197","0.009","90","","2178.3","1.2","296.15","","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 Cl2 N4 O5 Zn -","- C19 H20 Cl2 N4 O5 Zn -","- C76 H80 Cl8 N16 O20 Zn4 -","4","1","","Kim, Han Sol; Lee, Soo Suk","Single-site hydrogen-bond modulation enhances catalytic ester hydrolysis in a Zn(II)-TPA scaffold.","Dalton transactions (Cambridge, England : 2003)","2026","55","12","5004","5012","10.1039/d5dt03058g","","","0.71073","MoKα","","0.0885","0.0588","","","0.1539","0.1785","","","","","","1.0774","","","","has coordinates,has disorder","305400","2026-04-05","12:14:55",""
"7720366","11.83154","0.00013","10.50963","0.00008","7.48872","0.00006","90","","90","","90","","931.186","0.015","150","2","150","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C12 H7 Br -","- C12 H7 Br -","- C48 H28 Br4 -","4","1","","Mittag, Simon M.; Klopf, Jonas; Virovets, Alexander V.; Peresypkina, Eugenia; Lerner, Hans-Wolfram; Helten, Holger; Wagner, Matthias","Fraternal twins: B<sub>2</sub>O<sub>2</sub>- or B<sub>2</sub>N<sub>2</sub>-doped polycyclic π systems and their formation mechanism <i>via</i> regiodivergent Au- <i>versus</i> amine-catalyzed cyclizations.","Dalton transactions (Cambridge, England : 2003)","2026","55","14","5553","5564","10.1039/d6dt00412a","","x-ray","0.5","synchrotron","","0.0348","0.0337","","","0.0898","0.0908","","","","","","1.05","","","","has coordinates,has disorder","305817","2026-05-05","09:15:07",""
"7720367","15.9307","0.0015","9.96","0.0007","25.546","0.002","90","","90","","90","","4053.4","0.6","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H25 B O -","- C23 H25 B O -","- C184 H200 B8 O8 -","8","1","","Mittag, Simon M.; Klopf, Jonas; Virovets, Alexander V.; Peresypkina, Eugenia; Lerner, Hans-Wolfram; Helten, Holger; Wagner, Matthias","Fraternal twins: B<sub>2</sub>O<sub>2</sub>- or B<sub>2</sub>N<sub>2</sub>-doped polycyclic π systems and their formation mechanism <i>via</i> regiodivergent Au- <i>versus</i> amine-catalyzed cyclizations.","Dalton transactions (Cambridge, England : 2003)","2026","55","14","5553","5564","10.1039/d6dt00412a","","","0.71073","MoKα","","0.1197","0.0549","","","0.1205","0.1476","","","","","","0.986","","","","has coordinates,has disorder","305817","2026-05-05","09:15:07",""
"7720368","8.5765","0.001","11.4078","0.0014","17.81","0.002","90.064","0.01","95.466","0.011","110.718","0.011","1621.3","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H42 B2 N2 O -","- C38 H42 B2 N2 O -","- C76 H84 B4 N4 O2 -","2","1","","Mittag, Simon M.; Klopf, Jonas; Virovets, Alexander V.; Peresypkina, Eugenia; Lerner, Hans-Wolfram; Helten, Holger; Wagner, Matthias","Fraternal twins: B<sub>2</sub>O<sub>2</sub>- or B<sub>2</sub>N<sub>2</sub>-doped polycyclic π systems and their formation mechanism <i>via</i> regiodivergent Au- <i>versus</i> amine-catalyzed cyclizations.","Dalton transactions (Cambridge, England : 2003)","2026","55","14","5553","5564","10.1039/d6dt00412a","","","0.71073","MoKα","","0.1222","0.0477","","","0.0947","0.1047","","","","","","0.684","","","","has coordinates","305817","2026-05-05","09:15:07",""
"7720369","17.2291","0.0005","9.074","0.0002","18.4299","0.0006","90","","105.71","0.003","90","","2773.64","0.14","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H35 B N2 O -","- C33 H35 B N2 O -","- C132 H140 B4 N8 O4 -","4","1","","Mittag, Simon M.; Klopf, Jonas; Virovets, Alexander V.; Peresypkina, Eugenia; Lerner, Hans-Wolfram; Helten, Holger; Wagner, Matthias","Fraternal twins: B<sub>2</sub>O<sub>2</sub>- or B<sub>2</sub>N<sub>2</sub>-doped polycyclic π systems and their formation mechanism <i>via</i> regiodivergent Au- <i>versus</i> amine-catalyzed cyclizations.","Dalton transactions (Cambridge, England : 2003)","2026","55","14","5553","5564","10.1039/d6dt00412a","","","0.71073","MoKα","","0.0584","0.0486","","","0.1238","0.1311","","","","","","1.041","","","","has coordinates","305817","2026-05-05","09:15:07",""
"7720370","11.5651","0.001","19.0552","0.001","3.9057","0.0003","90","","90","","90","","860.72","0.11","173","2","173","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C24 H12 Br2 -","- C24 H12 Br2 -","- C48 H24 Br4 -","2","0.5","","Mittag, Simon M.; Klopf, Jonas; Virovets, Alexander V.; Peresypkina, Eugenia; Lerner, Hans-Wolfram; Helten, Holger; Wagner, Matthias","Fraternal twins: B<sub>2</sub>O<sub>2</sub>- or B<sub>2</sub>N<sub>2</sub>-doped polycyclic π systems and their formation mechanism <i>via</i> regiodivergent Au- <i>versus</i> amine-catalyzed cyclizations.","Dalton transactions (Cambridge, England : 2003)","2026","55","14","5553","5564","10.1039/d6dt00412a","","","0.71073","MoKα","","0.0419","0.0354","","","0.0753","0.0791","","","","","","1.028","","","","has coordinates","305817","2026-05-05","09:15:07",""
"7720371","20.268","0.0014","26.8654","0.0013","20.3594","0.0012","90","","90","","90","","11085.9","1.1","173","2","173","2","","","","","","","","6","C c c 2","C 2 -2c","37","","","","- C57 H60 B3 Cl2 N O4 -","- C57 H60 B3 Cl2 N O4 -","- C456 H480 B24 Cl16 N8 O32 -","8","1","","Mittag, Simon M.; Klopf, Jonas; Virovets, Alexander V.; Peresypkina, Eugenia; Lerner, Hans-Wolfram; Helten, Holger; Wagner, Matthias","Fraternal twins: B<sub>2</sub>O<sub>2</sub>- or B<sub>2</sub>N<sub>2</sub>-doped polycyclic π systems and their formation mechanism <i>via</i> regiodivergent Au- <i>versus</i> amine-catalyzed cyclizations.","Dalton transactions (Cambridge, England : 2003)","2026","55","14","5553","5564","10.1039/d6dt00412a","","","0.71073","MoKα","","0.1314","0.0919","","","0.2409","0.2807","","","","","","1.016","","","","has coordinates,has disorder","305817","2026-05-05","09:15:07",""
"7720372","14.6203","0.0005","14.5372","0.0003","14.9173","0.0005","90","","111.078","0.004","90","","2958.36","0.17","105","2","105","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H36 B2 N2 -","- C36 H36 B2 N2 -","- C144 H144 B8 N8 -","4","1","","Mittag, Simon M.; Klopf, Jonas; Virovets, Alexander V.; Peresypkina, Eugenia; Lerner, Hans-Wolfram; Helten, Holger; Wagner, Matthias","Fraternal twins: B<sub>2</sub>O<sub>2</sub>- or B<sub>2</sub>N<sub>2</sub>-doped polycyclic π systems and their formation mechanism <i>via</i> regiodivergent Au- <i>versus</i> amine-catalyzed cyclizations.","Dalton transactions (Cambridge, England : 2003)","2026","55","14","5553","5564","10.1039/d6dt00412a","","x-ray","0.5594","synchrotron","","0.0921","0.0662","","","0.1544","0.1616","","","","","","1.113","","","","has coordinates,has disorder","305817","2026-05-05","09:15:07",""
"7720373","14.7681","0.0008","7.0414","0.0004","13.6897","0.0008","90","","104.615","0.006","90","","1377.5","0.14","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H32 B2 O2 -","- C34 H32 B2 O2 -","- C68 H64 B4 O4 -","2","0.5","","Mittag, Simon M.; Klopf, Jonas; Virovets, Alexander V.; Peresypkina, Eugenia; Lerner, Hans-Wolfram; Helten, Holger; Wagner, Matthias","Fraternal twins: B<sub>2</sub>O<sub>2</sub>- or B<sub>2</sub>N<sub>2</sub>-doped polycyclic π systems and their formation mechanism <i>via</i> regiodivergent Au- <i>versus</i> amine-catalyzed cyclizations.","Dalton transactions (Cambridge, England : 2003)","2026","55","14","5553","5564","10.1039/d6dt00412a","","","0.71073","MoKα","","0.0596","0.0487","","","0.1315","0.1404","","","","","","1.048","","","","has coordinates","305817","2026-05-05","09:15:07",""
"7720374","11.4659","0.0004","14.2304","0.0004","3.93254","0.00013","90","","90","","90","","641.65","0.04","173","2","173","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C16 H8 Br2 -","- C16 H8 Br2 -","- C32 H16 Br4 -","2","0.5","","Mittag, Simon M.; Klopf, Jonas; Virovets, Alexander V.; Peresypkina, Eugenia; Lerner, Hans-Wolfram; Helten, Holger; Wagner, Matthias","Fraternal twins: B<sub>2</sub>O<sub>2</sub>- or B<sub>2</sub>N<sub>2</sub>-doped polycyclic π systems and their formation mechanism <i>via</i> regiodivergent Au- <i>versus</i> amine-catalyzed cyclizations.","Dalton transactions (Cambridge, England : 2003)","2026","55","14","5553","5564","10.1039/d6dt00412a","","","0.71073","MoKα","","0.0228","0.0205","","","0.0501","0.0518","","","","","","1.059","","","","has coordinates","305817","2026-05-05","09:15:07",""
"7720375","7.14506","0.00007","13.13437","0.00014","41.3682","0.0005","90","","90","","90","","3882.23","0.07","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C25 H21 B O -","- C25 H21 B O -","- C200 H168 B8 O8 -","8","1","","Mittag, Simon M.; Klopf, Jonas; Virovets, Alexander V.; Peresypkina, Eugenia; Lerner, Hans-Wolfram; Helten, Holger; Wagner, Matthias","Fraternal twins: B<sub>2</sub>O<sub>2</sub>- or B<sub>2</sub>N<sub>2</sub>-doped polycyclic π systems and their formation mechanism <i>via</i> regiodivergent Au- <i>versus</i> amine-catalyzed cyclizations.","Dalton transactions (Cambridge, England : 2003)","2026","55","14","5553","5564","10.1039/d6dt00412a","","x-ray","0.5","synchrotron","","0.0566","0.0462","","","0.107","0.1119","","","","","","1.076","","","","has coordinates","305817","2026-05-05","09:15:07",""
"7720376","22.4572","0.0018","11.5161","0.0013","15.2101","0.0012","90","","90.167","0.013","90","","3933.6","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H25 B O -","- C23 H25 B O -","- C184 H200 B8 O8 -","8","2","","Mittag, Simon M.; Klopf, Jonas; Virovets, Alexander V.; Peresypkina, Eugenia; Lerner, Hans-Wolfram; Helten, Holger; Wagner, Matthias","Fraternal twins: B<sub>2</sub>O<sub>2</sub>- or B<sub>2</sub>N<sub>2</sub>-doped polycyclic π systems and their formation mechanism <i>via</i> regiodivergent Au- <i>versus</i> amine-catalyzed cyclizations.","Dalton transactions (Cambridge, England : 2003)","2026","55","14","5553","5564","10.1039/d6dt00412a","","x-ray","0.56","synchrotron","","0.0655","0.0538","","","0.1462","0.1513","","","","","","1.075","","","","has coordinates,has disorder","305817","2026-05-05","09:15:07",""
"7720377","8.52039","0.00006","12.25707","0.00011","21.58519","0.00016","93.5875","0.0007","98.3175","0.0006","109.136","0.0007","2092.64","0.03","100","0.2","100","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H45 B2 N3 O2 -","- C48 H45 B2 N3 O2 -","- C96 H90 B4 N6 O4 -","2","1","","Mittag, Simon M.; Klopf, Jonas; Virovets, Alexander V.; Peresypkina, Eugenia; Lerner, Hans-Wolfram; Helten, Holger; Wagner, Matthias","Fraternal twins: B<sub>2</sub>O<sub>2</sub>- or B<sub>2</sub>N<sub>2</sub>-doped polycyclic π systems and their formation mechanism <i>via</i> regiodivergent Au- <i>versus</i> amine-catalyzed cyclizations.","Dalton transactions (Cambridge, England : 2003)","2026","55","14","5553","5564","10.1039/d6dt00412a","","x-ray","0.56","synchrotron","","0.0776","0.0617","","","0.1796","0.1914","","","","","","1.048","","","","has coordinates,has disorder","305817","2026-05-05","09:15:07",""
"7720378","8.6048","0.0003","15.4358","0.0006","16.1661","0.0005","61.684","0.004","82.883","0.003","84.374","0.003","1873.83","0.13","104","2","104","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H52 B2 N4 -","- C42 H52 B2 N4 -","- C84 H104 B4 N8 -","2","1","","Mittag, Simon M.; Klopf, Jonas; Virovets, Alexander V.; Peresypkina, Eugenia; Lerner, Hans-Wolfram; Helten, Holger; Wagner, Matthias","Fraternal twins: B<sub>2</sub>O<sub>2</sub>- or B<sub>2</sub>N<sub>2</sub>-doped polycyclic π systems and their formation mechanism <i>via</i> regiodivergent Au- <i>versus</i> amine-catalyzed cyclizations.","Dalton transactions (Cambridge, England : 2003)","2026","55","14","5553","5564","10.1039/d6dt00412a","","x-ray","0.56","synchrotron","","0.1375","0.1236","","","0.3844","0.4031","","","","","","1.781","","","","has coordinates","305817","2026-05-05","09:15:07",""
"7720379","34.3669","0.0006","34.3669","0.0006","7.3231","0.0003","90","","90","","120","","7490.4","0.4","110","2","110","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C42 H36 B2 O2 -","- C42 H36 B2 O2 -","- C378 H324 B18 O18 -","9","0.5","","Mittag, Simon M.; Klopf, Jonas; Virovets, Alexander V.; Peresypkina, Eugenia; Lerner, Hans-Wolfram; Helten, Holger; Wagner, Matthias","Fraternal twins: B<sub>2</sub>O<sub>2</sub>- or B<sub>2</sub>N<sub>2</sub>-doped polycyclic π systems and their formation mechanism <i>via</i> regiodivergent Au- <i>versus</i> amine-catalyzed cyclizations.","Dalton transactions (Cambridge, England : 2003)","2026","55","14","5553","5564","10.1039/d6dt00412a","","x-ray","0.5","synchrotron","","0.0697","0.0538","","","0.143","0.1538","","","","","","1.058","","","","has coordinates","305817","2026-05-05","09:15:07",""
"7720380","15.1174","0.0014","7.0443","0.0005","13.3505","0.0015","90","","101.122","0.01","90","","1395","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H32 B2 O2 -","- C34 H32 B2 O2 -","- C68 H64 B4 O4 -","2","0.5","","Mittag, Simon M.; Klopf, Jonas; Virovets, Alexander V.; Peresypkina, Eugenia; Lerner, Hans-Wolfram; Helten, Holger; Wagner, Matthias","Fraternal twins: B<sub>2</sub>O<sub>2</sub>- or B<sub>2</sub>N<sub>2</sub>-doped polycyclic π systems and their formation mechanism <i>via</i> regiodivergent Au- <i>versus</i> amine-catalyzed cyclizations.","Dalton transactions (Cambridge, England : 2003)","2026","55","14","5553","5564","10.1039/d6dt00412a","","","0.71073","MoKα","","0.0966","0.077","","","0.1743","0.184","","","","","","1.153","","","","has coordinates,has disorder","305817","2026-05-05","09:15:07",""
"7720381","12.2058","0.0007","12.3636","0.0008","13.8361","0.0008","100.277","0.005","108.689","0.005","95.334","0.005","1920.7","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H52 B2 N4 -","- C42 H52 B2 N4 -","- C84 H104 B4 N8 -","2","1","","Mittag, Simon M.; Klopf, Jonas; Virovets, Alexander V.; Peresypkina, Eugenia; Lerner, Hans-Wolfram; Helten, Holger; Wagner, Matthias","Fraternal twins: B<sub>2</sub>O<sub>2</sub>- or B<sub>2</sub>N<sub>2</sub>-doped polycyclic π systems and their formation mechanism <i>via</i> regiodivergent Au- <i>versus</i> amine-catalyzed cyclizations.","Dalton transactions (Cambridge, England : 2003)","2026","55","14","5553","5564","10.1039/d6dt00412a","","","0.71073","MoKα","","0.0699","0.0582","","","0.1564","0.1679","","","","","","1.022","","","","has coordinates,has disorder","305817","2026-05-05","09:15:07",""
"7720382","7.38817","0.00008","8.93696","0.00009","14.51044","0.00014","87.2316","0.0008","87.6632","0.0008","84.2853","0.0008","951.594","0.017","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H48 B2 O6 -","- C42 H48 B2 O6 -","- C42 H48 B2 O6 -","1","0.5","","Mittag, Simon M.; Klopf, Jonas; Virovets, Alexander V.; Peresypkina, Eugenia; Lerner, Hans-Wolfram; Helten, Holger; Wagner, Matthias","Fraternal twins: B<sub>2</sub>O<sub>2</sub>- or B<sub>2</sub>N<sub>2</sub>-doped polycyclic π systems and their formation mechanism <i>via</i> regiodivergent Au- <i>versus</i> amine-catalyzed cyclizations.","Dalton transactions (Cambridge, England : 2003)","2026","55","14","5553","5564","10.1039/d6dt00412a","","x-ray","0.56","synchrotron","","0.0644","0.0514","","","0.1564","0.1626","","","","","","1.032","","","","has coordinates","305817","2026-05-05","09:15:07",""
"7720383","12.179","0.006","15.248","0.002","10.385","0.002","90","","98.67","0.05","90","","1906.5","1.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H21 B O -","- C25 H21 B O -","- C100 H84 B4 O4 -","4","1","","Mittag, Simon M.; Klopf, Jonas; Virovets, Alexander V.; Peresypkina, Eugenia; Lerner, Hans-Wolfram; Helten, Holger; Wagner, Matthias","Fraternal twins: B<sub>2</sub>O<sub>2</sub>- or B<sub>2</sub>N<sub>2</sub>-doped polycyclic π systems and their formation mechanism <i>via</i> regiodivergent Au- <i>versus</i> amine-catalyzed cyclizations.","Dalton transactions (Cambridge, England : 2003)","2026","55","14","5553","5564","10.1039/d6dt00412a","","x-ray","0.56","synchrotron","","0.0649","0.0587","","","0.2","0.2066","","","","","","1.183","","","","has coordinates","305817","2026-05-05","09:15:07",""
"7720384","8.888","0.002","7.1684","0.0013","16.592","0.004","90","","93.69","0.015","90","","1054.9","0.4","289","2","289","2","","","","","","","","6","I 1 2/m 1","-I 2y","12","","","","- C6 H32 Cl8 N4 O4 Ru -","- C6 H24 Cl8 N4 O4 Ru -","- C12 H48 Cl16 N8 O8 Ru2 -","2","0.25","","Saikia, Himangshu Pratim; Likson, Ankita; Anand, Khyati; Das, Bidyut; Tiwari, Abinash; Dey, Sandeep Kumar; Gil-Hernández, Beatriz; Mudoi, Prashurya Pritam","Deciphering cation-driven structure-property correlations in 0D hybrid ruthenium halide perovskites.","Dalton transactions (Cambridge, England : 2003)","2026","55","12","4780","4791","10.1039/d5dt02797g","","","0.71073","MoKα","","0.0391","0.0378","","","0.1091","0.111","","","","","","1.105","","","","has coordinates,has disorder","305398","2026-04-05","12:14:02",""
"7720385","7.4977","0.0013","9.2251","0.0016","9.8296","0.0017","111.591","0.005","109.533","0.005","94.3","0.005","580.39","0.18","299","2","299","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H32 Cl8 N4 O2 Ru -","- C8 H28 Cl8 N4 O2 Ru -","- C8 H28 Cl8 N4 O2 Ru -","1","0.5","","Saikia, Himangshu Pratim; Likson, Ankita; Anand, Khyati; Das, Bidyut; Tiwari, Abinash; Dey, Sandeep Kumar; Gil-Hernández, Beatriz; Mudoi, Prashurya Pritam","Deciphering cation-driven structure-property correlations in 0D hybrid ruthenium halide perovskites.","Dalton transactions (Cambridge, England : 2003)","2026","55","12","4780","4791","10.1039/d5dt02797g","","","0.71073","MoKα","","0.0205","0.0183","","","0.047","0.0488","","","","","","1.151","","","","has coordinates,has disorder","305398","2026-04-05","12:14:02",""
"7720386","8.0705","0.0019","10.021","0.003","10.374","0.003","90","","90.593","0.007","90","","838.9","0.4","300","2","300","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C4 H22 Cl7 N4 O Ru -","- C4 H20 Cl7 N4 O Ru -","- C8 H40 Cl14 N8 O2 Ru2 -","2","0.5","","Saikia, Himangshu Pratim; Likson, Ankita; Anand, Khyati; Das, Bidyut; Tiwari, Abinash; Dey, Sandeep Kumar; Gil-Hernández, Beatriz; Mudoi, Prashurya Pritam","Deciphering cation-driven structure-property correlations in 0D hybrid ruthenium halide perovskites.","Dalton transactions (Cambridge, England : 2003)","2026","55","12","4780","4791","10.1039/d5dt02797g","","","0.71073","MoKα","","0.0312","0.0271","","","0.0727","0.0777","","","","","","1.114","","","","has coordinates","305398","2026-04-05","12:14:02",""
"7720387","17.0471","0.0011","8.4619","0.0005","16.6401","0.0009","90","","116.328","0.005","90","","2151.4","0.2","100","2","100","2","","","","","","","synthetical product","6","C 1 2/c 1","-C 2yc","15","(mu2-oxo)-bis[dichloro-bis(dimethyl sulfide)-oxo-rhenium(V)]","(mu2-oxo)-bis[dichloro-bis(dimethyl sulfide)-oxo-rhenium(V)]","","- C8 H24 Cl4 O3 Re2 S4 -","- C8 H24 Cl4 O3 Re2 S4 -","- C32 H96 Cl16 O12 Re8 S16 -","4","0.5","","Doliner, Tobias A.; Hartmann, Peter E.; Oberwinkler, Gernot; Belaj, Ferdinand; Dupé, Antoine; Boese, A. Daniel; Schachner, Jörg A","A di-nuclear μ-oxido rhenium(VI) complex: from deep purple to catalytic applications.","Dalton transactions (Cambridge, England : 2003)","2026","55","11","4547","4559","10.1039/d6dt00039h","","","0.71073","MoKα","","0.0515","0.031","","","0.0802","0.0883","","","","","","1.071","","","","has coordinates","305383","2026-04-05","12:10:37",""
"7720388","12.1609","0.0014","9.9571","0.0013","18.691","0.002","90","","103.208","0.007","90","","2203.4","0.5","100","2","100","2","","","","","","","synthetical product","6","P 1 21/n 1","-P 2yn","14","[2,4-di(tert-butyl)-6-(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)pheno-lato-N,O]-dichloro-dioxo-rhenium(VII)","[2,4-di(tert-butyl)-6-(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)pheno-lato-N,O]-dichloro-dioxo-rhenium(VII)","","- C19 H28 Cl2 N O4 Re -","- C19 H28 Cl2 N O4 Re -","- C76 H112 Cl8 N4 O16 Re4 -","4","1","","Doliner, Tobias A.; Hartmann, Peter E.; Oberwinkler, Gernot; Belaj, Ferdinand; Dupé, Antoine; Boese, A. Daniel; Schachner, Jörg A","A di-nuclear μ-oxido rhenium(VI) complex: from deep purple to catalytic applications.","Dalton transactions (Cambridge, England : 2003)","2026","55","11","4547","4559","10.1039/d6dt00039h","","","0.71073","MoKα","","0.0534","0.0446","","","0.1151","0.1187","","","","","","1.011","","","","has coordinates","305383","2026-04-05","12:10:37",""
"7720389","15.05","0.0002","19.9825","0.0002","16.4972","0.0002","90","","100.322","0.001","90","","4881.02","0.1","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(mu-oxido)-bis((2,4-t-butyl-6-(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)phenolato)-dichlorido-oxido-rhenium(VI)) cyclohexane solvate","","- C44 H68 Cl4 N2 O7 Re2 -","- C44 H68 Cl4 N2 O7 Re2 -","- C176 H272 Cl16 N8 O28 Re8 -","4","1","","Doliner, Tobias A.; Hartmann, Peter E.; Oberwinkler, Gernot; Belaj, Ferdinand; Dupé, Antoine; Boese, A. Daniel; Schachner, Jörg A","A di-nuclear μ-oxido rhenium(VI) complex: from deep purple to catalytic applications.","Dalton transactions (Cambridge, England : 2003)","2026","55","11","4547","4559","10.1039/d6dt00039h","","x-ray","1.54184","CuKα","","0.0409","0.0386","","","0.1024","0.1039","","","","","","1.038","","","","has coordinates,has disorder","305383","2026-04-05","12:10:37",""
"7720390","10.0035","0.0002","11.1092","0.0002","12.0885","0.0003","67.984","0.002","83.086","0.002","89.813","0.002","1235.11","0.05","100","0.11","100","0.11","","","","","","","","7","P -1","-P 1","2","","(2,4-t-butyl-6-(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)phenolato)-dichlorido-(dimethyl sulfide)-oxido-rhenium(v)","","- C21 H34 Cl2 N O3 Re S -","- C21 H34 Cl2 N O3 Re S -","- C42 H68 Cl4 N2 O6 Re2 S2 -","2","1","","Doliner, Tobias A.; Hartmann, Peter E.; Oberwinkler, Gernot; Belaj, Ferdinand; Dupé, Antoine; Boese, A. Daniel; Schachner, Jörg A","A di-nuclear μ-oxido rhenium(VI) complex: from deep purple to catalytic applications.","Dalton transactions (Cambridge, England : 2003)","2026","55","11","4547","4559","10.1039/d6dt00039h","","x-ray","0.71073","MoKα","","0.0301","0.0257","","","0.0523","0.0531","","","","","","1.206","","","","has coordinates","305383","2026-04-05","12:10:37",""
"7720391","16.2873","0.0001","10.7879","0.0001","22.2775","0.0002","90","","91.278","0.001","90","","3913.31","0.06","99.9","0.8","99.9","0.8","","","","","","","","7","P 1 21 1","P 2yb","4","","(2,4-t-butyl-6-(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)phenolato)-dichlorido-oxido-triphenylphosphine-rhenium(V)","","- C37 H43 Cl2 N O3 P Re -","- C37 H43 Cl2 N O3 P Re -","- C148 H172 Cl8 N4 O12 P4 Re4 -","4","2","","Doliner, Tobias A.; Hartmann, Peter E.; Oberwinkler, Gernot; Belaj, Ferdinand; Dupé, Antoine; Boese, A. Daniel; Schachner, Jörg A","A di-nuclear μ-oxido rhenium(VI) complex: from deep purple to catalytic applications.","Dalton transactions (Cambridge, England : 2003)","2026","55","11","4547","4559","10.1039/d6dt00039h","","x-ray","1.54184","CuKα","","0.0506","0.0474","","","0.1232","0.1255","","","","","","1.052","","","","has coordinates,has disorder","305383","2026-04-05","12:10:37",""
"7720392","7.8683","0.0005","12.6536","0.0008","12.0886","0.0007","90","","103.407","0.002","90","","1170.77","0.13","100","2","100","2","","","","","","","synthetical product","6","P 1 21/c 1","-P 2ybc","14","trichloro-bis(dimethyl sulfide)-oxo-rhenium(V)","trichloro-bis(dimethyl sulfide)-oxo-rhenium(V)","","- C4 H12 Cl3 O Re S2 -","- C4 H12 Cl3 O Re S2 -","- C16 H48 Cl12 O4 Re4 S8 -","4","1","","Doliner, Tobias A.; Hartmann, Peter E.; Oberwinkler, Gernot; Belaj, Ferdinand; Dupé, Antoine; Boese, A. Daniel; Schachner, Jörg A","A di-nuclear μ-oxido rhenium(VI) complex: from deep purple to catalytic applications.","Dalton transactions (Cambridge, England : 2003)","2026","55","11","4547","4559","10.1039/d6dt00039h","","","0.71073","MoKα","","0.0316","0.0267","","","0.0668","0.0694","","","","","","1.045","","","","has coordinates","305383","2026-04-05","12:10:37",""
"7720393","17.6599","0.0009","19.3252","0.0013","19.5497","0.001","69.345","0.002","66.66","0.002","85.478","0.002","5717.8","0.6","230","","230","","","","","","","","","6","P -1","-P 1","2","","","","- C84.6 H154.4 Cl3 La3 N18.8 O41 -","- C84.6 H154.4 Cl3 La3 N18.8 O41 -","- C169.2 H308.8 Cl6 La6 N37.6 O82 -","2","1","","Evsiunina, Mariia V.; Kalinin, Mikhail A.; Kalle, Paulina; Iakovlev, Danila A.; Kalmykov, Stepan N.; Matveev, Petr I.; Borisova, Nataliya E.","Rigidified cyclic diglycolamides: coordination and extraction of trivalent f-elements.","Dalton transactions (Cambridge, England : 2003)","2026","55","11","4638","4656","10.1039/d6dt00275g","","","0.71073","MoKα","","0.0697","0.0462","","","0.0946","0.1056","","","","","","1.016","","","","has coordinates,has disorder","305386","2026-04-05","12:11:09",""
"7720394","11.42","0.002","11.3445","0.0019","13.155","0.003","96.111","0.015","103.119","0.015","89.988","0.015","1649.9","0.6","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C77 H64 N20 V2 -","- C77 H64 N20 V2 -","- C77 H64 N20 V2 -","1","0.5","","Baumgärtner, Lena; Feldmann, Claus","Homoleptic complexes of vanadium and N-heterocycles made <i>via</i> oxidation of vanadium nanoparticles.","Dalton transactions (Cambridge, England : 2003)","2026","55","12","4856","4866","10.1039/d6dt00230g","","","0.71073","MoKα","","0.0601","0.0379","","","0.0826","0.0859","","","","","","0.803","","","","has coordinates,has disorder","305388","2026-04-05","12:11:42",""
"7720395","13.852","0.003","13.732","0.002","18.117","0.004","90","","98.252","0.018","90","","3410.5","1.2","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H32 N4 Na V -","- C48 H32 N4 Na V -","- C192 H128 N16 Na4 V4 -","4","0.5","","Baumgärtner, Lena; Feldmann, Claus","Homoleptic complexes of vanadium and N-heterocycles made <i>via</i> oxidation of vanadium nanoparticles.","Dalton transactions (Cambridge, England : 2003)","2026","55","12","4856","4866","10.1039/d6dt00230g","","","0.71073","MoKα","","0.0482","0.0267","","","0.0467","0.0485","","","","","","0.731","","","","has coordinates","305388","2026-04-05","12:11:42",""
"7720396","14.967","0.003","15.205","0.002","11.065","0.002","90","","99.05","0.015","90","","2486.8","0.8","210","","210","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 N6 V -","- C30 H24 N6 V -","- C120 H96 N24 V4 -","4","1","","Baumgärtner, Lena; Feldmann, Claus","Homoleptic complexes of vanadium and N-heterocycles made <i>via</i> oxidation of vanadium nanoparticles.","Dalton transactions (Cambridge, England : 2003)","2026","55","12","4856","4866","10.1039/d6dt00230g","","","0.71073","MoKα","","0.1231","0.0575","","","0.1449","0.1809","","","","","","0.829","","","","has coordinates","305388","2026-04-05","12:11:42",""
"7720397","10.2347","0.0005","13.5883","0.0008","20.2593","0.0008","90","","103.303","0.004","90","","2741.9","0.2","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H24 N6 V -","- C36 H24 N6 V -","- C144 H96 N24 V4 -","4","1","","Baumgärtner, Lena; Feldmann, Claus","Homoleptic complexes of vanadium and N-heterocycles made <i>via</i> oxidation of vanadium nanoparticles.","Dalton transactions (Cambridge, England : 2003)","2026","55","12","4856","4866","10.1039/d6dt00230g","","","0.71073","MoKα","","0.1111","0.0682","","","0.1658","0.195","","","","","","1.043","","","","has coordinates","305388","2026-04-05","12:11:42",""
"7720398","14.543","0.007","5.976","0.003","20.466","0.01","90","","97.769","0.01","90","","1762.4","1.5","200","","200","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H48 Au2 Cl2 -","- C40 H48 Au2 Cl2 -","- C80 H96 Au4 Cl4 -","2","0.5","","Křelinová, Magda; Forté, Jérémy; Lacoma, Tom; Annesi, Giulia; Folda, Alessandra; Rigobello, Maria Pia; Salmain, Michèle; Štěpnička, Petr; Schulz, Jiří; Bertrand, Benoît","Combining gold(I/III) complexes and the ferrociphenol scaffold for the generation of bimetallic complexes with anticancer activity.","Dalton transactions (Cambridge, England : 2003)","2026","55","12","5038","5054","10.1039/d6dt00049e","","","0.71073","MoKα","","0.1051","0.0683","","","0.1092","0.12","","","","","","1.059","","","","has coordinates","305393","2026-04-05","12:12:16",""
"7720399","13.1491","0.0007","14.008","0.0007","14.7986","0.0008","81.866","0.002","73.881","0.002","78.051","0.002","2551.6","0.2","200","","200","","","","","","","","","8","P -1","-P 1","2","","","","- C50 H57 Au Cl2 F6 Fe N2 P2 -","- C50 H57 Au Cl2 F6 Fe N2 P2 -","- C100 H114 Au2 Cl4 F12 Fe2 N4 P4 -","2","1","","Křelinová, Magda; Forté, Jérémy; Lacoma, Tom; Annesi, Giulia; Folda, Alessandra; Rigobello, Maria Pia; Salmain, Michèle; Štěpnička, Petr; Schulz, Jiří; Bertrand, Benoît","Combining gold(I/III) complexes and the ferrociphenol scaffold for the generation of bimetallic complexes with anticancer activity.","Dalton transactions (Cambridge, England : 2003)","2026","55","12","5038","5054","10.1039/d6dt00049e","","","0.71073","MoKα","","0.0583","0.036","","","0.0633","0.0699","","","","","","1.006","","","","has coordinates,has disorder","305393","2026-04-05","12:12:16",""
"7720400","32.5183","0.001","18.0719","0.0002","31.6045","0.0009","90","","126.481","0.004","90","","14933.6","1","100.01","0.1","100.01","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C108 H104 Dy8 N40 O44 -","- C108 H104 Dy8 N40 O44 -","- C432 H416 Dy32 N160 O176 -","4","0.5","","Liu, Cai-Ming; Hao, Xiang","Fixing CO<sub>2</sub> from the air to assemble Dy<sub>8</sub> zero-field single-molecule magnets and Gd<sub>8</sub> magnetocaloric molecular materials.","Dalton transactions (Cambridge, England : 2003)","2026","55","12","5055","5063","10.1039/d6dt00214e","","x-ray","1.54184","CuKα","","0.0545","0.0457","","","0.1226","0.1288","","","","","","1.038","","","","has coordinates","305390","2026-04-05","12:11:57",""
"7720401","32.5485","0.0008","18.1561","0.0004","28.8794","0.0008","90","","118.271","0.003","90","","15030.7","0.8","100","0.13","100","0.13","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C108 H104 Gd8 N40 O44 -","- C108 H104 Gd8 N40 O44 -","- C432 H416 Gd32 N160 O176 -","4","0.5","","Liu, Cai-Ming; Hao, Xiang","Fixing CO<sub>2</sub> from the air to assemble Dy<sub>8</sub> zero-field single-molecule magnets and Gd<sub>8</sub> magnetocaloric molecular materials.","Dalton transactions (Cambridge, England : 2003)","2026","55","12","5055","5063","10.1039/d6dt00214e","","x-ray","1.54184","CuKα","","0.0778","0.0531","","","0.1394","0.1522","","","","","","1.052","","","","has coordinates","305390","2026-04-05","12:11:57",""
"7720402","11.7867","0.0002","12.4022","0.0002","13.6136","0.0002","65.148","0.001","87.54","0.001","83.234","0.001","1793.14","0.05","100","0.1","100","0.1","","","","","","","","7","P 1","P 1","1","","","","- C52 H84 Dy2 F6 N16 O22 S2 -","- C52 H84 Dy2 F6 N16 O22 S2 -","- C52 H84 Dy2 F6 N16 O22 S2 -","1","1","","Liu, Cai-Ming; Hao, Xiang","Fixing CO<sub>2</sub> from the air to assemble Dy<sub>8</sub> zero-field single-molecule magnets and Gd<sub>8</sub> magnetocaloric molecular materials.","Dalton transactions (Cambridge, England : 2003)","2026","55","12","5055","5063","10.1039/d6dt00214e","","x-ray","1.54184","CuKα","","0.04","0.0397","","","0.104","0.1044","","","","","","1.02","","","","has coordinates","305390","2026-04-05","12:11:57",""
"7720403","12.2359","0.0005","39.5973","0.0014","12.9688","0.0004","90","","93.879","0.001","90","","6269.1","0.4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","[Ir(H)(PMe3)(tBu4POCOP)][BArF4]","","- C57 H61 B F24 Ir O2 P3 -","- C57 H61 B F24 Ir O2 P3 -","- C228 H244 B4 F96 Ir4 O8 P12 -","4","1","","Pradhan, Mitarani; Surati, Zeel Y.; Pal, Apurba Kumar; Vanka, Kumar; Jagirdar, Balaji R.","Heterolytic cleavage of the B-H bond in H<sub>3</sub>B·L (L = THF, NMe<sub>2</sub>H) by an electrophilic Ir(III) pincer complex [Ir(H)(PMe<sub>3</sub>)(<sup><i>t</i>Bu4</sup>POCOP)][BArF4].","Dalton transactions (Cambridge, England : 2003)","2026","55","1","476","491","10.1039/d5dt01780g","","","0.71073","MoKα","","0.0529","0.0436","","","0.0735","0.076","","","","","","1.139","","","","has coordinates,has disorder","304732","2026-03-04","11:02:19",""
"7720404","9.221","0.0004","8.0654","0.0003","15.8229","0.0006","90","","104.415","0.004","90","","1139.72","0.08","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C5 H5 Br3 Cl N Pb -","- C5 H5 Br3 Cl N Pb -","- C20 H20 Br12 Cl4 N4 Pb4 -","4","1","","Selivanov, N. I.; Kevorkyants, R.; Emeline, A. V.","Structural and optoelectronic properties of quasi-1D hybrid 3-halogenopyridinium lead bromides.","Dalton transactions (Cambridge, England : 2003)","2026","55","5","2232","2241","10.1039/d5dt02637g","","x-ray","0.71073","MoKα","","0.0621","0.0344","","","0.0564","0.0609","","","","","","1.052","","","","has coordinates","304733","2026-03-04","11:06:32",""
"7720405","9.6254","0.0004","8.0836","0.0003","15.7786","0.0007","90","","105.349","0.005","90","","1183.91","0.09","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C5 H5 Br3 I N Pb -","- C5 H5 Br3 I N Pb -","- C20 H20 Br12 I4 N4 Pb4 -","4","1","","Selivanov, N. I.; Kevorkyants, R.; Emeline, A. V.","Structural and optoelectronic properties of quasi-1D hybrid 3-halogenopyridinium lead bromides.","Dalton transactions (Cambridge, England : 2003)","2026","55","5","2232","2241","10.1039/d5dt02637g","","x-ray","0.71073","MoKα","","0.0911","0.0436","","","0.0749","0.0839","","","","","","1.015","","","","has coordinates","304733","2026-03-04","11:06:33",""
"7720406","9.3638","0.0003","8.0748","0.0002","15.7895","0.0007","90","","104.49","0.004","90","","1155.88","0.07","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H5 Br4 N Pb -","- C5 H5 Br4 N Pb -","- C20 H20 Br16 N4 Pb4 -","4","1","","Selivanov, N. I.; Kevorkyants, R.; Emeline, A. V.","Structural and optoelectronic properties of quasi-1D hybrid 3-halogenopyridinium lead bromides.","Dalton transactions (Cambridge, England : 2003)","2026","55","5","2232","2241","10.1039/d5dt02637g","","x-ray","0.71073","MoKα","","0.0347","0.0275","","","0.0627","0.0649","","","","","","1.046","","","","has coordinates","304733","2026-03-04","11:06:34",""
"7720407","8.5602","0.0003","9.1168","0.0003","11.422","0.0004","95.534","0.001","94.733","0.001","96.584","0.001","877.43","0.05","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H26 La2 N12 O22 -","- C22 H26 La2 N12 O22 -","- C22 H26 La2 N12 O22 -","1","0.5","","Liu, Bo-Yu; Abdukader, Ablimit; Huang, Jian-Bo; Wang, Lu-Lu; Wang, Duo-Zhi","Self-assembly of binuclear/hexanuclear lanthanide complexes for functional catalysis.","Dalton transactions (Cambridge, England : 2003)","2026","55","5","2312","2317","10.1039/d5dt02757h","","","0.71073","MoKα","","0.0331","0.0275","","","0.0636","0.0673","","","","","","1.157","","","","has coordinates","304734","2026-03-04","11:07:22",""
"7720408","8.568","0.0009","9.088","0.001","11.3279","0.0012","95.682","0.003","94.776","0.003","97.044","0.003","867.03","0.16","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H26 N12 O22 Sm2 -","- C22 H26 N12 O22 Sm2 -","- C22 H26 N12 O22 Sm2 -","1","0.5","","Liu, Bo-Yu; Abdukader, Ablimit; Huang, Jian-Bo; Wang, Lu-Lu; Wang, Duo-Zhi","Self-assembly of binuclear/hexanuclear lanthanide complexes for functional catalysis.","Dalton transactions (Cambridge, England : 2003)","2026","55","5","2312","2317","10.1039/d5dt02757h","","","0.71073","MoKα","","0.0294","0.0246","","","0.0501","0.0521","","","","","","1.061","","","","has coordinates","304734","2026-03-04","11:07:22",""
"7720409","8.62","0.009","9.188","0.009","11.602","0.011","95.61","0.03","94.86","0.03","96.1","0.03","905.1","1.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H26 Dy2 N12 O22 -","- C22 H26 Dy2 N12 O22 -","- C22 H26 Dy2 N12 O22 -","1","0.5","","Liu, Bo-Yu; Abdukader, Ablimit; Huang, Jian-Bo; Wang, Lu-Lu; Wang, Duo-Zhi","Self-assembly of binuclear/hexanuclear lanthanide complexes for functional catalysis.","Dalton transactions (Cambridge, England : 2003)","2026","55","5","2312","2317","10.1039/d5dt02757h","","","0.71073","MoKα","","0.0545","0.046","","","0.1125","0.1175","","","","","","1.045","","","","has coordinates","304734","2026-03-04","11:07:22",""
"7720410","8.5601","0.001","9.105","0.001","11.3843","0.0012","95.586","0.003","94.771","0.003","96.714","0.003","873","0.17","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H26 N12 Nd2 O22 -","- C22 H26 N12 Nd2 O22 -","- C22 H26 N12 Nd2 O22 -","1","0.5","","Liu, Bo-Yu; Abdukader, Ablimit; Huang, Jian-Bo; Wang, Lu-Lu; Wang, Duo-Zhi","Self-assembly of binuclear/hexanuclear lanthanide complexes for functional catalysis.","Dalton transactions (Cambridge, England : 2003)","2026","55","5","2312","2317","10.1039/d5dt02757h","","","0.71073","MoKα","","0.0348","0.0275","","","0.0481","0.051","","","","","","1.094","","","","has coordinates","304734","2026-03-04","11:07:22",""
"7720411","14.8086","0.0008","14.8086","0.0008","53.648","0.004","90","","90","","90","","11764.7","1.3","296","2","296","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C22 H20 Er1.5 N8 O10.25 -","- C22 H20 Er1.5 N8 O10.25 -","- C352 H320 Er24 N128 O164 -","16","1","","Liu, Bo-Yu; Abdukader, Ablimit; Huang, Jian-Bo; Wang, Lu-Lu; Wang, Duo-Zhi","Self-assembly of binuclear/hexanuclear lanthanide complexes for functional catalysis.","Dalton transactions (Cambridge, England : 2003)","2026","55","5","2312","2317","10.1039/d5dt02757h","","","0.71073","MoKα","","0.1427","0.0628","","","0.1332","0.1623","","","","","","1.025","","","","has coordinates","304734","2026-03-04","11:07:22",""
"7720412","14.7916","0.0005","14.7916","0.0005","53.557","0.003","90","","90","","90","","11717.8","0.9","296","2","296.15","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C44 H44 Ho3 N16 O20.5 -","- C44 H44 Ho3 N16 O20.5 -","- C352 H352 Ho24 N128 O164 -","8","0.5","","Liu, Bo-Yu; Abdukader, Ablimit; Huang, Jian-Bo; Wang, Lu-Lu; Wang, Duo-Zhi","Self-assembly of binuclear/hexanuclear lanthanide complexes for functional catalysis.","Dalton transactions (Cambridge, England : 2003)","2026","55","5","2312","2317","10.1039/d5dt02757h","","","0.71073","MoKα","","0.0932","0.0627","","","0.1354","0.1527","","","","","","1.129","","","","has coordinates","304734","2026-03-04","11:07:22",""
"7720413","7.255","0.004","7.554","0.004","8.201","0.004","113.368","0.008","103.575","0.007","102.904","0.007","375","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","BaMgSi3O8","","- Ba Mg O8 Si3 -","- Ba Mg O8 Si3 -","- Ba2 Mg2 O16 Si6 -","2","1","","Hikita, Wataru; Sato, Mineo; Toda, Kenji","Crystal structure elucidation and luminescence properties of a blue-emitting BaMgSi<sub>3</sub>O<sub>8</sub>:Eu<sup>2+</sup> phosphor with an alkali feldspar structure.","Dalton transactions (Cambridge, England : 2003)","2026","55","5","2148","2155","10.1039/d5dt02821c","","x-ray","0.71073","MoKα","","0.0378","0.0313","","","0.0716","0.074","","","","","","1.111","","","","has coordinates","304735","2026-03-04","11:07:48",""
"7720414","14.81","0.004","18.242","0.005","8.351","0.002","90","","105.38","0.007","90","","2175.3","1","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 N8 O6 -","- C19 H22 N8 O6 -","- C76 H88 N32 O24 -","4","1","","Nehe, Sagar; Ghule, Vikas D.; Dharavath, Srinivas","Fused pyrazolo[3,4-<i>d</i>] pyrimidine nitrogen-rich salts with balanced energetic performance.","Dalton transactions (Cambridge, England : 2003)","2026","55","5","2025","2029","10.1039/d5dt02893k","","x-ray","0.71073","MoKα","","0.0777","0.0743","","","0.1861","0.1891","","","","","","1.0475","","","","has coordinates","304736","2026-03-04","11:08:12",""
"7720415","8.2556","0.0002","25.4712","0.0007","9.0244","0.0002","90","","92.447","0.002","90","","1895.92","0.08","150","0.1","150","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H20 Br4 Cd N4 O -","- C10 H20 Br4 Cd N4 O -","- C40 H80 Br16 Cd4 N16 O4 -","4","1","","Chen, Jie; Qu, Hao; Zhang, Jie; Huo, Meng-Rui; Zhang, Wen-Wen; Liu, Bing-Qi; Chai, Jianfei; Ji, Chunqing; Chen, Xiangyu; Wang, Yu-Yin; Zhou, Yan; Lin, Guoming","A centimeter-sized water-resistant blue-light-emitting zero-dimensional hybrid halide for solid-state lighting.","Dalton transactions (Cambridge, England : 2003)","2026","55","5","2181","2190","10.1039/d5dt02670a","","x-ray","1.54184","CuKα","","0.0681","0.0655","","","0.1798","0.1833","","","","","","1.064","","","","has coordinates","304737","2026-03-04","11:08:33",""
"7720416","8.2781","0.0001","25.5437","0.0004","9.04","0.0001","90","","92.375","0.001","90","","1909.9","0.04","200","0.1","200","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H20 Br4 Cd N4 O -","- C10 H20 Br4 Cd N4 O -","- C40 H80 Br16 Cd4 N16 O4 -","4","1","","Chen, Jie; Qu, Hao; Zhang, Jie; Huo, Meng-Rui; Zhang, Wen-Wen; Liu, Bing-Qi; Chai, Jianfei; Ji, Chunqing; Chen, Xiangyu; Wang, Yu-Yin; Zhou, Yan; Lin, Guoming","A centimeter-sized water-resistant blue-light-emitting zero-dimensional hybrid halide for solid-state lighting.","Dalton transactions (Cambridge, England : 2003)","2026","55","5","2181","2190","10.1039/d5dt02670a","","x-ray","1.54184","CuKα","","0.0496","0.0478","","","0.1394","0.1414","","","","","","1.046","","","","has coordinates","304737","2026-03-04","11:08:34",""
"7720417","8.2377","0.0002","25.4216","0.0008","9.0131","0.0002","90","","92.488","0.002","90","","1885.7","0.09","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H20 Br4 Cd N4 O -","- C10 H20 Br4 Cd N4 O -","- C40 H80 Br16 Cd4 N16 O4 -","4","1","","Chen, Jie; Qu, Hao; Zhang, Jie; Huo, Meng-Rui; Zhang, Wen-Wen; Liu, Bing-Qi; Chai, Jianfei; Ji, Chunqing; Chen, Xiangyu; Wang, Yu-Yin; Zhou, Yan; Lin, Guoming","A centimeter-sized water-resistant blue-light-emitting zero-dimensional hybrid halide for solid-state lighting.","Dalton transactions (Cambridge, England : 2003)","2026","55","5","2181","2190","10.1039/d5dt02670a","","x-ray","1.54184","CuKα","","0.0709","0.0681","","","0.1875","0.1913","","","","","","1.058","","","","has coordinates","304737","2026-03-04","11:08:36",""
"7720418","8.2931","0.0006","25.7784","0.0019","9.0582","0.0006","90","","91.806","0.002","90","","1935.5","0.2","293.15","","293.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H20 Br4 Cd N4 O -","- C10 H20 Br4 Cd N4 O -","- C40 H80 Br16 Cd4 N16 O4 -","4","1","","Chen, Jie; Qu, Hao; Zhang, Jie; Huo, Meng-Rui; Zhang, Wen-Wen; Liu, Bing-Qi; Chai, Jianfei; Ji, Chunqing; Chen, Xiangyu; Wang, Yu-Yin; Zhou, Yan; Lin, Guoming","A centimeter-sized water-resistant blue-light-emitting zero-dimensional hybrid halide for solid-state lighting.","Dalton transactions (Cambridge, England : 2003)","2026","55","5","2181","2190","10.1039/d5dt02670a","","","0.71076","MoKα","","0.0618","0.0391","","","0.0927","0.103","","","","","","1.023","","","","has coordinates","304738","2026-03-04","11:08:56",""
"7720419","19.58922","0.00016","19.58922","0.00016","14.53473","0.00018","90","","90","","90","","5577.52","0.09","293","2","293","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C23.5 H21.5 Mg2 N6.5 O10.5 S2 -","- C16 H4 Mg2 N4 O8 S2 -","- C128 H32 Mg16 N32 O64 S16 -","8","1","","Sun, Haiyi; Liu, Yunlei; Sun, Meng; Gao, Fei; Feng, Xueying; Xu, Mingming; Wang, Xiaokang","Functionalization of benzothiadiazole in magnesium-based metal-organic framework for C<sub>2</sub>H<sub>2</sub>/CO<sub>2</sub> separation.","Dalton transactions (Cambridge, England : 2003)","2026","55","5","2036","2040","10.1039/d5dt02980e","","x-ray","1.54184","CuKα","","0.0369","0.0343","","","0.0925","0.0948","","","","","","1.058","","","","has coordinates","304739","2026-03-04","11:09:15",""
"7720420","20.6204","0.0004","24.5542","0.0005","25.5396","0.0005","90","","90","","90","","12931.1","0.4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C83.5 H64 Ga N2 O2 P2 -","- C83.5 H64 Ga N2 O2 P2 -","- C668 H512 Ga8 N16 O16 P16 -","8","1","","Skatova, Alexandra A.; Bazanov, Andrey A.; Baranov, Evgeny V.; Kiskin, Mikhail A.; Ketkov, Sergey Yu; Fedushkin, Igor L.","Gallium phosphaketenes derived from bis(imino)acenaphthenes (bian): synthesis and reactivity towards a trityl radical and bian-gallylene.","Dalton transactions (Cambridge, England : 2003)","2026","55","5","2080","2087","10.1039/d5dt02466h","","","0.71073","MoKα","","0.0862","0.0461","","","0.0952","0.1105","","","","","","1.013","","","","has coordinates,has disorder","304740","2026-03-04","11:09:52",""
"7720421","13.327","0.004","13.562","0.004","21.365","0.01","90.675","0.015","102.827","0.014","97.442","0.007","3730","2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C99.5 H81.25 Ga N2 O1.25 -","- C99.5 H81.25 Ga N2 O1.25 -","- C199 H162.5 Ga2 N4 O2.5 -","2","1","","Skatova, Alexandra A.; Bazanov, Andrey A.; Baranov, Evgeny V.; Kiskin, Mikhail A.; Ketkov, Sergey Yu; Fedushkin, Igor L.","Gallium phosphaketenes derived from bis(imino)acenaphthenes (bian): synthesis and reactivity towards a trityl radical and bian-gallylene.","Dalton transactions (Cambridge, England : 2003)","2026","55","5","2080","2087","10.1039/d5dt02466h","","","0.71073","MoKα","","0.2146","0.0813","","","0.1549","0.1821","","","","","","1.007","","","","has coordinates,has disorder","304740","2026-03-04","11:09:53",""
"7720422","12.2228","0.0004","14.9094","0.0004","20.3396","0.0006","68.618","0.003","86.435","0.003","83.84","0.002","3430.46","0.19","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C93 H76 Ga N2 O P -","- C93 H76 Ga N2 O P -","- C186 H152 Ga2 N4 O2 P2 -","2","1","","Skatova, Alexandra A.; Bazanov, Andrey A.; Baranov, Evgeny V.; Kiskin, Mikhail A.; Ketkov, Sergey Yu; Fedushkin, Igor L.","Gallium phosphaketenes derived from bis(imino)acenaphthenes (bian): synthesis and reactivity towards a trityl radical and bian-gallylene.","Dalton transactions (Cambridge, England : 2003)","2026","55","5","2080","2087","10.1039/d5dt02466h","","","0.71073","MoKα","","0.1163","0.0737","","","0.183","0.2167","","","","","","1.082","","","","has coordinates,has disorder","304740","2026-03-04","11:09:53",""
"7720423","11.8992","0.0006","14.8576","0.0005","19.8172","0.0007","85.634","0.001","82.537","0.002","89.968","0.002","3463.6","0.2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C89.64 H71.64 Cl0.28 Ga N2.73 O P -","- C89.64 H71.64 Cl0.272 Ga N2.728 O P -","- C179.28 H143.28 Cl0.544 Ga2 N5.456 O2 P2 -","2","1","","Skatova, Alexandra A.; Bazanov, Andrey A.; Baranov, Evgeny V.; Kiskin, Mikhail A.; Ketkov, Sergey Yu; Fedushkin, Igor L.","Gallium phosphaketenes derived from bis(imino)acenaphthenes (bian): synthesis and reactivity towards a trityl radical and bian-gallylene.","Dalton transactions (Cambridge, England : 2003)","2026","55","5","2080","2087","10.1039/d5dt02466h","","","0.71073","MoKα","","0.1545","0.07","","","0.1476","0.1654","","","","","","0.913","","","","has coordinates,has disorder","304740","2026-03-04","11:09:53",""
"7720424","32.181","0.0005","32.181","0.0005","37.8481","0.0012","90","","90","","90","","39196.1","1.5","100","2","100","2","","","","","","","","4","P 4/n :2","-P 4a","85","","","","- C360 H452 N24 O48 -","- C360 H452 N24 O48 -","- C720 H904 N48 O96 -","2","0.25","","Guo, Yanan; Feng, Jiajun; Wang, Wenjing; Su, Kongzhao; Yuan, Daqiang","Effective hydrogen isotope separation by a robust flexible calix[4]resorcinarene-based porous organic cage.","Dalton transactions (Cambridge, England : 2003)","2026","55","5","2030","2035","10.1039/d5dt02805a","","","1.54184","CuKα","","0.1461","0.0902","","","0.2777","0.3202","","","","","","0.962","","","","has coordinates","304741","2026-03-04","11:10:30",""
"7720425","9.7041","0.0011","12.6241","0.0015","14.1057","0.0014","103.754","0.008","100.413","0.008","112.528","0.008","1477.5","0.3","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H40 N2 O4 Ru -","- C31 H40 N2 O4 Ru -","- C62 H80 N4 O8 Ru2 -","2","1","","Rosner, Alexander; Geisler, Heiko; Hejl, Michaela; Gradl, Mathias; Legin, Anton A.; Prado-Roller, Alexander; Jakupec, Michael A.; Heffeter, Petra; Berger, Walter; Keppler, Bernhard K.; Kandioller, Wolfgang","Naphthoquinone-derived tridentate Ru(II) and Os(II) organometallics with exceptional cytotoxicity: synthesis, characterization, stability in aqueous solution and biological <i>in vitro</i> evaluation.","Dalton transactions (Cambridge, England : 2003)","2026","55","5","2254","2268","10.1039/d5dt01649e","","","0.71073","MoKα","","0.0832","0.0433","","","0.0808","0.0852","","","","","","0.911","","","","has coordinates,has disorder","304742","2026-03-04","11:11:32",""
"7720426","9.7072","0.0006","12.7353","0.0008","14.3871","0.0008","102.98","0.005","102.104","0.005","111.815","0.005","1522.21","0.19","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H42 N2 O4 Os -","- C32 H42 N2 O4 Os -","- C64 H84 N4 O8 Os2 -","2","1","","Rosner, Alexander; Geisler, Heiko; Hejl, Michaela; Gradl, Mathias; Legin, Anton A.; Prado-Roller, Alexander; Jakupec, Michael A.; Heffeter, Petra; Berger, Walter; Keppler, Bernhard K.; Kandioller, Wolfgang","Naphthoquinone-derived tridentate Ru(II) and Os(II) organometallics with exceptional cytotoxicity: synthesis, characterization, stability in aqueous solution and biological <i>in vitro</i> evaluation.","Dalton transactions (Cambridge, England : 2003)","2026","55","5","2254","2268","10.1039/d5dt01649e","","x-ray","0.71073","MoKα","","0.0881","0.0384","","","0.0623","0.0706","","","","","","0.873","","","","has coordinates","304742","2026-03-04","11:11:33",""
"7720427","9.6961","0.0005","12.7169","0.0008","14.3705","0.0009","103.068","0.005","102.083","0.005","111.797","0.004","1516.05","0.18","100","2","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H42 N2 O4 Ru -","- C32 H42 N2 O4 Ru -","- C64 H84 N4 O8 Ru2 -","2","1","","Rosner, Alexander; Geisler, Heiko; Hejl, Michaela; Gradl, Mathias; Legin, Anton A.; Prado-Roller, Alexander; Jakupec, Michael A.; Heffeter, Petra; Berger, Walter; Keppler, Bernhard K.; Kandioller, Wolfgang","Naphthoquinone-derived tridentate Ru(II) and Os(II) organometallics with exceptional cytotoxicity: synthesis, characterization, stability in aqueous solution and biological <i>in vitro</i> evaluation.","Dalton transactions (Cambridge, England : 2003)","2026","55","5","2254","2268","10.1039/d5dt01649e","","","0.71073","MoKα","","0.0831","0.0423","","","0.0762","0.0823","","","","","","0.951","","","","has coordinates","304742","2026-03-04","11:11:33",""
"7720428","12.467","0.0004","14.7959","0.0005","15.8824","0.0005","70.962","0.002","81.738","0.003","70.666","0.002","2611.15","0.15","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C29 H34 N2 O3 Ru -","- C29 H34 N2 O3 Ru -","- C116 H136 N8 O12 Ru4 -","4","2","","Rosner, Alexander; Geisler, Heiko; Hejl, Michaela; Gradl, Mathias; Legin, Anton A.; Prado-Roller, Alexander; Jakupec, Michael A.; Heffeter, Petra; Berger, Walter; Keppler, Bernhard K.; Kandioller, Wolfgang","Naphthoquinone-derived tridentate Ru(II) and Os(II) organometallics with exceptional cytotoxicity: synthesis, characterization, stability in aqueous solution and biological <i>in vitro</i> evaluation.","Dalton transactions (Cambridge, England : 2003)","2026","55","5","2254","2268","10.1039/d5dt01649e","","","0.71073","MoKα","","0.083","0.0397","","","0.0937","0.1017","","","","","","0.919","","","","has coordinates,has disorder","304742","2026-03-04","11:11:33",""
"7720429","10.174","0.002","10.412","0.002","12.597","0.003","102.88","0.03","92.89","0.03","118.32","0.03","1126","0.6","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H28 N2 O3 Os -","- C26 H28 N2 O3 Os -","- C52 H56 N4 O6 Os2 -","2","1","","Rosner, Alexander; Geisler, Heiko; Hejl, Michaela; Gradl, Mathias; Legin, Anton A.; Prado-Roller, Alexander; Jakupec, Michael A.; Heffeter, Petra; Berger, Walter; Keppler, Bernhard K.; Kandioller, Wolfgang","Naphthoquinone-derived tridentate Ru(II) and Os(II) organometallics with exceptional cytotoxicity: synthesis, characterization, stability in aqueous solution and biological <i>in vitro</i> evaluation.","Dalton transactions (Cambridge, England : 2003)","2026","55","5","2254","2268","10.1039/d5dt01649e","","x-ray","1.54178","CuKα","","0.0171","0.0167","","","0.0412","0.0414","","","","","","1.097","","","","has coordinates","304742","2026-03-04","11:11:33",""
"7720430","10.1522","0.0003","10.4123","0.0004","12.5901","0.0004","102.837","0.002","92.546","0.002","118.448","0.001","1123.26","0.07","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H28 N2 O3 Ru -","- C26 H28 N2 O3 Ru -","- C52 H56 N4 O6 Ru2 -","2","1","","Rosner, Alexander; Geisler, Heiko; Hejl, Michaela; Gradl, Mathias; Legin, Anton A.; Prado-Roller, Alexander; Jakupec, Michael A.; Heffeter, Petra; Berger, Walter; Keppler, Bernhard K.; Kandioller, Wolfgang","Naphthoquinone-derived tridentate Ru(II) and Os(II) organometallics with exceptional cytotoxicity: synthesis, characterization, stability in aqueous solution and biological <i>in vitro</i> evaluation.","Dalton transactions (Cambridge, England : 2003)","2026","55","5","2254","2268","10.1039/d5dt01649e","","","0.71073","MoKα","","0.0202","0.0187","","","0.0473","0.0479","","","","","","1.036","","","","has coordinates","304742","2026-03-04","11:11:33",""
"7720431","9.7513","0.0004","9.8612","0.0004","13.5758","0.0006","101.981","0.003","108.052","0.003","96.82","0.003","1190.39","0.09","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H30 N2 O3 Os -","- C27 H30 N2 O3 Os -","- C54 H60 N4 O6 Os2 -","2","1","","Rosner, Alexander; Geisler, Heiko; Hejl, Michaela; Gradl, Mathias; Legin, Anton A.; Prado-Roller, Alexander; Jakupec, Michael A.; Heffeter, Petra; Berger, Walter; Keppler, Bernhard K.; Kandioller, Wolfgang","Naphthoquinone-derived tridentate Ru(II) and Os(II) organometallics with exceptional cytotoxicity: synthesis, characterization, stability in aqueous solution and biological <i>in vitro</i> evaluation.","Dalton transactions (Cambridge, England : 2003)","2026","55","5","2254","2268","10.1039/d5dt01649e","","x-ray","0.71073","MoKα","","0.0449","0.034","","","0.0772","0.0796","","","","","","0.997","","","","has coordinates","304742","2026-03-04","11:11:33",""
"7720432","10.1908","0.0005","17.8342","0.0008","12.9983","0.0008","90","","95.158","0.005","90","","2352.8","0.2","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H30 N2 O3 Os -","- C27 H30 N2 O3 Os -","- C108 H120 N8 O12 Os4 -","4","1","","Rosner, Alexander; Geisler, Heiko; Hejl, Michaela; Gradl, Mathias; Legin, Anton A.; Prado-Roller, Alexander; Jakupec, Michael A.; Heffeter, Petra; Berger, Walter; Keppler, Bernhard K.; Kandioller, Wolfgang","Naphthoquinone-derived tridentate Ru(II) and Os(II) organometallics with exceptional cytotoxicity: synthesis, characterization, stability in aqueous solution and biological <i>in vitro</i> evaluation.","Dalton transactions (Cambridge, England : 2003)","2026","55","5","2254","2268","10.1039/d5dt01649e","","x-ray","0.71073","MoKα","","0.0551","0.038","","","0.0922","0.0982","","","","","","1.011","","","","has coordinates","304742","2026-03-04","11:11:33",""
"7720433","9.7903","0.0005","17.4298","0.0009","13.5228","0.0007","90","","94.398","0.004","90","","2300.8","0.2","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H30 N2 O3 Ru -","- C27 H30 N2 O3 Ru -","- C108 H120 N8 O12 Ru4 -","4","1","","Rosner, Alexander; Geisler, Heiko; Hejl, Michaela; Gradl, Mathias; Legin, Anton A.; Prado-Roller, Alexander; Jakupec, Michael A.; Heffeter, Petra; Berger, Walter; Keppler, Bernhard K.; Kandioller, Wolfgang","Naphthoquinone-derived tridentate Ru(II) and Os(II) organometallics with exceptional cytotoxicity: synthesis, characterization, stability in aqueous solution and biological <i>in vitro</i> evaluation.","Dalton transactions (Cambridge, England : 2003)","2026","55","5","2254","2268","10.1039/d5dt01649e","","","0.71073","MoKα","","0.0355","0.0258","","","0.056","0.0567","","","","","","0.961","","","","has coordinates","304742","2026-03-04","11:11:33",""
"7720434","9.7915","0.0018","9.8922","0.0018","13.6713","0.0016","101.738","0.008","108.241","0.008","96.812","0.009","1207.5","0.4","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H30 N2 O3 Ru -","- C27 H30 N2 O3 Ru -","- C54 H60 N4 O6 Ru2 -","2","1","","Rosner, Alexander; Geisler, Heiko; Hejl, Michaela; Gradl, Mathias; Legin, Anton A.; Prado-Roller, Alexander; Jakupec, Michael A.; Heffeter, Petra; Berger, Walter; Keppler, Bernhard K.; Kandioller, Wolfgang","Naphthoquinone-derived tridentate Ru(II) and Os(II) organometallics with exceptional cytotoxicity: synthesis, characterization, stability in aqueous solution and biological <i>in vitro</i> evaluation.","Dalton transactions (Cambridge, England : 2003)","2026","55","5","2254","2268","10.1039/d5dt01649e","","","0.71073","MoKα","","0.0222","0.0206","","","0.0504","0.0509","","","","","","1.061","","","","has coordinates","304742","2026-03-04","11:11:33",""
"7720435","12.4011","0.0016","15.266","0.002","16.009","0.002","70.693","0.004","81.979","0.004","69.726","0.004","2682","0.6","200.15","","200.15","","","","","","","","","5","P -1","-P 1","2","","","","- C29 H34 N2 O3 Os -","- C29 H34 N2 O3 Os -","- C116 H136 N8 O12 Os4 -","4","2","","Rosner, Alexander; Geisler, Heiko; Hejl, Michaela; Gradl, Mathias; Legin, Anton A.; Prado-Roller, Alexander; Jakupec, Michael A.; Heffeter, Petra; Berger, Walter; Keppler, Bernhard K.; Kandioller, Wolfgang","Naphthoquinone-derived tridentate Ru(II) and Os(II) organometallics with exceptional cytotoxicity: synthesis, characterization, stability in aqueous solution and biological <i>in vitro</i> evaluation.","Dalton transactions (Cambridge, England : 2003)","2026","55","5","2254","2268","10.1039/d5dt01649e","","","0.71073","MoKα","","0.0964","0.0462","","","0.0855","0.0954","","","","","","1.057","","","","has coordinates,has disorder","304742","2026-03-04","11:11:33",""
"7720436","9.835","0.0004","17.5139","0.0004","13.538","0.0003","90","","94.237","0.002","90","","2325.54","0.12","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H30 N2 O3 Os -","- C27 H30 N2 O3 Os -","- C108 H120 N8 O12 Os4 -","4","1","","Rosner, Alexander; Geisler, Heiko; Hejl, Michaela; Gradl, Mathias; Legin, Anton A.; Prado-Roller, Alexander; Jakupec, Michael A.; Heffeter, Petra; Berger, Walter; Keppler, Bernhard K.; Kandioller, Wolfgang","Naphthoquinone-derived tridentate Ru(II) and Os(II) organometallics with exceptional cytotoxicity: synthesis, characterization, stability in aqueous solution and biological <i>in vitro</i> evaluation.","Dalton transactions (Cambridge, England : 2003)","2026","55","5","2254","2268","10.1039/d5dt01649e","","","0.71073","MoKα","","0.0152","0.0134","","","0.0318","0.0323","","","","","","1.075","","","","has coordinates","304742","2026-03-04","11:11:33",""
"7720437","23.1108","0.0008","16.0696","0.0005","17.3591","0.0006","90","","92.189","0.003","90","","6442.1","0.4","93","2","93","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C18 H14 B2 F12 N6 O12 S4 -","- C18 H14 B2 F12 N6 O12 S4 -","- C144 H112 B16 F96 N48 O96 S32 -","8","1","","Yamamoto, Masahiro; Yamashita, Makoto","Substituent effect on the boron atoms in boron-bridged hexazenes.","Dalton transactions (Cambridge, England : 2003)","2026","55","5","2041","2045","10.1039/d5dt02896e","","x-ray","0.71073","MoKα","","0.0835","0.0482","","","0.0918","0.1008","","","","","","1.014","","","","has coordinates,has disorder","304743","2026-03-04","11:12:09",""
"7720438","9.51","0.005","10.265","0.005","11.092","0.006","95.1397","0.0011","108.318","0.006","109.543","0.006","945.5","0.9","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H14 B2 Cl4 N6 -","- C14 H14 B2 Cl4 N6 -","- C28 H28 B4 Cl8 N12 -","2","1","","Yamamoto, Masahiro; Yamashita, Makoto","Substituent effect on the boron atoms in boron-bridged hexazenes.","Dalton transactions (Cambridge, England : 2003)","2026","55","5","2041","2045","10.1039/d5dt02896e","","x-ray","0.71075","MoKα","","0.0861","0.0448","","","0.0875","0.1009","","","","","","1.006","","","","has coordinates","304743","2026-03-04","11:12:10",""
"7720439","11.046","0.002","6.4077","0.0013","13.815","0.003","90","","101.687","0.006","90","","957.5","0.3","93","2","93","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H26 B2 N6 -","- C18 H26 B2 N6 -","- C36 H52 B4 N12 -","2","0.5","","Yamamoto, Masahiro; Yamashita, Makoto","Substituent effect on the boron atoms in boron-bridged hexazenes.","Dalton transactions (Cambridge, England : 2003)","2026","55","5","2041","2045","10.1039/d5dt02896e","","x-ray","0.71075","MoKα","","0.074","0.0476","","","0.103","0.1143","","","","","","1.054","","","","has coordinates","304743","2026-03-04","11:12:10",""
"7720440","41.1758","0.0015","37.6331","0.0014","25.835","0.0011","90","","118.335","0.001","90","","35237","2","150","","150","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C4 H3 Na3.83 Nd2.5 O118.33 Se5 W30 -","- C4 H3 Na3.8333 Nd2.5 O118.333 Se5 W30 -","- C32 H24 Na30.6664 Nd20 O946.666 Se40 W240 -","8","1","","Wang, Hao-Zhe; Liu, Yu-Feng; Lin, Zhou-Fu; Li, Shi-Xiong; Yang, Guo-Ping","A one-dimensional selenotungstate based on neodymium and {SeO<sub>3</sub>} groups for catalytic synthesis of imidazoles.","Dalton transactions (Cambridge, England : 2003)","2026","55","4","1646","1652","10.1039/d5dt02801a","","","0.71073","MoKα","","0.0763","0.0487","","","0.1154","0.1279","","","","","","1.022","","","","has coordinates,has disorder","304744","2026-03-04","11:12:34",""
"7720441","10.5121","0.0006","11.5698","0.0005","19.0923","0.001","96.406","0.002","93.983","0.003","101.347","0.002","2252.5","0.2","294.96","","294.96","","","","","","","","","5","P -1","-P 1","2","","","","- C52 H40 Co2 N8 O8 -","- C52 H40 Co2 N8 O8 -","- C104 H80 Co4 N16 O16 -","2","1","","She, Jia-Hong; Sun, Mi-Zhen; Zhang, Shu-Ran; Xu, Guang-Juan; Xu, Yan-Hong; Xie, Wei; Hu, Xiao-Li; Su, Zhong-Min","Cobalt MOF-derived Co/CoO/C composites for efficient peroxymonosulfate activation and oxytetracycline degradation.","Dalton transactions (Cambridge, England : 2003)","2026","55","4","1891","1900","10.1039/d5dt02313k","","","0.71073","MoKα","","0.0817","0.0516","","","0.1168","0.1295","","","","","","1.059","","","","has coordinates","304745","2026-03-04","11:12:52",""
"7720442","12.1819","0.0002","18.8361","0.0003","20.6597","0.0004","90","","103.817","0.002","90","","4603.39","0.14","93","","93","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C43 H77 Ca N3 O Si2 -","- C43 H77 Ca N3 O Si2 -","- C172 H308 Ca4 N12 O4 Si8 -","4","1","","de Vere-Tucker, Matthew; Slawin, Alexandra M. Z.; Cordes, David B.; Stasch, Andreas","Synthesis of heteroleptic calcium amide complexes <i>via</i> manipulation of the Schlenk equilibrium.","Dalton transactions (Cambridge, England : 2003)","2026","55","4","1708","1715","10.1039/d5dt02949j","","","0.71073","MoKα","","0.0345","0.0311","","","0.0858","0.0878","","","","","","1.054","","","","has coordinates","304746","2026-03-04","11:13:44",""
"7720443","11.921","0.0009","29.295","0.002","13.3529","0.0009","90","","113.11","0.0017","90","","4289","0.5","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H67 Ca N3 Si2 -","- C39 H67 Ca N3 Si2 -","- C156 H268 Ca4 N12 Si8 -","4","1","","de Vere-Tucker, Matthew; Slawin, Alexandra M. Z.; Cordes, David B.; Stasch, Andreas","Synthesis of heteroleptic calcium amide complexes <i>via</i> manipulation of the Schlenk equilibrium.","Dalton transactions (Cambridge, England : 2003)","2026","55","4","1708","1715","10.1039/d5dt02949j","","","0.71075","MoKα","","0.047","0.0422","","","0.1113","0.1177","","","","","","1.03","","","","has coordinates","304746","2026-03-04","11:13:44",""
"7720444","17.2323","0.0018","17.2323","0.0018","43.437","0.005","90","","90","","90","","12899","2","93","","93","","","","","","","","","4","I 41 c d","I 4bw -2c","110","","","","- C66 H100 Ca2 N4 -","- C66 H100 Ca2 N4 -","- C528 H800 Ca16 N32 -","8","0.5","","de Vere-Tucker, Matthew; Slawin, Alexandra M. Z.; Cordes, David B.; Stasch, Andreas","Synthesis of heteroleptic calcium amide complexes <i>via</i> manipulation of the Schlenk equilibrium.","Dalton transactions (Cambridge, England : 2003)","2026","55","4","1708","1715","10.1039/d5dt02949j","","","0.71073","MoKα","","0.0286","0.0263","","","0.0659","0.0671","","","","","","1.044","","","","has coordinates","304746","2026-03-04","11:13:44",""
"7720445","12.1402","0.0014","18.385","0.003","22.976","0.003","90","","92.196","0.004","90","","5124.4","1.2","93","","93","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C47 H87 Ca N3 O2 Si2 -","- C47 H87 Ca N3 O2 Si2 -","- C188 H348 Ca4 N12 O8 Si8 -","4","1","","de Vere-Tucker, Matthew; Slawin, Alexandra M. Z.; Cordes, David B.; Stasch, Andreas","Synthesis of heteroleptic calcium amide complexes <i>via</i> manipulation of the Schlenk equilibrium.","Dalton transactions (Cambridge, England : 2003)","2026","55","4","1708","1715","10.1039/d5dt02949j","","","0.71073","MoKα","","0.0407","0.0361","","","0.0953","0.0992","","","","","","1.062","","","","has coordinates,has disorder","304746","2026-03-04","11:13:44",""
"7720446","12.734","0.0006","13.0655","0.0007","20.7474","0.0009","90.774","0.004","91.907","0.004","112.633","0.005","3183","0.3","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C68 H103 Ca N4 O0.5 -","- C68 H103 Ca N4 O0.5 -","- C136 H206 Ca2 N8 O -","2","1","","de Vere-Tucker, Matthew; Slawin, Alexandra M. Z.; Cordes, David B.; Stasch, Andreas","Synthesis of heteroleptic calcium amide complexes <i>via</i> manipulation of the Schlenk equilibrium.","Dalton transactions (Cambridge, England : 2003)","2026","55","4","1708","1715","10.1039/d5dt02949j","","","0.71073","MoKα","","0.1251","0.0563","","","0.1057","0.1272","","","","","","1","","","","has coordinates,has disorder","304746","2026-03-04","11:13:44",""
"7720447","41.158","0.003","13.0488","0.0009","9.6912","0.0006","90","","96.608","0.002","90","","5170.2","0.6","300","","300","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C56 H45.47 N4 O14 Ti2 -","- C56 H43.2 N4 O12 Ti2.5 -","- C224 H172.8 N16 O48 Ti10 -","4","0.5","","Subramaniyan, Mahabarathi; Thanigachalam, Sathish; Salimath, Shivabasayya V.; Ramasamy, Selva Kumar; George, Kevin; Pathak, Madhvesh","Synthesis, characterization and <i>in vitro</i> studies of metallacyclic derivatives of titanium(IV) incorporated with Schiff's bases: DNA/BSA binding, computational aspects and cytotoxic potential.","Dalton transactions (Cambridge, England : 2003)","2026","55","4","1806","1832","10.1039/d5dt02277k","","","0.71073","MoKα","","0.2258","0.1625","","","0.3797","0.4189","","","","","","1.06","","","","has coordinates,has disorder","304747","2026-03-04","11:14:28",""
"7720448","9.835","0.002","9.835","0.002","26.225","0.005","90","0.03","90","0.03","90","0.03","2536.7","0.9","299","2","299","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C120 H104 N16 O16 Ti4 -","- C120 H104 N8 O24 Ti4 -","- C120 H104 N8 O24 Ti4 -","1","0.125","","Subramaniyan, Mahabarathi; Thanigachalam, Sathish; Salimath, Shivabasayya V.; Ramasamy, Selva Kumar; George, Kevin; Pathak, Madhvesh","Synthesis, characterization and <i>in vitro</i> studies of metallacyclic derivatives of titanium(IV) incorporated with Schiff's bases: DNA/BSA binding, computational aspects and cytotoxic potential.","Dalton transactions (Cambridge, England : 2003)","2026","55","4","1806","1832","10.1039/d5dt02277k","","","0.71073","MoKα","","0.0696","0.0388","","","0.0885","0.1062","","","","","","1.109","","","","has coordinates","304747","2026-03-04","11:14:29",""
"7720449","7.0381","0.0017","5.5378","0.0012","14.505","0.003","90","","92.65","0.009","90","","564.7","0.2","296.15","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- F2 Na2 O4 S Sn -","- F2 Na2 O4 S Sn -","- F8 Na8 O16 S4 Sn4 -","4","1","","Wang, Jia; Zhang, Wenbin; Ma, Xiangcong; Zhang, Fangfang; Du, Hong; Han, Shujuan","Na<sub>2</sub>SnSO<sub>4</sub>F<sub>2</sub>: an ultraviolet-transparent sulfate crystal with large birefringence driven by stereochemically active tin(II).","Dalton transactions (Cambridge, England : 2003)","2026","55","4","1659","1663","10.1039/d5dt02815a","","","0.71073","MoKα","","0.0249","0.0202","","","0.0495","0.052","","","","","","1.061","","","","has coordinates","304748","2026-03-04","11:14:52",""
"7720450","27.7537","0.001","8.7587","0.0004","7.0757","0.0003","90","","90.105","0.004","90","","1720","0.12","150","2","150","0.1","","","","","","","","5","C 1 2/m 1","-C 2y","12","n/a","n/a","","- C22 H36 Cl8 Fe3 N8 -","- C22 H36 Cl8 Fe3 N8 -","- C44 H72 Cl16 Fe6 N16 -","2","0.25","","Alberti, Matteo; Rossi, Greta; Boucherabine, Djihed; Cargnoni, Fausto; Trioni, Mario Italo; Taini, Giulia; Zakutna, Dominika; Gentilin, Arianna; Đorđević, Luka; Sartorel, Andrea; Caselli, Alessandro","Photoactive Fe(III) pyclen complexes for light-driven aerobic oxidation of <i>p</i>-xylene.","Dalton transactions (Cambridge, England : 2003)","2026","55","4","1716","1726","10.1039/d5dt02534f","","x-ray","1.54184","CuKα","","0.0839","0.0676","","","0.1715","0.1914","","","","","","1.0324","","","","has coordinates","304749","2026-03-04","11:15:12",""
"7720451","22.8791","0.0019","10.8879","0.0009","9.3284","0.0007","90","","112.304","0.003","90","","2149.9","0.3","200","","200","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H35 Cl N8 O4 -","- C17 H35 Cl N8 O4 -","- C68 H140 Cl4 N32 O16 -","4","0.5","","Sanz-Garrido, Jorge; Andrés, Román; Martín, Avelino; Gonzalez-Arellano, Camino; Flores, Juan C.","Triazaadamantyl N-heterocyclic carbenes (NHC-TA): water-soluble ligands and silver complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","4","1675","1679","10.1039/d5dt02870a","","","0.71073","MoKα","","0.0503","0.0427","","","0.0963","0.1003","","","","","","1.115","","","","has coordinates","304750","2026-03-04","11:15:32",""
"7720452","16.3772","0.0003","10.4693","0.0001","14.2568","0.0002","90","","112.281","0.001","90","","2261.93","0.06","90","2","90","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H24 N2 Ni O5 P2 S4 -","- C14 H24 N2 Ni O5 P2 S4 -","- C56 H96 N8 Ni4 O20 P8 S16 -","4","1","","Pillay, Michael N.; Li, Min-Chi; Ni, Yu-Rong; Yen, Wei-Jung; Chiu, Tzu-Hao; Wang, Xiaoping; Saillard, Jean-Yves; Liu, C. W.","Solving the P-O/P-OH riddle: direct synthesis and neutron diffraction characterization of dianionic dithiophosphonates.","Dalton transactions (Cambridge, England : 2003)","2026","55","4","1637","1641","10.1039/d5dt02816g","","","1","neutron","","0.0898","0.047","","","0.07","0.0766","","","","","","1.099","","","","has coordinates","304751","2026-03-04","11:16:20",""
"7720453","12.1011","0.0002","10.9171","0.0002","9.219","0.0001","90","","97.586","0.002","90","","1207.25","0.03","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H32 N4 O5 P2 S4 -","- C14 H32 N4 O5 P2 S4 -","- C28 H64 N8 O10 P4 S8 -","2","0.5","","Pillay, Michael N.; Li, Min-Chi; Ni, Yu-Rong; Yen, Wei-Jung; Chiu, Tzu-Hao; Wang, Xiaoping; Saillard, Jean-Yves; Liu, C. W.","Solving the P-O/P-OH riddle: direct synthesis and neutron diffraction characterization of dianionic dithiophosphonates.","Dalton transactions (Cambridge, England : 2003)","2026","55","4","1637","1641","10.1039/d5dt02816g","","x-ray","1.54184","CuKα","","0.0337","0.0331","","","0.0877","0.0882","","","","","","1.052","","","","has coordinates","304751","2026-03-04","11:16:20",""
"7720454","16.4408","0.0003","10.4823","0.0002","14.5603","0.0003","90","","112.818","0.002","90","","2312.91","0.08","293.15","0.1","293.15","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H24 N2 Ni O5 P2 S4 -","- C14 H24 N2 Ni O5 P2 S4 -","- C56 H96 N8 Ni4 O20 P8 S16 -","4","1","","Pillay, Michael N.; Li, Min-Chi; Ni, Yu-Rong; Yen, Wei-Jung; Chiu, Tzu-Hao; Wang, Xiaoping; Saillard, Jean-Yves; Liu, C. W.","Solving the P-O/P-OH riddle: direct synthesis and neutron diffraction characterization of dianionic dithiophosphonates.","Dalton transactions (Cambridge, England : 2003)","2026","55","4","1637","1641","10.1039/d5dt02816g","","x-ray","1.54184","CuKα","","0.027","0.0236","","","0.0637","0.0655","","","","","","1.079","","","","has coordinates","304751","2026-03-04","11:16:20",""
"7720455","16.5343","0.0002","10.6191","0.0001","14.4834","0.0002","90","","112.913","0.002","90","","2342.34","0.06","293.15","0.1","293.15","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H24 N2 O5 P2 Pd S4 -","- C14 H24 N2 O5 P2 Pd S4 -","- C56 H96 N8 O20 P8 Pd4 S16 -","4","1","","Pillay, Michael N.; Li, Min-Chi; Ni, Yu-Rong; Yen, Wei-Jung; Chiu, Tzu-Hao; Wang, Xiaoping; Saillard, Jean-Yves; Liu, C. W.","Solving the P-O/P-OH riddle: direct synthesis and neutron diffraction characterization of dianionic dithiophosphonates.","Dalton transactions (Cambridge, England : 2003)","2026","55","4","1637","1641","10.1039/d5dt02816g","","x-ray","1.54184","CuKα","","0.051","0.0493","","","0.128","0.1302","","","","","","1.06","","","","has coordinates","304751","2026-03-04","11:16:20",""
"7720456","11.1647","0.0001","13.2084","0.0001","14.5162","0.0002","77.314","0.001","87.495","0.001","76.672","0.001","2032.11","0.04","100.15","","100.15","","","","","","","","","7","P -1","-P 1","2","","","","- C44 H39.4 Cl2 O2.2 P3 Pt S2 -","- C44 H39.4 Cl2 O2.2 P3 Pt S2 -","- C88 H78.8 Cl4 O4.4 P6 Pt2 S4 -","2","1","","Pillay, Michael N.; Li, Min-Chi; Ni, Yu-Rong; Yen, Wei-Jung; Chiu, Tzu-Hao; Wang, Xiaoping; Saillard, Jean-Yves; Liu, C. W.","Solving the P-O/P-OH riddle: direct synthesis and neutron diffraction characterization of dianionic dithiophosphonates.","Dalton transactions (Cambridge, England : 2003)","2026","55","4","1637","1641","10.1039/d5dt02816g","","","1.54184","CuKα","","0.0293","0.0289","","","0.0752","0.0755","","","","","","1.047","","","","has coordinates","304751","2026-03-04","11:16:20",""
"7720457","36.3137","0.001","9.4106","0.0002","22.9791","0.0006","90","","111.905","0.003","90","","7285.8","0.4","100","0.1","100","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C30 H50 N Ni O4 P2 S4 -","- C30 H50 N Ni O4 P2 S4 -","- C240 H400 N8 Ni8 O32 P16 S32 -","8","1","","Pillay, Michael N.; Li, Min-Chi; Ni, Yu-Rong; Yen, Wei-Jung; Chiu, Tzu-Hao; Wang, Xiaoping; Saillard, Jean-Yves; Liu, C. W.","Solving the P-O/P-OH riddle: direct synthesis and neutron diffraction characterization of dianionic dithiophosphonates.","Dalton transactions (Cambridge, England : 2003)","2026","55","4","1637","1641","10.1039/d5dt02816g","","x-ray","1.54184","CuKα","","0.0756","0.062","","","0.1667","0.1784","","","","","","1.066","","","","has coordinates,has disorder","304751","2026-03-04","11:16:20",""
"7720458","7.5663","0.0001","5.9128","0.0001","9.9436","0.0002","90","","90.895","0.001","90","","444.803","0.013","299.08","","299.08","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- K3 O8 Pr V2 -","- K3 O8 Pr V2 -","- K6 O16 Pr2 V4 -","2","0.5","","Tisdale, Hunter B.; Zur Loye, Hans-Conrad","Flux crystal growth of potassium lanthanide double vanadates with lanthanide-dependent coordination number variance.","Dalton transactions (Cambridge, England : 2003)","2026","55","4","1901","1906","10.1039/d5dt02027a","","","0.71073","MoKα","","0.0117","0.0112","","","0.0291","0.0292","","","","","","1.156","","","","has coordinates","304752","2026-03-04","11:17:06",""
"7720459","7.5342","0.0002","5.909","0.0002","9.8642","0.0003","90","","90.809","0.001","90","","439.11","0.02","299.01","","299.01","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- K3 O8 Sm V2 -","- K3 O8 Sm V2 -","- K6 O16 Sm2 V4 -","2","0.5","","Tisdale, Hunter B.; Zur Loye, Hans-Conrad","Flux crystal growth of potassium lanthanide double vanadates with lanthanide-dependent coordination number variance.","Dalton transactions (Cambridge, England : 2003)","2026","55","4","1901","1906","10.1039/d5dt02027a","","","0.71073","MoKα","","0.0133","0.0133","","","0.0348","0.0348","","","","","","1.406","","","","has coordinates","304752","2026-03-04","11:17:06",""
"7720460","7.6047","0.0001","5.9188","0.0001","20.009","0.0004","90","","90.914","0.001","90","","900.5","0.03","297.31","","297.31","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- K3 La O8 V2 -","- K3 La O8 V2 -","- K12 La4 O32 V8 -","4","1","","Tisdale, Hunter B.; Zur Loye, Hans-Conrad","Flux crystal growth of potassium lanthanide double vanadates with lanthanide-dependent coordination number variance.","Dalton transactions (Cambridge, England : 2003)","2026","55","4","1901","1906","10.1039/d5dt02027a","","","0.71073","MoKα","","0.0135","0.0134","","","0.0336","0.0337","","","","","","1.312","","","","has coordinates","304752","2026-03-04","11:17:06",""
"7720461","7.5519","0.0002","5.9169","0.0001","9.9126","0.0002","90","","90.872","0.001","90","","442.882","0.017","300.45","","300.45","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- K3 Nd O8 V2 -","- K3 Nd O8 V2 -","- K6 Nd2 O16 V4 -","2","0.5","","Tisdale, Hunter B.; Zur Loye, Hans-Conrad","Flux crystal growth of potassium lanthanide double vanadates with lanthanide-dependent coordination number variance.","Dalton transactions (Cambridge, England : 2003)","2026","55","4","1901","1906","10.1039/d5dt02027a","","","0.71073","MoKα","","0.0223","0.0223","","","0.0581","0.0581","","","","","","1.42","","","","has coordinates","304752","2026-03-04","11:17:06",""
"7720462","11.7611","0.0004","31.1858","0.0012","12.1671","0.0005","90","","91.854","0.003","90","","4460.3","0.3","150","","150","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C91 H60 B2 F20 Fe4 N2 O12 S4 -","- C91 H60 B2 F20 Fe4 N2 O12 S4 -","- C182 H120 B4 F40 Fe8 N4 O24 S8 -","2","0.5","","Bennour, Ines; Monnot, Victor; Schollhammer, Philippe; Chatelain, Lucile","Design of boron-decorated bimetallic iron complexes related to the active site of [FeFe]-hydrogenases and reactivity with hydride donors.","Dalton transactions (Cambridge, England : 2003)","2026","55","4","1915","1922","10.1039/d5dt02885j","","x-ray","0.71073","MoKα","","0.0673","0.0479","","","0.1097","0.1282","","","","","","1.06","","","","has coordinates,has disorder","304753","2026-03-04","11:17:58",""
"7720463","17.3141","0.0007","26.8437","0.0012","13.3182","0.0005","90","","95.886","0.004","90","","6157.3","0.4","150","","150","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C58 H34 B2 F10 Fe4 O12 S4 -","- C58 H34 B2 F10 Fe4 O12 S4 -","- C232 H136 B8 F40 Fe16 O48 S16 -","4","0.5","","Bennour, Ines; Monnot, Victor; Schollhammer, Philippe; Chatelain, Lucile","Design of boron-decorated bimetallic iron complexes related to the active site of [FeFe]-hydrogenases and reactivity with hydride donors.","Dalton transactions (Cambridge, England : 2003)","2026","55","4","1915","1922","10.1039/d5dt02885j","","x-ray","0.71073","MoKα","","0.0533","0.038","","","0.0887","0.1005","","","","","","1.071","","","","has coordinates","304753","2026-03-04","11:18:00",""
"7720464","9.5053","0.0003","9.6893","0.0003","21.8776","0.0007","90","","101.887","0.003","90","","1971.71","0.11","170","","170","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 Fe2 O5 P S2 -","- C16 H15 Fe2 O5 P S2 -","- C64 H60 Fe8 O20 P4 S8 -","4","1","","Bennour, Ines; Monnot, Victor; Schollhammer, Philippe; Chatelain, Lucile","Design of boron-decorated bimetallic iron complexes related to the active site of [FeFe]-hydrogenases and reactivity with hydride donors.","Dalton transactions (Cambridge, England : 2003)","2026","55","4","1915","1922","10.1039/d5dt02885j","","x-ray","0.71073","MoKα","","0.0408","0.0344","","","0.0871","0.0913","","","","","","1.125","","","","has coordinates","304753","2026-03-04","11:18:00",""
"7720465","9.4643","0.0009","19.6751","0.0016","11.7454","0.001","90","","106.553","0.01","90","","2096.5","0.3","150","","150","","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C38 H32 B F10 Fe2 Na O9 S2 -","- C38 H32 B F10 Fe2 Na O9 S2 -","- C76 H64 B2 F20 Fe4 Na2 O18 S4 -","2","1","","Bennour, Ines; Monnot, Victor; Schollhammer, Philippe; Chatelain, Lucile","Design of boron-decorated bimetallic iron complexes related to the active site of [FeFe]-hydrogenases and reactivity with hydride donors.","Dalton transactions (Cambridge, England : 2003)","2026","55","4","1915","1922","10.1039/d5dt02885j","","x-ray","0.71073","MoKα","","0.1412","0.1345","","","0.3651","0.3701","","","","","","1.039","","","","has coordinates","304753","2026-03-04","11:18:01",""
"7720466","10.4654","0.0002","14.8091","0.0002","16.8078","0.0003","74.785","0.002","81.086","0.001","80.497","0.001","2462.01","0.08","100.01","0.1","100.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C29 H34 N2 O -","- C29 H34 N2 O -","- C116 H136 N8 O4 -","4","2","","Gong, Yi; Shibata, Kaname; Michiue, Kenji; Gbertyo, Joseph; Rais, Zaid; Elsegood, Mark R. J.; Prior, Timothy J.; Redshaw, Carl","Phenoxybis(imine) complexes of vanadium: structure, ethylene polymerization, and ring opening polymerization of ε-caprolactone.","Dalton transactions (Cambridge, England : 2003)","2026","55","4","1866","1881","10.1039/d5dt02846a","","x-ray","1.54184","CuKα","","0.0543","0.0461","","","0.1233","0.1299","","","","","","1.039","","","","has coordinates","304754","2026-03-04","11:19:10",""
"7720467","11.4085","0.0003","13.1317","0.0004","17.479","0.0004","78.084","0.002","86.776","0.002","89.036","0.003","2558.06","0.12","100","2","100.15","","","","","","","","","7","P -1","-P 1","2","","","","- C50 H41 F4 I4 N5 O3 V -","- C50 H41 F4 I4 N5 O3 V -","- C100 H82 F8 I8 N10 O6 V2 -","2","1","","Gong, Yi; Shibata, Kaname; Michiue, Kenji; Gbertyo, Joseph; Rais, Zaid; Elsegood, Mark R. J.; Prior, Timothy J.; Redshaw, Carl","Phenoxybis(imine) complexes of vanadium: structure, ethylene polymerization, and ring opening polymerization of ε-caprolactone.","Dalton transactions (Cambridge, England : 2003)","2026","55","4","1866","1881","10.1039/d5dt02846a","","","1.54178","CuKα","","0.0682","0.0572","","","0.1508","0.1586","","","","","","1.048","","","","has coordinates","304754","2026-03-04","11:19:10",""
"7720468","21.1845","0.0007","5.0363","0.0001","19.2407","0.0007","90","","116.97","0.004","90","","1829.56","0.12","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H8 F10 N2 O -","- C21 H8 F10 N2 O -","- C84 H32 F40 N8 O4 -","4","1","","Gong, Yi; Shibata, Kaname; Michiue, Kenji; Gbertyo, Joseph; Rais, Zaid; Elsegood, Mark R. J.; Prior, Timothy J.; Redshaw, Carl","Phenoxybis(imine) complexes of vanadium: structure, ethylene polymerization, and ring opening polymerization of ε-caprolactone.","Dalton transactions (Cambridge, England : 2003)","2026","55","4","1866","1881","10.1039/d5dt02846a","","x-ray","1.54178","CuKα","","0.0475","0.0409","","","0.1159","0.1215","","","","","","1.058","","","","has coordinates","304754","2026-03-04","11:19:10",""
"7720469","9.2637","0.0005","32.1121","0.0019","10.5093","0.0006","90","","104.641","0.001","90","","3024.8","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C66 H82 N4 O3 V -","- C66 H82 N4 O3 V -","- C132 H164 N8 O6 V2 -","2","0.5","","Gong, Yi; Shibata, Kaname; Michiue, Kenji; Gbertyo, Joseph; Rais, Zaid; Elsegood, Mark R. J.; Prior, Timothy J.; Redshaw, Carl","Phenoxybis(imine) complexes of vanadium: structure, ethylene polymerization, and ring opening polymerization of ε-caprolactone.","Dalton transactions (Cambridge, England : 2003)","2026","55","4","1866","1881","10.1039/d5dt02846a","","","0.71073","MoKα","","0.13","0.1135","","","0.2462","0.2562","","","","","","1.209","","","","has coordinates,has disorder","304754","2026-03-04","11:19:10",""
"7720470","8.3986","0.0001","22.0578","0.0003","11.608","0.0001","90","","96.202","0.001","90","","2137.85","0.04","99.99","0.1","99.99","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H50 N4 O3 V -","- C50 H50 N4 O3 V -","- C100 H100 N8 O6 V2 -","2","0.5","","Gong, Yi; Shibata, Kaname; Michiue, Kenji; Gbertyo, Joseph; Rais, Zaid; Elsegood, Mark R. J.; Prior, Timothy J.; Redshaw, Carl","Phenoxybis(imine) complexes of vanadium: structure, ethylene polymerization, and ring opening polymerization of ε-caprolactone.","Dalton transactions (Cambridge, England : 2003)","2026","55","4","1866","1881","10.1039/d5dt02846a","","x-ray","1.54178","CuKα","","0.0386","0.0359","","","0.1028","0.1046","","","","","","1.043","","","","has coordinates,has disorder","304754","2026-03-04","11:19:10",""
"7720471","34.8959","0.0007","10.6717","0.0003","30.5882","0.0007","90","","109.452","0.002","90","","10740.8","0.5","100","0.1","100","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C59 H50 F12 N4 O3 V -","- C59 H50 F12 N4 O3 V -","- C472 H400 F96 N32 O24 V8 -","8","1","","Gong, Yi; Shibata, Kaname; Michiue, Kenji; Gbertyo, Joseph; Rais, Zaid; Elsegood, Mark R. J.; Prior, Timothy J.; Redshaw, Carl","Phenoxybis(imine) complexes of vanadium: structure, ethylene polymerization, and ring opening polymerization of ε-caprolactone.","Dalton transactions (Cambridge, England : 2003)","2026","55","4","1866","1881","10.1039/d5dt02846a","","x-ray","1.54184","CuKα","","0.0607","0.0522","","","0.1446","0.1506","","","","","","1.066","","","","has coordinates","304754","2026-03-04","11:19:10",""
"7720472","12.19953","0.00012","14.842","0.0002","26.2894","0.0002","93.4728","0.0009","99.0009","0.0008","106.458","0.001","4481.12","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H33 F12 N5 O3 V -","- C48 H33 F12 N5 O3 V -","- C192 H132 F48 N20 O12 V4 -","4","2","","Gong, Yi; Shibata, Kaname; Michiue, Kenji; Gbertyo, Joseph; Rais, Zaid; Elsegood, Mark R. J.; Prior, Timothy J.; Redshaw, Carl","Phenoxybis(imine) complexes of vanadium: structure, ethylene polymerization, and ring opening polymerization of ε-caprolactone.","Dalton transactions (Cambridge, England : 2003)","2026","55","4","1866","1881","10.1039/d5dt02846a","","","1.54178","CuKα","","0.0717","0.069","","","0.2003","0.2021","","","","","","1.173","","","","has coordinates","304754","2026-03-04","11:19:10",""
"7720473","24.7568","0.0017","23.5695","0.0018","28.5975","0.0019","90","","108.311","0.002","90","","15841.9","1.9","253","2","253","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C144 H160 Cl12 Ir2 N12 -","- C138 H148 Ir2 N12 -","- C552 H592 Ir8 N48 -","4","0.5","","Ni, Guowei; Pan, Yi; Zhou, Muyu; Sang, Yufeng; Yiu, Shek-Man; Lau, Kai Chung; Chi, Yun","Janus-type diiridium complexes with functional carbene cyclometalates for high-energy phosphorescence.","Dalton transactions (Cambridge, England : 2003)","2026","55","2","904","916","10.1039/d5dt02691a","","x-ray","1.54178","CuKα","","0.0348","0.0318","","","0.0881","0.0902","","","","","","1.059","","","","has coordinates,has disorder","304755","2026-03-04","11:20:37",""
"7720474","33.7477","0.0018","12.4772","0.0007","33.9723","0.0018","90","","95.452","0.003","90","","14240.2","1.3","213","2","213","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C150 H172 Cl8 Ir2 N12 -","- C146 H164 Ir2 N12 -","- C584 H656 Ir8 N48 -","4","1","","Ni, Guowei; Pan, Yi; Zhou, Muyu; Sang, Yufeng; Yiu, Shek-Man; Lau, Kai Chung; Chi, Yun","Janus-type diiridium complexes with functional carbene cyclometalates for high-energy phosphorescence.","Dalton transactions (Cambridge, England : 2003)","2026","55","2","904","916","10.1039/d5dt02691a","","x-ray","1.54178","CuKα","","0.1028","0.0692","","","0.1755","0.1951","","","","","","1.07","","","","has coordinates,has disorder","304755","2026-03-04","11:20:38",""
"7720475","13.1678","0.0004","45.4005","0.0013","11.906","0.0003","90","","107.72","0.002","90","","6780","0.3","213","2","213","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C77 H87 Cl2 Ir N6 -","- C77 H87 Cl2 Ir N6 -","- C308 H348 Cl8 Ir4 N24 -","4","1","","Ni, Guowei; Pan, Yi; Zhou, Muyu; Sang, Yufeng; Yiu, Shek-Man; Lau, Kai Chung; Chi, Yun","Janus-type diiridium complexes with functional carbene cyclometalates for high-energy phosphorescence.","Dalton transactions (Cambridge, England : 2003)","2026","55","2","904","916","10.1039/d5dt02691a","","x-ray","1.54178","CuKα","","0.0632","0.0488","","","0.1243","0.1338","","","","","","1.045","","","","has coordinates,has disorder","304755","2026-03-04","11:20:38",""
"7720476","39.8974","0.0009","14.5469","0.0003","22.9823","0.0005","90","","90","","90","","13338.5","0.5","193","2","193","2","","","","","","","","5","C c c 2","C 2 -2c","37","","","","- C131.5 H144 Cl Ir2 N13 -","- C131 H143 Ir2 N13 -","- C524 H572 Ir8 N52 -","4","0.5","","Ni, Guowei; Pan, Yi; Zhou, Muyu; Sang, Yufeng; Yiu, Shek-Man; Lau, Kai Chung; Chi, Yun","Janus-type diiridium complexes with functional carbene cyclometalates for high-energy phosphorescence.","Dalton transactions (Cambridge, England : 2003)","2026","55","2","904","916","10.1039/d5dt02691a","","x-ray","1.54178","CuKα","","0.0275","0.026","","","0.0652","0.0661","","","","","","1.087","","","","has coordinates,has disorder","304755","2026-03-04","11:20:38",""
"7720477","24.524","0.0007","15.8085","0.0005","7.1593","0.0002","90","","90","","90","","2775.57","0.14","100","","100","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C27 H23 Cu N3 O6 S2 -","- C27 H23 Cu N3 O6 S2 -","- C108 H92 Cu4 N12 O24 S8 -","4","1","","Gómez-Paz, Olaya; Carballo, Rosa; Lago, Ana B.; Vázquez-López, Ezequiel M; Covelo, Berta","Structural diversity in Zn(II)/Cu(II) complexes with salicylic/acetylsalicylic acids and bis(4-pyridylthio)methane: coordination polymers, one organic cocrystal, and one organic salt.","Dalton transactions (Cambridge, England : 2003)","2026","55","2","724","734","10.1039/d5dt02303c","","","0.71073","MoKα","","0.0546","0.038","","","0.0704","0.0749","","","","","","1.029","","","","has coordinates","304756","2026-03-04","11:22:01",""
"7720478","12.6079","0.0003","11.9634","0.0003","16.0231","0.0004","90","","90.59","0.001","90","","2416.69","0.1","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H20 N2 O6 S2 Zn -","- C25 H20 N2 O6 S2 Zn -","- C100 H80 N8 O24 S8 Zn4 -","4","1","","Gómez-Paz, Olaya; Carballo, Rosa; Lago, Ana B.; Vázquez-López, Ezequiel M; Covelo, Berta","Structural diversity in Zn(II)/Cu(II) complexes with salicylic/acetylsalicylic acids and bis(4-pyridylthio)methane: coordination polymers, one organic cocrystal, and one organic salt.","Dalton transactions (Cambridge, England : 2003)","2026","55","2","724","734","10.1039/d5dt02303c","","","0.71073","MoKα","","0.0256","0.023","","","0.0565","0.0578","","","","","","1.039","","","","has coordinates","304756","2026-03-04","11:22:01",""
"7720479","19.0306","0.0005","13.8281","0.0003","20.5871","0.0005","90","","115.568","0.001","90","","4887.1","0.2","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H21 N2 O6.5 S2 Zn -","- C25 H21 N2 O6.5 S2 Zn -","- C200 H168 N16 O52 S16 Zn8 -","8","2","","Gómez-Paz, Olaya; Carballo, Rosa; Lago, Ana B.; Vázquez-López, Ezequiel M; Covelo, Berta","Structural diversity in Zn(II)/Cu(II) complexes with salicylic/acetylsalicylic acids and bis(4-pyridylthio)methane: coordination polymers, one organic cocrystal, and one organic salt.","Dalton transactions (Cambridge, England : 2003)","2026","55","2","724","734","10.1039/d5dt02303c","","","0.71073","MoKα","","0.036","0.0289","","","0.0691","0.073","","","","","","1.024","","","","has coordinates","304756","2026-03-04","11:22:01",""
"7720480","17.1409","0.0016","24.162","0.002","13.1999","0.0012","90","","92.494","0.003","90","","5461.7","0.8","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C100 H82 Cu5 N8 O26 S8 -","- C100 H82 Cu5 N8 O26 S8 -","- C200 H164 Cu10 N16 O52 S16 -","2","0.5","","Gómez-Paz, Olaya; Carballo, Rosa; Lago, Ana B.; Vázquez-López, Ezequiel M; Covelo, Berta","Structural diversity in Zn(II)/Cu(II) complexes with salicylic/acetylsalicylic acids and bis(4-pyridylthio)methane: coordination polymers, one organic cocrystal, and one organic salt.","Dalton transactions (Cambridge, England : 2003)","2026","55","2","724","734","10.1039/d5dt02303c","","","0.71073","MoKα","","0.1373","0.0803","","","0.2068","0.2458","","","","","","1.02","","","","has coordinates","304756","2026-03-04","11:22:01",""
"7720481","4.0567","0.0003","22.3227","0.0013","25.5311","0.0016","90","","90","","90","","2312","0.3","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H22 N2 O6 S2 -","- C25 H22 N2 O6 S2 -","- C100 H88 N8 O24 S8 -","4","1","","Gómez-Paz, Olaya; Carballo, Rosa; Lago, Ana B.; Vázquez-López, Ezequiel M; Covelo, Berta","Structural diversity in Zn(II)/Cu(II) complexes with salicylic/acetylsalicylic acids and bis(4-pyridylthio)methane: coordination polymers, one organic cocrystal, and one organic salt.","Dalton transactions (Cambridge, England : 2003)","2026","55","2","724","734","10.1039/d5dt02303c","","","0.71073","MoKα","","0.031","0.0275","","","0.0655","0.0674","","","","","","1.033","","","","has coordinates,has disorder","304756","2026-03-04","11:22:01",""
"7720482","12.6042","0.0008","7.2044","0.0005","19.3267","0.0012","90","","103.951","0.002","90","","1703.21","0.19","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 N2 O3 S2 -","- C18 H16 N2 O3 S2 -","- C72 H64 N8 O12 S8 -","4","1","","Gómez-Paz, Olaya; Carballo, Rosa; Lago, Ana B.; Vázquez-López, Ezequiel M; Covelo, Berta","Structural diversity in Zn(II)/Cu(II) complexes with salicylic/acetylsalicylic acids and bis(4-pyridylthio)methane: coordination polymers, one organic cocrystal, and one organic salt.","Dalton transactions (Cambridge, England : 2003)","2026","55","2","724","734","10.1039/d5dt02303c","","","0.71073","MoKα","","0.0378","0.0315","","","0.076","0.079","","","","","","1.068","","","","has coordinates","304756","2026-03-04","11:22:01",""
"7720483","12.1962","0.0004","13.8436","0.0004","15.1045","0.0005","90","","90","","90","","2550.23","0.14","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H20 N2 O6 S2 Zn -","- C25 H20 N2 O6 S2 Zn -","- C100 H80 N8 O24 S8 Zn4 -","4","1","","Gómez-Paz, Olaya; Carballo, Rosa; Lago, Ana B.; Vázquez-López, Ezequiel M; Covelo, Berta","Structural diversity in Zn(II)/Cu(II) complexes with salicylic/acetylsalicylic acids and bis(4-pyridylthio)methane: coordination polymers, one organic cocrystal, and one organic salt.","Dalton transactions (Cambridge, England : 2003)","2026","55","2","724","734","10.1039/d5dt02303c","","","0.71073","MoKα","","0.0209","0.0198","","","0.0452","0.0457","","","","","","1.035","","","","has coordinates","304756","2026-03-04","11:22:01",""
"7720484","11.7291","0.0013","11.6093","0.0012","17.996","0.002","90","","100.984","0.005","90","","2405.6","0.5","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H20 N2 O6 S2 Zn -","- C25 H20 N2 O6 S2 Zn -","- C100 H80 N8 O24 S8 Zn4 -","4","1","","Gómez-Paz, Olaya; Carballo, Rosa; Lago, Ana B.; Vázquez-López, Ezequiel M; Covelo, Berta","Structural diversity in Zn(II)/Cu(II) complexes with salicylic/acetylsalicylic acids and bis(4-pyridylthio)methane: coordination polymers, one organic cocrystal, and one organic salt.","Dalton transactions (Cambridge, England : 2003)","2026","55","2","724","734","10.1039/d5dt02303c","","","0.71073","MoKα","","0.0359","0.0295","","","0.0693","0.0724","","","","","","1.031","","","","has coordinates","304756","2026-03-04","11:22:01",""
"7720485","10.3233","0.0009","13.6855","0.0012","18.734","0.0017","92.024","0.004","101.552","0.003","97.723","0.003","2564.3","0.4","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C43 H51 Cu2 N7 O13 S4 -","- C37 H38 Cu2 N4 O11 S4 -","- C74 H76 Cu4 N8 O22 S8 -","2","1","","Gómez-Paz, Olaya; Carballo, Rosa; Lago, Ana B.; Vázquez-López, Ezequiel M; Covelo, Berta","Structural diversity in Zn(II)/Cu(II) complexes with salicylic/acetylsalicylic acids and bis(4-pyridylthio)methane: coordination polymers, one organic cocrystal, and one organic salt.","Dalton transactions (Cambridge, England : 2003)","2026","55","2","724","734","10.1039/d5dt02303c","","","0.71073","MoKα","","0.0649","0.0617","","","0.163","0.1653","","","","","","1.062","","","","has coordinates","304756","2026-03-04","11:22:01",""
"7720486","13.7783","0.0014","5.6132","0.0007","20.88","0.003","90","","94.922","0.003","90","","1608.9","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H32 Mn N2 O4 P2 -","- C36 H32 Mn N2 O4 P2 -","- C72 H64 Mn2 N4 O8 P4 -","2","0.5","","Pattnaik, Archana Kumari; Behera, Gobinda Chandra","From discrete to polymeric assemblies: exploring supramolecular structural diversity in transition metal phosphinates with N-donor ligands.","Dalton transactions (Cambridge, England : 2003)","2026","55","2","694","709","10.1039/d5dt01622c","","","0.71073","MoKα","","0.0379","0.0328","","","0.0944","0.099","","","","","","1.038","","","","has coordinates","304757","2026-03-04","11:23:22",""
"7720487","25.424","0.003","11.3058","0.0014","25.572","0.003","90","","113.557","0.004","90","","6737.8","1.4","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C34 H29 Cl Cu2 N2 O9 P2 -","- C34 H29 Cl Cu2 N2 O9 P2 -","- C272 H232 Cl8 Cu16 N16 O72 P16 -","8","1","","Pattnaik, Archana Kumari; Behera, Gobinda Chandra","From discrete to polymeric assemblies: exploring supramolecular structural diversity in transition metal phosphinates with N-donor ligands.","Dalton transactions (Cambridge, England : 2003)","2026","55","2","694","709","10.1039/d5dt01622c","","","0.71073","MoKα","","0.0476","0.0335","","","0.0793","0.0878","","","","","","1.036","","","","has coordinates","304757","2026-03-04","11:23:22",""
"7720488","26.447","0.005","11.211","0.002","11.2987","0.0016","90","","92.771","0.009","90","","3346.1","1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H32 N2 Ni O6 P2 -","- C34 H32 N2 Ni O6 P2 -","- C136 H128 N8 Ni4 O24 P8 -","4","0.5","","Pattnaik, Archana Kumari; Behera, Gobinda Chandra","From discrete to polymeric assemblies: exploring supramolecular structural diversity in transition metal phosphinates with N-donor ligands.","Dalton transactions (Cambridge, England : 2003)","2026","55","2","694","709","10.1039/d5dt01622c","","","0.71073","MoKα","","0.0573","0.039","","","0.0974","0.1091","","","","","","1.039","","","","has coordinates","304757","2026-03-04","11:23:22",""
"7720489","11.9816","0.0017","12.7736","0.0017","13.4767","0.0017","112.507","0.004","91.947","0.005","115.772","0.004","1665.4","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H34 Co N2 O5 P2 -","- C36 H34 Co N2 O5 P2 -","- C72 H68 Co2 N4 O10 P4 -","2","1","","Pattnaik, Archana Kumari; Behera, Gobinda Chandra","From discrete to polymeric assemblies: exploring supramolecular structural diversity in transition metal phosphinates with N-donor ligands.","Dalton transactions (Cambridge, England : 2003)","2026","55","2","694","709","10.1039/d5dt01622c","","","0.71073","MoKα","","0.072","0.0434","","","0.1053","0.1219","","","","","","1.021","","","","has coordinates","304757","2026-03-04","11:23:22",""
"7720490","11.4798","0.0013","27.409","0.004","11.5762","0.0014","90","","119.306","0.004","90","","3176.3","0.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H34 Co N2 O7 P2 -","- C34 H34 Co N2 O7 P2 -","- C136 H136 Co4 N8 O28 P8 -","4","1","","Pattnaik, Archana Kumari; Behera, Gobinda Chandra","From discrete to polymeric assemblies: exploring supramolecular structural diversity in transition metal phosphinates with N-donor ligands.","Dalton transactions (Cambridge, England : 2003)","2026","55","2","694","709","10.1039/d5dt01622c","","","0.71073","MoKα","","0.1013","0.05","","","0.0966","0.1226","","","","","","1.112","","","","has coordinates","304757","2026-03-04","11:23:22",""
"7720491","13.2632","0.0014","16.5624","0.0018","11.6242","0.0012","90","","104.254","0.003","90","","2474.9","0.5","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 Cl Cu N2 O6 P -","- C24 H22 Cl Cu N2 O6 P -","- C96 H88 Cl4 Cu4 N8 O24 P4 -","4","1","","Pattnaik, Archana Kumari; Behera, Gobinda Chandra","From discrete to polymeric assemblies: exploring supramolecular structural diversity in transition metal phosphinates with N-donor ligands.","Dalton transactions (Cambridge, England : 2003)","2026","55","2","694","709","10.1039/d5dt01622c","","","0.71073","MoKα","","0.0596","0.0443","","","0.1129","0.1228","","","","","","1.036","","","","has coordinates","304757","2026-03-04","11:23:22",""
"7720492","21.733","0.003","9.2303","0.001","23.419","0.003","90","","90","","90","","4697.9","1","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C24 H20 Cl Cu N2 O7 P -","- C24 H20 Cl Cu N2 O7 P -","- C192 H160 Cl8 Cu8 N16 O56 P8 -","8","1","","Pattnaik, Archana Kumari; Behera, Gobinda Chandra","From discrete to polymeric assemblies: exploring supramolecular structural diversity in transition metal phosphinates with N-donor ligands.","Dalton transactions (Cambridge, England : 2003)","2026","55","2","694","709","10.1039/d5dt01622c","","","0.71073","MoKα","","0.0582","0.037","","","0.0903","0.105","","","","","","1.06","","","","has coordinates","304757","2026-03-04","11:23:22",""
"7720493","11.3016","0.0011","11.3016","0.0011","33.869","0.005","90","","90","","90","","4326","0.9","100","2","100","2","","","","","","","","6","P 43 2 2","P 4cw 2c","95","","","","- C44 H40 N5 Ni O12 P2 -","- C44 H40 N5 Ni O12 P2 -","- C176 H160 N20 Ni4 O48 P8 -","4","0.5","","Pattnaik, Archana Kumari; Behera, Gobinda Chandra","From discrete to polymeric assemblies: exploring supramolecular structural diversity in transition metal phosphinates with N-donor ligands.","Dalton transactions (Cambridge, England : 2003)","2026","55","2","694","709","10.1039/d5dt01622c","","","0.71073","MoKα","","0.0677","0.0468","","","0.1153","0.1286","","","","","","1.081","","","","has coordinates","304757","2026-03-04","11:23:22",""
"7720494","12.5496","0.0015","12.924","0.0017","14.449","0.002","90","","104.083","0.004","90","","2273.1","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H36 Co2 N6 O10 P2 -","- C48 H36 Co2 N6 O10 P2 -","- C96 H72 Co4 N12 O20 P4 -","2","0.5","","Pattnaik, Archana Kumari; Behera, Gobinda Chandra","From discrete to polymeric assemblies: exploring supramolecular structural diversity in transition metal phosphinates with N-donor ligands.","Dalton transactions (Cambridge, England : 2003)","2026","55","2","694","709","10.1039/d5dt01622c","","","0.71073","MoKα","","0.0642","0.0393","","","0.1023","0.122","","","","","","1.054","","","","has coordinates","304757","2026-03-04","11:23:22",""
"7720495","13.5255","0.0016","13.5524","0.0015","14.8154","0.0016","98.577","0.004","104.184","0.004","119.379","0.003","2174.6","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C84 H98 Co2 N6 O22 P4 -","- C84 H98 Co2 N6 O22 P4 -","- C84 H98 Co2 N6 O22 P4 -","1","0.5","","Pattnaik, Archana Kumari; Behera, Gobinda Chandra","From discrete to polymeric assemblies: exploring supramolecular structural diversity in transition metal phosphinates with N-donor ligands.","Dalton transactions (Cambridge, England : 2003)","2026","55","2","694","709","10.1039/d5dt01622c","","","0.71073","MoKα","","0.0401","0.034","","","0.0943","0.0995","","","","","","1.025","","","","has coordinates","304757","2026-03-04","11:23:22",""
"7720496","22.865","0.002","11.7446","0.0008","32.081","0.002","90","","100.258","0.004","90","","8477.3","1.1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C46 H38 Cd N2 O6 P3 -","- C46 H38 Cd N2 O6 P3 -","- C368 H304 Cd8 N16 O48 P24 -","8","1","","Pattnaik, Archana Kumari; Behera, Gobinda Chandra","From discrete to polymeric assemblies: exploring supramolecular structural diversity in transition metal phosphinates with N-donor ligands.","Dalton transactions (Cambridge, England : 2003)","2026","55","2","694","709","10.1039/d5dt01622c","","","0.71073","MoKα","","0.0591","0.0428","","","0.1197","0.131","","","","","","0.993","","","","has coordinates","304757","2026-03-04","11:23:23",""
"7720497","13.7192","0.0012","13.7192","0.0012","45.094","0.004","90","","90","","90","","8487.4","1.3","150","2","150","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C32.65 H43.13 N7.55 Ni2 O13.55 -","- C32.68 H43.2 N7.56 Ni2 O13.56 -","- C261.44 H345.6 N60.48 Ni16 O108.48 -","8","1","","García-Rojas, Elena; Montes-Andrés, Helena; Tapiador, Jesús; Martos, Carmen; Salcedo-Abraira, Pablo; Choquesillo-Lazarte, Duane; Orcajo, Gisela; Leo, Pedro","Dual-function Ni-based MOF for hydrogen storage and CO<sub>2</sub> to carbonate cyclic catalysis.","Dalton transactions (Cambridge, England : 2003)","2026","55","2","761","774","10.1039/d5dt02218e","","","0.71073","MoKα","","0.171","0.1259","","","0.2402","0.2548","","","","","","1.22","","","","has coordinates,has disorder","304758","2026-03-04","11:24:09",""
"7720498","12.2735","0.0001","10.2813","0.0001","27.6692","0.0002","90","","91.522","0.001","90","","3490.28","0.05","100","0.4","100","0.4","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H51 Ir3 N Nb -","- C32 H51 Ir3 N Nb -","- C128 H204 Ir12 N4 Nb4 -","4","1","","Dubrawski, Zachary; Aïssiou, Samy; Jeanneau, Erwann; Thieuleux, Chloé; Camp, Clément","Visible-light driven H<sub>2</sub> reductive elimination unlocks reactivity in polyhydrido niobium iridium clusters.","Dalton transactions (Cambridge, England : 2003)","2026","55","2","620","629","10.1039/d5dt02432c","","x-ray","0.71073","MoKα","","0.0249","0.022","","","0.0508","0.0516","","","","","","1.106","","","","has coordinates","304760","2026-03-04","11:26:10",""
"7720499","10.1262","0.0003","11.8871","0.0003","23.4515","0.0006","90","","99.588","0.002","90","","2783.45","0.13","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H42 Ir2 N2 Nb -","- C24 H42 Ir2 N2 Nb -","- C96 H168 Ir8 N8 Nb4 -","4","1","","Dubrawski, Zachary; Aïssiou, Samy; Jeanneau, Erwann; Thieuleux, Chloé; Camp, Clément","Visible-light driven H<sub>2</sub> reductive elimination unlocks reactivity in polyhydrido niobium iridium clusters.","Dalton transactions (Cambridge, England : 2003)","2026","55","2","620","629","10.1039/d5dt02432c","","x-ray","0.71073","MoKα","","0.054","0.0396","","","0.0822","0.086","","","","","","1.047","","","","has coordinates","304760","2026-03-04","11:26:17",""
"7720500","18.6279","0.0001","14.2373","0.0001","19.7435","0.0001","90","","104.686","0.001","90","","5065.13","0.06","100.02","0.1","100.02","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C53 H70 Ir3 Nb O -","- C53 H70 Ir3 Nb O -","- C212 H280 Ir12 Nb4 O4 -","4","1","","Dubrawski, Zachary; Aïssiou, Samy; Jeanneau, Erwann; Thieuleux, Chloé; Camp, Clément","Visible-light driven H<sub>2</sub> reductive elimination unlocks reactivity in polyhydrido niobium iridium clusters.","Dalton transactions (Cambridge, England : 2003)","2026","55","2","620","629","10.1039/d5dt02432c","","x-ray","1.54184","CuKα","","0.0255","0.025","","","0.069","0.0694","","","","","","1.097","","","","has coordinates","304760","2026-03-04","11:26:17",""
"7720501","11.1224","0.0003","11.6146","0.0003","16.8916","0.0004","73.274","0.002","86.167","0.002","79.895","0.002","2057.05","0.09","100","0.11","100","0.11","","","","","","","","6","P -1","-P 1","2","","","","- C38 H63 Ir3 N Nb O2 -","- C38 H63 Ir3 N Nb O2 -","- C76 H126 Ir6 N2 Nb2 O4 -","2","1","","Dubrawski, Zachary; Aïssiou, Samy; Jeanneau, Erwann; Thieuleux, Chloé; Camp, Clément","Visible-light driven H<sub>2</sub> reductive elimination unlocks reactivity in polyhydrido niobium iridium clusters.","Dalton transactions (Cambridge, England : 2003)","2026","55","2","620","629","10.1039/d5dt02432c","","x-ray","0.71073","MoKα","","0.0696","0.05","","","0.1146","0.1214","","","","","","1.144","","","","has coordinates","304760","2026-03-04","11:26:17",""
"7720502","12.5491","0.0001","13.8785","0.0001","20.4161","0.0001","90","","90","","90","","3555.72","0.04","100","0.2","100","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H51 Ir3 N Nb -","- C32 H51 Ir3 N Nb -","- C128 H204 Ir12 N4 Nb4 -","4","1","","Dubrawski, Zachary; Aïssiou, Samy; Jeanneau, Erwann; Thieuleux, Chloé; Camp, Clément","Visible-light driven H<sub>2</sub> reductive elimination unlocks reactivity in polyhydrido niobium iridium clusters.","Dalton transactions (Cambridge, England : 2003)","2026","55","2","620","629","10.1039/d5dt02432c","","x-ray","1.54184","CuKα","","0.0218","0.0217","","","0.0576","0.0577","","","","","","1.049","","","","has coordinates","304760","2026-03-04","11:26:17",""
"7720503","12.7793","0.0002","24.674","0.0003","13.8521","0.0002","90","","101.491","0.001","90","","4280.25","0.11","100.02","0.12","100.02","0.12","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H60 Ir4 Nb -","- C40 H60 Ir4 Nb -","- C160 H240 Ir16 Nb4 -","4","1","","Dubrawski, Zachary; Aïssiou, Samy; Jeanneau, Erwann; Thieuleux, Chloé; Camp, Clément","Visible-light driven H<sub>2</sub> reductive elimination unlocks reactivity in polyhydrido niobium iridium clusters.","Dalton transactions (Cambridge, England : 2003)","2026","55","2","620","629","10.1039/d5dt02432c","","x-ray","1.54184","CuKα","","0.0639","0.0597","","","0.1495","0.1525","","","","","","1.069","","","","has coordinates,has disorder","304760","2026-03-04","11:26:17",""
"7720504","16.3515","0.0003","12.1117","0.0002","26.2377","0.0005","90","","106.515","0.002","90","","4981.86","0.16","100","0.3","100","0.3","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C53 H70 Ir3 Nb O -","- C53 H70 Ir3 Nb O -","- C212 H280 Ir12 Nb4 O4 -","4","1","","Dubrawski, Zachary; Aïssiou, Samy; Jeanneau, Erwann; Thieuleux, Chloé; Camp, Clément","Visible-light driven H<sub>2</sub> reductive elimination unlocks reactivity in polyhydrido niobium iridium clusters.","Dalton transactions (Cambridge, England : 2003)","2026","55","2","620","629","10.1039/d5dt02432c","","x-ray","0.71073","MoKα","","0.0798","0.0646","","","0.1315","0.1377","","","","","","1.0287","","","","has coordinates,has disorder","304760","2026-03-04","11:26:17",""
"7720505","9.2162","0.0015","5.5496","0.001","13.422","0.003","90","","90","","90","","686.5","0.2","298","","298","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Ba Br2 Cd O3 Se -","- Ba Br2 Cd O3 Se -","- Ba4 Br8 Cd4 O12 Se4 -","4","0.5","","Zeng, Shenghong; Maimaiti, Mayinuer; Wu, Jinche; Han, Tingwen; Chai, Hui; Zhang, Fangfang; Zhang, Min","Tuning birefringence in alkaline-earth metal oxyhalides through diverse mixed-cation coordination architectures.","Dalton transactions (Cambridge, England : 2003)","2026","55","2","611","619","10.1039/d5dt02624e","","","0.71073","MoKα","","0.0175","0.0165","","","0.0363","0.0367","","","","","","1.158","","","","has coordinates","304761","2026-03-04","11:26:59",""
"7720506","6.7782","0.0008","13.1189","0.0015","5.5337","0.0007","90","","90","","90","","492.07","0.1","298","","298","","","","","","","","","5","P n n m","-P 2 2n","58","","","","- Ba2 Cd Cl2 O6 Se2 -","- Ba2 Cd Cl2 O6 Se2 -","- Ba4 Cd2 Cl4 O12 Se4 -","2","0.25","","Zeng, Shenghong; Maimaiti, Mayinuer; Wu, Jinche; Han, Tingwen; Chai, Hui; Zhang, Fangfang; Zhang, Min","Tuning birefringence in alkaline-earth metal oxyhalides through diverse mixed-cation coordination architectures.","Dalton transactions (Cambridge, England : 2003)","2026","55","2","611","619","10.1039/d5dt02624e","","","0.71073","MoKα","","0.0221","0.022","","","0.0595","0.0596","","","","","","1.088","","","","has coordinates","304761","2026-03-04","11:26:59",""
"7720507","12.8099","0.0016","12.8099","0.0016","8.3153","0.0015","90","","90","","90","","1364.5","0.3","293","","298","","","","","","","","","4","P 4/n :2","-P 4a","85","","","","- Ba5 Br10 O4 Pb4 -","- Ba5 Br10 O4 Pb4 -","- Ba10 Br20 O8 Pb8 -","2","0.25","","Zeng, Shenghong; Maimaiti, Mayinuer; Wu, Jinche; Han, Tingwen; Chai, Hui; Zhang, Fangfang; Zhang, Min","Tuning birefringence in alkaline-earth metal oxyhalides through diverse mixed-cation coordination architectures.","Dalton transactions (Cambridge, England : 2003)","2026","55","2","611","619","10.1039/d5dt02624e","","","0.71073","MoKα","","0.025","0.0235","","","0.0513","0.0527","","","","","","1.258","","","","has coordinates","304761","2026-03-04","11:26:59",""
"7720508","20.5014","0.0011","10.9874","0.0008","33.168","0.002","90","","90","","90","","7471.3","0.8","100","","100","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C42 H42 Cu N O3 P2 -","- C42 H42 Cu N O3 P2 -","- C336 H336 Cu8 N8 O24 P16 -","8","2","","Hadjikakou, S. K.; Koufou, T. M.; Banti, C. N.; Tsoureas, N.; Raptopoulou, C. P.; Psycharis, V.; Mitsopoulou, C. A.","Chirality-controlled biomolecular recognition in Cu(I) metallodrugs: the first enantiomorphic CuP<sub>2</sub>O<sub>2</sub> systems with dual DNA/LOX activity.","Dalton transactions (Cambridge, England : 2003)","2026","55","9","3687","3702","10.1039/d5dt02906f","","","0.71073","MoKα","","0.0562","0.049","","","0.1093","0.1136","","","","","","1.127","","","","has coordinates,has disorder","304762","2026-03-04","11:37:03",""
"7720509","22.0146","0.0007","10.9051","0.0004","23.8047","0.0007","90","","112.006","0.001","90","","5298.5","0.3","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C63 H63 Cu N O3 P3 -","- C63 H63 Cu N O3 P3 -","- C252 H252 Cu4 N4 O12 P12 -","4","1","","Hadjikakou, S. K.; Koufou, T. M.; Banti, C. N.; Tsoureas, N.; Raptopoulou, C. P.; Psycharis, V.; Mitsopoulou, C. A.","Chirality-controlled biomolecular recognition in Cu(I) metallodrugs: the first enantiomorphic CuP<sub>2</sub>O<sub>2</sub> systems with dual DNA/LOX activity.","Dalton transactions (Cambridge, England : 2003)","2026","55","9","3687","3702","10.1039/d5dt02906f","","","0.71073","MoKα","","0.0538","0.0409","","","0.1042","0.1133","","","","","","1.032","","","","has coordinates,has disorder","304762","2026-03-04","11:37:08",""
"7720510","22.5498","0.0011","11.086","0.0006","23.7143","0.0012","90","","96.69","0.002","90","","5887.9","0.5","160","2","160","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C66 H70.5 Cu N2 O4.25 P3 -","- C66 H70.5 Cu N2 O4.25 P3 -","- C264 H282 Cu4 N8 O17 P12 -","4","1","","Hadjikakou, S. K.; Koufou, T. M.; Banti, C. N.; Tsoureas, N.; Raptopoulou, C. P.; Psycharis, V.; Mitsopoulou, C. A.","Chirality-controlled biomolecular recognition in Cu(I) metallodrugs: the first enantiomorphic CuP<sub>2</sub>O<sub>2</sub> systems with dual DNA/LOX activity.","Dalton transactions (Cambridge, England : 2003)","2026","55","9","3687","3702","10.1039/d5dt02906f","","","0.71073","MoKα","","0.0664","0.0496","","","0.1061","0.1145","","","","","","1.057","","","","has coordinates","304762","2026-03-04","11:37:08",""
"7720511","9.8617","0.0004","17.0838","0.0006","18.6279","0.0007","90","","96.691","0.001","90","","3117","0.2","170","","170","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H20 B11 I7 N2 -","- C13 H20 B11 I7 N2 -","- C52 H80 B44 I28 N8 -","4","1","","Jiang, Chennuo; Chen, Lianyu; Jin, Yujie; Liu, Jiyong; Zhang, Kang; Duttwyler, Simon","Monocarborane-stabilized iodonium salts enable regioselective B12-iodination of [CB<sub>11</sub>H<sub>12</sub>]<sup/>.","Dalton transactions (Cambridge, England : 2003)","2026","55","3","1109","1113","10.1039/d5dt02721g","","x-ray","1.34139","GaKα","","0.0379","0.0359","","","0.0903","0.0915","","","","","","1.063","","","","has coordinates","304763","2026-03-04","11:39:15",""
"7720512","15.3144","0.0008","19.2591","0.0011","32.603","0.0019","92.857","0.002","101.15","0.002","106.677","0.002","8980.7","0.9","170","","170","","","","","","","","","6","P -1","-P 1","2","","","","- C15 H26 B11 Cl6 I N4 -","- C15 H26 B11 Cl6 I N4 -","- C180 H312 B132 Cl72 I12 N48 -","12","6","","Jiang, Chennuo; Chen, Lianyu; Jin, Yujie; Liu, Jiyong; Zhang, Kang; Duttwyler, Simon","Monocarborane-stabilized iodonium salts enable regioselective B12-iodination of [CB<sub>11</sub>H<sub>12</sub>]<sup/>.","Dalton transactions (Cambridge, England : 2003)","2026","55","3","1109","1113","10.1039/d5dt02721g","","x-ray","1.34139","GaKα","","0.1087","0.0705","","","0.1882","0.2123","","","","","","1.07","","","","has coordinates,has disorder","304763","2026-03-04","11:39:16",""
"7720513","7.034","0.0003","16.9143","0.0006","15.5499","0.0005","90","","99.846","0.001","90","","1822.8","0.12","170","","170","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H41 B22 I N4 -","- C22 H41 B22 I N4 -","- C44 H82 B44 I2 N8 -","2","0.5","","Jiang, Chennuo; Chen, Lianyu; Jin, Yujie; Liu, Jiyong; Zhang, Kang; Duttwyler, Simon","Monocarborane-stabilized iodonium salts enable regioselective B12-iodination of [CB<sub>11</sub>H<sub>12</sub>]<sup/>.","Dalton transactions (Cambridge, England : 2003)","2026","55","3","1109","1113","10.1039/d5dt02721g","","","1.34139","GaKα","","0.0575","0.0493","","","0.1324","0.1364","","","","","","1.079","","","","has coordinates,has disorder","304763","2026-03-04","11:39:16",""
"7720514","10.2469","0.0006","14.9143","0.0008","24.6138","0.0012","90","","93.431","0.002","90","","3754.9","0.3","170","","170","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H28 B11 Cl2 I7 N4 -","- C16 H28 B11 Cl2 I7 N4 -","- C64 H112 B44 Cl8 I28 N16 -","4","1","","Jiang, Chennuo; Chen, Lianyu; Jin, Yujie; Liu, Jiyong; Zhang, Kang; Duttwyler, Simon","Monocarborane-stabilized iodonium salts enable regioselective B12-iodination of [CB<sub>11</sub>H<sub>12</sub>]<sup/>.","Dalton transactions (Cambridge, England : 2003)","2026","55","3","1109","1113","10.1039/d5dt02721g","","x-ray","1.34139","GaKα","","0.0364","0.028","","","0.0553","0.058","","","","","","1.047","","","","has coordinates","304763","2026-03-04","11:39:16",""
"7720515","9.7127","0.0003","14.5096","0.0005","24.3406","0.0008","90","","90.922","0.001","90","","3429.81","0.19","170","","170","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C16 H28 B11 Br6 Cl2 I N4 -","- C16 H28 B11 Br6 Cl2 I N4 -","- C64 H112 B44 Br24 Cl8 I4 N16 -","4","1","","Jiang, Chennuo; Chen, Lianyu; Jin, Yujie; Liu, Jiyong; Zhang, Kang; Duttwyler, Simon","Monocarborane-stabilized iodonium salts enable regioselective B12-iodination of [CB<sub>11</sub>H<sub>12</sub>]<sup/>.","Dalton transactions (Cambridge, England : 2003)","2026","55","3","1109","1113","10.1039/d5dt02721g","","x-ray","1.34139","GaKα","","0.033","0.0306","","","0.0801","0.0812","","","","","","1.074","","","","has coordinates","304763","2026-03-04","11:39:16",""
"7720516","14.9066","0.0006","8.9852","0.0004","21.3656","0.0011","90","","106.617","0.002","90","","2742.2","0.2","298","","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H31 B11 I2 N4 -","- C15 H31 B11 I2 N4 -","- C60 H124 B44 I8 N16 -","4","1","","Jiang, Chennuo; Chen, Lianyu; Jin, Yujie; Liu, Jiyong; Zhang, Kang; Duttwyler, Simon","Monocarborane-stabilized iodonium salts enable regioselective B12-iodination of [CB<sub>11</sub>H<sub>12</sub>]<sup/>.","Dalton transactions (Cambridge, England : 2003)","2026","55","3","1109","1113","10.1039/d5dt02721g","","x-ray","0.71073","MoKα","","0.0494","0.0381","","","0.082","0.0942","","","","","","1.047","","","","has coordinates","304763","2026-03-04","11:39:16",""
"7720517","10.8897","0.0006","21.7447","0.0012","15.3415","0.0008","90","","90.933","0.002","90","","3632.3","0.3","150","","150","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C78 H40 Eu2 F20 N6 O14 -","- C78 H40 Eu2 F20 N6 O14 -","- C156 H80 Eu4 F40 N12 O28 -","2","1","","Levina, Anastasia A.; Shmelev, Maxim A.; Lalov, Andrey V.; Chistyakov, Aleksandr S.; Voronina, Julia K.; Varaksina, Evgeniya A.; Taydakov, Ilya V.; Sidorov, Alexey A.; Eremenko, Igor L.","Effect of combining 1-naphthoate and pentafluorobenzoate anions in Eu(III) compounds on their structure and photoluminescent properties.","Dalton transactions (Cambridge, England : 2003)","2026","55","3","1417","1435","10.1039/d5dt02665b","","","0.71073","MoKα","","0.0703","0.0567","","","0.1343","0.1486","","","","","","0.845","","","","has coordinates","304764","2026-03-04","11:40:35",""
"7720518","12.7439","0.0009","13.5698","0.0018","14.4841","0.0014","98.464","0.005","109.966","0.002","108.891","0.004","2131.8","0.4","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C77.8 H43 Eu2 F15 N6 O12 -","- C78 H43 Eu2 F15 N6 O12 -","- C78 H43 Eu2 F15 N6 O12 -","1","0.5","","Levina, Anastasia A.; Shmelev, Maxim A.; Lalov, Andrey V.; Chistyakov, Aleksandr S.; Voronina, Julia K.; Varaksina, Evgeniya A.; Taydakov, Ilya V.; Sidorov, Alexey A.; Eremenko, Igor L.","Effect of combining 1-naphthoate and pentafluorobenzoate anions in Eu(III) compounds on their structure and photoluminescent properties.","Dalton transactions (Cambridge, England : 2003)","2026","55","3","1417","1435","10.1039/d5dt02665b","","","0.71073","MoKα","","0.0712","0.0527","","","0.1135","0.1286","","","","","","1.042","","","","has coordinates,has disorder","304764","2026-03-04","11:40:35",""
"7720519","12.8451","0.0005","13.0931","0.0005","21.8306","0.0009","90","","90.082","0.002","90","","3671.5","0.3","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C82 H42 Eu2 F20 N4 O12 -","- C82 H42 Eu2 F20 N4 O12 -","- C164 H84 Eu4 F40 N8 O24 -","2","0.5","","Levina, Anastasia A.; Shmelev, Maxim A.; Lalov, Andrey V.; Chistyakov, Aleksandr S.; Voronina, Julia K.; Varaksina, Evgeniya A.; Taydakov, Ilya V.; Sidorov, Alexey A.; Eremenko, Igor L.","Effect of combining 1-naphthoate and pentafluorobenzoate anions in Eu(III) compounds on their structure and photoluminescent properties.","Dalton transactions (Cambridge, England : 2003)","2026","55","3","1417","1435","10.1039/d5dt02665b","","","1.54178","CuKα","","0.071","0.059","","","0.1419","0.149","","","","","","1.037","","","","has coordinates","304764","2026-03-04","11:40:35",""
"7720520","19.3888","0.001","25.78","0.0015","27.3266","0.0015","90","","90","","90","","13659","1.3","150","","150","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C70 H22 Eu2 F30 N6 O12 -","- C70 H22 Eu2 F30 N6 O12 -","- C560 H176 Eu16 F240 N48 O96 -","8","1","","Levina, Anastasia A.; Shmelev, Maxim A.; Lalov, Andrey V.; Chistyakov, Aleksandr S.; Voronina, Julia K.; Varaksina, Evgeniya A.; Taydakov, Ilya V.; Sidorov, Alexey A.; Eremenko, Igor L.","Effect of combining 1-naphthoate and pentafluorobenzoate anions in Eu(III) compounds on their structure and photoluminescent properties.","Dalton transactions (Cambridge, England : 2003)","2026","55","3","1417","1435","10.1039/d5dt02665b","","","0.71073","MoKα","","0.1197","0.0559","","","0.1185","0.1472","","","","","","1.008","","","","has coordinates","304764","2026-03-04","11:40:35",""
"7720521","13.449","0.0008","17.2769","0.001","16.4477","0.0011","90","","112.573","0.003","90","","3529","0.4","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C74 H36 Eu2 F20 N6 O12 -","- C74 H36 Eu2 F20 N6 O12 -","- C148 H72 Eu4 F40 N12 O24 -","2","0.5","","Levina, Anastasia A.; Shmelev, Maxim A.; Lalov, Andrey V.; Chistyakov, Aleksandr S.; Voronina, Julia K.; Varaksina, Evgeniya A.; Taydakov, Ilya V.; Sidorov, Alexey A.; Eremenko, Igor L.","Effect of combining 1-naphthoate and pentafluorobenzoate anions in Eu(III) compounds on their structure and photoluminescent properties.","Dalton transactions (Cambridge, England : 2003)","2026","55","3","1417","1435","10.1039/d5dt02665b","","","1.54178","CuKα","","0.075","0.0668","","","0.1857","0.1939","","","","","","1.05","","","","has coordinates","304764","2026-03-04","11:40:35",""
"7720522","11.504","0.0019","12.882","0.002","13.126","0.002","107.538","0.004","102.836","0.004","103.898","0.005","1706.9","0.5","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C76 H34 Eu2 F20 N4 O12 -","- C76 H34 Eu2 F20 N4 O12 -","- C76 H34 Eu2 F20 N4 O12 -","1","0.5","","Levina, Anastasia A.; Shmelev, Maxim A.; Lalov, Andrey V.; Chistyakov, Aleksandr S.; Voronina, Julia K.; Varaksina, Evgeniya A.; Taydakov, Ilya V.; Sidorov, Alexey A.; Eremenko, Igor L.","Effect of combining 1-naphthoate and pentafluorobenzoate anions in Eu(III) compounds on their structure and photoluminescent properties.","Dalton transactions (Cambridge, England : 2003)","2026","55","3","1417","1435","10.1039/d5dt02665b","","","0.71073","MoKα","","0.1211","0.0811","","","0.1868","0.2187","","","","","","1.009","","","","has coordinates,has disorder","304764","2026-03-04","11:40:35",""
"7720523","11.504","0.0019","12.882","0.002","13.126","0.002","107.538","0.004","102.836","0.004","103.898","0.005","1706.9","0.5","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C76 H34 Eu2 F20 N4 O12 -","- C76 H34 Eu2 F20 N4 O12 -","- C76 H34 Eu2 F20 N4 O12 -","1","0.5","","Levina, Anastasia A.; Shmelev, Maxim A.; Lalov, Andrey V.; Chistyakov, Aleksandr S.; Voronina, Julia K.; Varaksina, Evgeniya A.; Taydakov, Ilya V.; Sidorov, Alexey A.; Eremenko, Igor L.","Effect of combining 1-naphthoate and pentafluorobenzoate anions in Eu(III) compounds on their structure and photoluminescent properties.","Dalton transactions (Cambridge, England : 2003)","2026","55","3","1417","1435","10.1039/d5dt02665b","","","0.71073","MoKα","","0.1211","0.0811","","","0.1868","0.2187","","","","","","1.009","","","","has coordinates,has disorder","304764","2026-03-04","11:40:35",""
"7720524","13.7337","0.0006","22.2044","0.0007","24.4039","0.0011","90","","90","","90","","7441.9","0.5","150","","150","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C86 H50 Eu2 F10 N6 O12 -","- C86 H50 Eu2 F10 N6 O12 -","- C344 H200 Eu8 F40 N24 O48 -","4","0.5","","Levina, Anastasia A.; Shmelev, Maxim A.; Lalov, Andrey V.; Chistyakov, Aleksandr S.; Voronina, Julia K.; Varaksina, Evgeniya A.; Taydakov, Ilya V.; Sidorov, Alexey A.; Eremenko, Igor L.","Effect of combining 1-naphthoate and pentafluorobenzoate anions in Eu(III) compounds on their structure and photoluminescent properties.","Dalton transactions (Cambridge, England : 2003)","2026","55","3","1417","1435","10.1039/d5dt02665b","","","0.71073","MoKα","","0.0543","0.0388","","","0.0741","0.0808","","","","","","1.074","","","","has coordinates","304764","2026-03-04","11:40:35",""
"7720525","16.377","0.006","9.987","0.004","21.598","0.008","90","","100.764","0.011","90","","3470","2","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C70 H32 Eu2 F30 N4 O16 -","- C70 H32 Eu2 F30 N4 O16 -","- C140 H64 Eu4 F60 N8 O32 -","2","0.5","","Levina, Anastasia A.; Shmelev, Maxim A.; Lalov, Andrey V.; Chistyakov, Aleksandr S.; Voronina, Julia K.; Varaksina, Evgeniya A.; Taydakov, Ilya V.; Sidorov, Alexey A.; Eremenko, Igor L.","Effect of combining 1-naphthoate and pentafluorobenzoate anions in Eu(III) compounds on their structure and photoluminescent properties.","Dalton transactions (Cambridge, England : 2003)","2026","55","3","1417","1435","10.1039/d5dt02665b","","","0.71073","MoKα","","0.0957","0.0669","","","0.1514","0.1764","","","","","","1.056","","","","has coordinates","304764","2026-03-04","11:40:35",""
"7720526","14.4475","0.0005","18.6209","0.0007","19.361","0.0007","87.498","0.001","85.789","0.001","87.228","0.001","5184.3","0.3","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C212.8 H73.9 Eu6 F71.5 N12 O36 -","- C212.8 H73.9 Eu6 F71.5 N12 O36 -","- C212.8 H73.9 Eu6 F71.5 N12 O36 -","1","0.5","","Levina, Anastasia A.; Shmelev, Maxim A.; Lalov, Andrey V.; Chistyakov, Aleksandr S.; Voronina, Julia K.; Varaksina, Evgeniya A.; Taydakov, Ilya V.; Sidorov, Alexey A.; Eremenko, Igor L.","Effect of combining 1-naphthoate and pentafluorobenzoate anions in Eu(III) compounds on their structure and photoluminescent properties.","Dalton transactions (Cambridge, England : 2003)","2026","55","3","1417","1435","10.1039/d5dt02665b","","","0.71073","MoKα","","0.0876","0.055","","","0.1013","0.115","","","","","","1.025","","","","has coordinates,has disorder","304764","2026-03-04","11:40:35",""
"7720527","15.9034","0.0016","9.5088","0.0009","19.1598","0.0018","90","","97.895","0.007","90","","2869.9","0.5","90","0.5","90","0.5","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H54 Cu2 N22 O16 -","- C50 H50 Cu2 N22 O16 -","- C100 H100 Cu4 N44 O32 -","2","0.5","","Pokharel, Uttam R.; Fronczek, Frank R.; Maverick, Andrew W.","Discrete and polymeric supramolecular complexes assembled from Cu<sup>2+</sup> and isomeric xylylenebis(pyridyltriazoles).","Dalton transactions (Cambridge, England : 2003)","2026","55","3","1259","1273","10.1039/d5dt02551f","","","1.54184","CuKα","","0.0522","0.0415","","","0.1025","0.108","","","","","","1.057","","","","has coordinates","304765","2026-03-04","11:41:49",""
"7720528","8.964","0.003","13.137","0.004","14.005","0.004","115.408","0.014","97.499","0.017","100.703","0.014","1422.2","0.8","170","0.5","170","0.5","","","","","","","","7","P -1","-P 1","2","","","","- C37.75 H58.75 Cu F12 N13.25 O7.25 P2 -","- C34 H50 Cu F12 N12 O6 P2 -","- C34 H50 Cu F12 N12 O6 P2 -","1","0.5","","Pokharel, Uttam R.; Fronczek, Frank R.; Maverick, Andrew W.","Discrete and polymeric supramolecular complexes assembled from Cu<sup>2+</sup> and isomeric xylylenebis(pyridyltriazoles).","Dalton transactions (Cambridge, England : 2003)","2026","55","3","1259","1273","10.1039/d5dt02551f","","","0.71073","MoKα","","0.1116","0.0715","","","0.1997","0.2215","","","","","","1.058","","","","has coordinates,has disorder","304765","2026-03-04","11:41:49",""
"7720529","13.8729","0.0013","20.8932","0.0019","13.8843","0.0013","90","","111.861","0.006","90","","3735","0.6","90","0.5","90","0.5","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C64.8 H65.2 Cl16 Cu2 N24.4 -","- C48 H40 Cl16 Cu2 N16 -","- C96 H80 Cl32 Cu4 N32 -","2","0.5","","Pokharel, Uttam R.; Fronczek, Frank R.; Maverick, Andrew W.","Discrete and polymeric supramolecular complexes assembled from Cu<sup>2+</sup> and isomeric xylylenebis(pyridyltriazoles).","Dalton transactions (Cambridge, England : 2003)","2026","55","3","1259","1273","10.1039/d5dt02551f","","","1.54184","CuKα","","0.1026","0.0774","","","0.2223","0.2415","","","","","","1.069","","","","has coordinates","304765","2026-03-04","11:41:49",""
"7720530","8.791","0.002","12.004","0.003","17.853","0.004","74.326","0.015","76.798","0.014","87.66","0.014","1765.5","0.7","90","0.5","90","0.5","","","","","","","","7","P -1","-P 1","2","","","","- C56 H68 Cu2 F24 N16 O8 P4 -","- C56 H68 Cu2 F24 N16 O8 P4 -","- C56 H68 Cu2 F24 N16 O8 P4 -","1","0.5","","Pokharel, Uttam R.; Fronczek, Frank R.; Maverick, Andrew W.","Discrete and polymeric supramolecular complexes assembled from Cu<sup>2+</sup> and isomeric xylylenebis(pyridyltriazoles).","Dalton transactions (Cambridge, England : 2003)","2026","55","3","1259","1273","10.1039/d5dt02551f","","","1.54184","CuKα","","0.0427","0.0379","","","0.0997","0.1037","","","","","","1.052","","","","has coordinates","304765","2026-03-04","11:41:49",""
"7720531","8.6627","0.0006","18.4772","0.0011","9.3588","0.0006","90","","113.75","0.003","90","","1371.13","0.16","90","0.5","90","0.5","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 Cu2 N12 O12 -","- C22 H18 Cu2 N12 O12 -","- C44 H36 Cu4 N24 O24 -","2","0.5","","Pokharel, Uttam R.; Fronczek, Frank R.; Maverick, Andrew W.","Discrete and polymeric supramolecular complexes assembled from Cu<sup>2+</sup> and isomeric xylylenebis(pyridyltriazoles).","Dalton transactions (Cambridge, England : 2003)","2026","55","3","1259","1273","10.1039/d5dt02551f","","","1.54184","CuKα","","0.0429","0.0393","","","0.1105","0.1134","","","","","","1.061","","","","has coordinates","304765","2026-03-04","11:41:49",""
"7720532","13.384","0.002","19.582","0.003","14.839","0.002","90","","101.339","0.005","90","","3813.2","1","90","0.5","90","0.5","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C52 H46 Cl12 Cu2 F24 N18 P4 -","- C52 H46 Cl12 Cu2 F24 N18 P4 -","- C104 H92 Cl24 Cu4 F48 N36 P8 -","2","1","","Pokharel, Uttam R.; Fronczek, Frank R.; Maverick, Andrew W.","Discrete and polymeric supramolecular complexes assembled from Cu<sup>2+</sup> and isomeric xylylenebis(pyridyltriazoles).","Dalton transactions (Cambridge, England : 2003)","2026","55","3","1259","1273","10.1039/d5dt02551f","","","0.71073","MoKα","","0.0365","0.0338","","","0.084","0.0863","","","","","","1.024","","","","has coordinates,has disorder","304765","2026-03-04","11:41:49",""
"7720533","12.6125","0.0008","13.4244","0.0009","15.4304","0.001","93.867","0.003","106.12","0.003","114.674","0.003","2229.9","0.3","90","0.5","90","0.5","","","","","","","","8","P -1","-P 1","2","","","","- C78 H86 B2 Cu2 F20 N28 O6 P2 -","- C78 H86 B2 Cu2 F20 N28 O6 P2 -","- C78 H86 B2 Cu2 F20 N28 O6 P2 -","1","0.5","","Pokharel, Uttam R.; Fronczek, Frank R.; Maverick, Andrew W.","Discrete and polymeric supramolecular complexes assembled from Cu<sup>2+</sup> and isomeric xylylenebis(pyridyltriazoles).","Dalton transactions (Cambridge, England : 2003)","2026","55","3","1259","1273","10.1039/d5dt02551f","","","1.54184","CuKα","","0.0675","0.0623","","","0.1628","0.1666","","","","","","1.015","","","","has coordinates","304765","2026-03-04","11:41:49",""
"7720534","11.0009","0.0014","11.9123","0.0016","11.9902","0.0016","85.029","0.009","72.094","0.008","79.542","0.009","1469.5","0.3","100","0.5","100","0.5","","","","","","","","7","P -1","-P 1","2","","","","- C52 H48 Cl2 Cu2 F12 N20 P2 -","- C52 H48 Cl2 Cu2 F12 N20 P2 -","- C52 H48 Cl2 Cu2 F12 N20 P2 -","1","0.5","","Pokharel, Uttam R.; Fronczek, Frank R.; Maverick, Andrew W.","Discrete and polymeric supramolecular complexes assembled from Cu<sup>2+</sup> and isomeric xylylenebis(pyridyltriazoles).","Dalton transactions (Cambridge, England : 2003)","2026","55","3","1259","1273","10.1039/d5dt02551f","","","1.54184","CuKα","","0.0784","0.0582","","","0.1465","0.1605","","","","","","0.995","","","","has coordinates","304765","2026-03-04","11:41:49",""
"7720535","23.204","0.005","16.029","0.004","23.192","0.005","90","","116.819","0.015","90","","7698","3","90","0.5","90","0.5","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32.17 H44.08 B2 Cu F8 N10.73 O4.22 -","- C30 H39 B2 Cu F8 N10 O3.5 -","- C240 H312 B16 Cu8 F64 N80 O28 -","8","2","","Pokharel, Uttam R.; Fronczek, Frank R.; Maverick, Andrew W.","Discrete and polymeric supramolecular complexes assembled from Cu<sup>2+</sup> and isomeric xylylenebis(pyridyltriazoles).","Dalton transactions (Cambridge, England : 2003)","2026","55","3","1259","1273","10.1039/d5dt02551f","","","1.54184","CuKα","","0.1161","0.087","","","0.2392","0.2647","","","","","","1.02","","","","has coordinates","304765","2026-03-04","11:41:49",""
"7720536","12.2967","0.0016","12.4835","0.0015","14.044","0.0018","108.711","0.007","114.045","0.008","98.653","0.008","1763.5","0.4","100","0.5","100","0.5","","","","","","","","5","P -1","-P 1","2","","","","- C60.2 H71.8 Cu2 N25.4 O15.4 -","- C50 H48 Cu2 N22 O12 -","- C50 H48 Cu2 N22 O12 -","1","0.5","","Pokharel, Uttam R.; Fronczek, Frank R.; Maverick, Andrew W.","Discrete and polymeric supramolecular complexes assembled from Cu<sup>2+</sup> and isomeric xylylenebis(pyridyltriazoles).","Dalton transactions (Cambridge, England : 2003)","2026","55","3","1259","1273","10.1039/d5dt02551f","","","1.54184","CuKα","","0.1298","0.1025","","","0.2985","0.3227","","","","","","1.219","","","","has coordinates,has disorder","304765","2026-03-04","11:41:49",""
"7720537","34.7353","0.0013","15.0083","0.0005","24.2823","0.001","90","","131.826","0.002","90","","9433","0.7","90","0.5","90","0.5","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C81 H76.5 Cu2 F24 N31.5 P4 -","- C74 H66 Cu2 F24 N28 P4 -","- C296 H264 Cu8 F96 N112 P16 -","4","0.5","","Pokharel, Uttam R.; Fronczek, Frank R.; Maverick, Andrew W.","Discrete and polymeric supramolecular complexes assembled from Cu<sup>2+</sup> and isomeric xylylenebis(pyridyltriazoles).","Dalton transactions (Cambridge, England : 2003)","2026","55","3","1259","1273","10.1039/d5dt02551f","","","1.54184","CuKα","","0.0583","0.0537","","","0.1417","0.1451","","","","","","1.045","","","","has coordinates,has disorder","304765","2026-03-04","11:41:50",""
"7720538","4.5482","0.0004","4.5482","0.0004","7.3726","0.001","90","","90","","120","","132.08","0.02","299","","299","","","","","","","","","6","P -3","-P 3","147","","","","- B2 Be2 F2 Mg O6 Sr -","- B2 Be2 F2 Mg O6 Sr -","- B2 Be2 F2 Mg O6 Sr -","1","0.166667","","Wu, Tong; Kang, Lei; Liu, Fan; Guo, Ruixin; Guo, Shu; Huang, Tianhong; Shang, Shuangyue; Liu, Lijuan; Wang, Xiaoyang","SrMBe<sub>2</sub>(BO<sub>3</sub>)<sub>2</sub>F<sub>2</sub>(M = Zn, Mg): two SBBO-like compounds obtained by cation regulation.","Dalton transactions (Cambridge, England : 2003)","2026","55","3","1164","1168","10.1039/d5dt02730f","","","0.71073","MoKα","","0.0274","0.0274","","","0.0685","0.0685","","","","","","1.078","","","","has coordinates","304766","2026-03-04","11:42:21",""
"7720539","4.5577","0.0002","4.5577","0.0002","7.384","0.0007","90","","90","","120","","132.835","0.015","287","","287","","","","","","","","","6","P -3","-P 3","147","","","","- B2 Be2 F2 O6 Sr Zn -","- B2 Be2 F2 O6 Sr Zn -","- B2 Be2 F2 O6 Sr Zn -","1","0.166667","","Wu, Tong; Kang, Lei; Liu, Fan; Guo, Ruixin; Guo, Shu; Huang, Tianhong; Shang, Shuangyue; Liu, Lijuan; Wang, Xiaoyang","SrMBe<sub>2</sub>(BO<sub>3</sub>)<sub>2</sub>F<sub>2</sub>(M = Zn, Mg): two SBBO-like compounds obtained by cation regulation.","Dalton transactions (Cambridge, England : 2003)","2026","55","3","1164","1168","10.1039/d5dt02730f","","x-ray","0.71073","MoKα","","0.0209","0.0205","","","0.057","0.0571","","","","","","1.3","","","","has coordinates","304766","2026-03-04","11:42:21",""
"7720540","8.284","0.006","9.77","0.007","9.568","0.007","90","","90","","90","","774.4","1","293","","293","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C4 H10 Cl N O5 -","- C4 H10 Cl N O5 -","- C16 H40 Cl4 N4 O20 -","4","0.5","","Xu, Zeyu; Jiang, Xiu'e; Wang, Ruihui; Fan, Mingren; Wang, Yi; Zhang, Qinghua","Facile and low-cost construction of laser-ignitable energetic materials.","Dalton transactions (Cambridge, England : 2003)","2026","55","3","1436","1444","10.1039/d5dt02640g","","","0.71073","MoKα","","0.0961","0.0743","","","0.1879","0.2119","","","","","","1.073","","","","has coordinates,has disorder","304767","2026-03-04","11:42:49",""
"7720541","7.7982","0.0005","10.6867","0.0008","14.9073","0.001","90","","98.435","0.002","90","","1228.89","0.15","193","","193","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C5 H16 Cl2 N2 O9 -","- C5 H16 Cl2 N2 O9 -","- C20 H64 Cl8 N8 O36 -","4","1","","Xu, Zeyu; Jiang, Xiu'e; Wang, Ruihui; Fan, Mingren; Wang, Yi; Zhang, Qinghua","Facile and low-cost construction of laser-ignitable energetic materials.","Dalton transactions (Cambridge, England : 2003)","2026","55","3","1436","1444","10.1039/d5dt02640g","","","0.71073","MoKα","","0.0539","0.0385","","","0.0881","0.0983","","","","","","1.052","","","","has coordinates,has disorder","304767","2026-03-04","11:42:49",""
"7720542","6.1177","0.0004","14.948","0.0011","6.9688","0.0004","90","","101.692","0.002","90","","624.06","0.07","150.15","","150.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H16 Cl2 N2 O8 -","- C6 H16 Cl2 N2 O8 -","- C12 H32 Cl4 N4 O16 -","2","0.5","","Xu, Zeyu; Jiang, Xiu'e; Wang, Ruihui; Fan, Mingren; Wang, Yi; Zhang, Qinghua","Facile and low-cost construction of laser-ignitable energetic materials.","Dalton transactions (Cambridge, England : 2003)","2026","55","3","1436","1444","10.1039/d5dt02640g","","","0.71073","MoKα","","0.0969","0.0716","","","0.1395","0.1527","","","","","","1.165","","","","has coordinates","304767","2026-03-04","11:42:49",""
"7720543","7.187","0.0005","6.476","0.0004","13.3062","0.001","90","","96","0.002","90","","615.92","0.07","170.15","","170.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C4 H16 Cl2 N2 O10 -","- C4 H16 Cl2 N2 O10 -","- C8 H32 Cl4 N4 O20 -","2","0.5","","Xu, Zeyu; Jiang, Xiu'e; Wang, Ruihui; Fan, Mingren; Wang, Yi; Zhang, Qinghua","Facile and low-cost construction of laser-ignitable energetic materials.","Dalton transactions (Cambridge, England : 2003)","2026","55","3","1436","1444","10.1039/d5dt02640g","","","0.71073","MoKα","","0.0531","0.0405","","","0.0923","0.1","","","","","","1.074","","","","has coordinates","304767","2026-03-04","11:42:49",""
"7720544","21.8814","0.001","22.2623","0.0009","35.8239","0.0017","97.262","0.002","104.428","0.002","90.817","0.002","16745.9","1.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C340 H424 Gd18 Mn18 N104 O232 -","- C340 H420 Gd18 Mn18 N104 O232 -","- C340 H420 Gd18 Mn18 N104 O232 -","1","0.5","","Costa-Villén, Ernesto; Puigjaner, Cristina; Mayans, Júlia; Escuer, Albert","Dodecanuclear Mn<sup>II</sup>-Gd<sup>III</sup> metallomacrocycles: magnetic and refrigerant responses.","Dalton transactions (Cambridge, England : 2003)","2026","55","3","1298","1305","10.1039/d5dt02886h","","","0.71073","MoKα","","0.0763","0.054","","","0.1328","0.1486","","","","","","1.06","","","","has coordinates,has disorder","304768","2026-03-04","11:43:28",""
"7720545","34.2922","0.0012","34.2922","0.0012","21.5263","0.0013","90","","90","","120","","21922.5","1.7","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C144 H132 Gd6 Mn6 N36 O78 -","- C144 H132 Gd6 Mn6 N36 O78 -","- C432 H396 Gd18 Mn18 N108 O234 -","3","0.166667","","Costa-Villén, Ernesto; Puigjaner, Cristina; Mayans, Júlia; Escuer, Albert","Dodecanuclear Mn<sup>II</sup>-Gd<sup>III</sup> metallomacrocycles: magnetic and refrigerant responses.","Dalton transactions (Cambridge, England : 2003)","2026","55","3","1298","1305","10.1039/d5dt02886h","","","0.71073","MoKα","","0.1235","0.0864","","","0.2241","0.2639","","","","","","1.032","","","","has coordinates,has disorder","304768","2026-03-04","11:43:29",""
"7720546","14.1055","0.0005","19.2368","0.0006","19.9639","0.0006","84.734","0.003","71.04","0.003","76.279","0.003","4976.4","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C92 H92 B2 Co2 F8 N12 O7 -","- C92 H92 B2 Co2 F8 N12 O7 -","- C184 H184 B4 Co4 F16 N24 O14 -","2","1","","Chakraborty, Anuj Baran; Hazra, Rajib; Mukherjee, Srimayee; Majumdar, Amit","Electronic effects of substituents on the catalytic conversion of thiolates to alcohols by carboxylate bridged nonheme binuclear Fe(II) and Co(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","3","1335","1348","10.1039/d5dt02420j","","x-ray","0.71073","MoKα","","0.0828","0.0678","","","0.1823","0.1956","","","","","","1.027","","","","has coordinates,has disorder","304769","2026-03-04","11:44:18",""
"7720547","14.2379","0.0006","15.3665","0.0006","21.6986","0.0009","92.18","0.002","106.103","0.002","91.798","0.002","4553.5","0.3","140","2","140","2","","","","","","","","7","P -1","-P 1","2","","","","- C88 H78 B2 F10 Fe2 N12 O3 -","- C88 H78 B2 F10 Fe2 N12 O3 -","- C176 H156 B4 F20 Fe4 N24 O6 -","2","1","","Chakraborty, Anuj Baran; Hazra, Rajib; Mukherjee, Srimayee; Majumdar, Amit","Electronic effects of substituents on the catalytic conversion of thiolates to alcohols by carboxylate bridged nonheme binuclear Fe(II) and Co(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","3","1335","1348","10.1039/d5dt02420j","","x-ray","0.71073","MoKα","","0.0793","0.0627","","","0.1624","0.17","","","","","","1.035","","","","has coordinates,has disorder","304769","2026-03-04","11:44:19",""
"7720548","13.9956","0.0007","15.4261","0.0006","21.4618","0.0007","90.995","0.003","105.6","0.004","91.867","0.004","4458.8","0.3","130","2","130","2","","","","","","","","7","P -1","-P 1","2","","","","- C90 H81 B2 Co2 F10 N13 O3 -","- C90 H81 B2 Co2 F10 N13 O3 -","- C180 H162 B4 Co4 F20 N26 O6 -","2","1","","Chakraborty, Anuj Baran; Hazra, Rajib; Mukherjee, Srimayee; Majumdar, Amit","Electronic effects of substituents on the catalytic conversion of thiolates to alcohols by carboxylate bridged nonheme binuclear Fe(II) and Co(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","3","1335","1348","10.1039/d5dt02420j","","x-ray","0.71073","MoKα","","0.0902","0.0718","","","0.1982","0.2187","","","","","","1.041","","","","has coordinates,has disorder","304769","2026-03-04","11:44:19",""
"7720549","14.0777","0.0007","19.3657","0.0011","20.0923","0.0009","85.067","0.002","71.752","0.002","77.266","0.002","5073.4","0.5","140","2","140","2","","","","","","","","7","P -1","-P 1","2","","","","- C94 H97 B2 Co2 F8 N11 O8 -","- C94 H97 B2 Co2 F8 N11 O8 -","- C188 H194 B4 Co4 F16 N22 O16 -","2","1","","Chakraborty, Anuj Baran; Hazra, Rajib; Mukherjee, Srimayee; Majumdar, Amit","Electronic effects of substituents on the catalytic conversion of thiolates to alcohols by carboxylate bridged nonheme binuclear Fe(II) and Co(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","3","1335","1348","10.1039/d5dt02420j","","x-ray","0.71073","MoKα","","0.0835","0.0762","","","0.2032","0.2083","","","","","","1.078","","","","has coordinates,has disorder","304769","2026-03-04","11:44:19",""
"7720550","9.9607","","9.9607","","18.0472","","90","","90","","90","","1790.56","","298","","298","","","","","","","","","4","P 42/m m c","-P 4c 2","131","","","","- C16 In N2 O8 -","- C16 In N2 O8 -","- C32 In2 N4 O16 -","2","0.125","","He, Chaohui; Guo, Jinglin; Krishna, Rajamani; Jia, Zhenzhen; Zhang, Yujuan; Wang, Xiao-Qing; Hu, Tuoping","Efficient separation of CH<sub>4</sub>/C<sub>2</sub>H<sub>6</sub>/C<sub>3</sub>H<sub>8</sub> enabled by an indium-tetracarboxylate MOF with cross-channel and amino sites.","Dalton transactions (Cambridge, England : 2003)","2026","55","3","1114","1118","10.1039/d5dt02718g","powder diffraction","","1.54059","CuKα","","","","","","","","","0.059","1.76","","","","","","","has coordinates","304770","2026-03-04","11:44:41",""
"7720551","9.9564","0.0018","11.5148","0.0009","17.391","0.003","84.921","0.018","86.684","0.012","86.06","0.03","1978.6","0.5","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C21 H27 Au3 F27 O3 P3 -","- C21 H27 Au3 F27 O3 P3 -","- C42 H54 Au6 F54 O6 P6 -","2","1","","Hoffman, Nicholas A.; Emslie, David J. H.","Gold(I) alkoxide and thiolate complexes as potential atomic layer deposition precursors.","Dalton transactions (Cambridge, England : 2003)","2026","55","3","1234","1247","10.1039/d5dt02836a","","","0.71073","MoKα","","0.0377","0.0305","","","0.0774","0.08","","","","","","1.03","","","","has coordinates,has disorder","304771","2026-03-04","11:45:36",""
"7720552","8.841","0.003","10.717","0.0012","12.075","0.003","85.65","0.03","71.233","0.012","88.65","0.01","1080.1","0.5","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C16 H27 Au F9 O P -","- C16 H27 Au F9 O P -","- C32 H54 Au2 F18 O2 P2 -","2","1","","Hoffman, Nicholas A.; Emslie, David J. H.","Gold(I) alkoxide and thiolate complexes as potential atomic layer deposition precursors.","Dalton transactions (Cambridge, England : 2003)","2026","55","3","1234","1247","10.1039/d5dt02836a","","","0.71073","MoKα","","0.0183","0.0165","","","0.0335","0.0337","","","","","","1.073","","","","has coordinates","304771","2026-03-04","11:45:37",""
"7720553","9.968","0.004","15.365","0.007","24.734","0.012","90","","90","","90","","3788","3","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C14 H22 Au F6 O2 P -","- C14 H22 Au F6 O2 P -","- C112 H176 Au8 F48 O16 P8 -","8","1","","Hoffman, Nicholas A.; Emslie, David J. H.","Gold(I) alkoxide and thiolate complexes as potential atomic layer deposition precursors.","Dalton transactions (Cambridge, England : 2003)","2026","55","3","1234","1247","10.1039/d5dt02836a","","","0.71073","MoKα","","0.0839","0.0547","","","0.1117","0.125","","","","","","1.054","","","","has coordinates","304771","2026-03-04","11:45:37",""
"7720554","7.328","0.002","17.503","0.002","14.509","0.004","90","","92.614","0.015","90","","1859","0.8","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Au(pftb)(PiPr3)","","- C13 H21 Au F9 O P -","- C13 H21 Au F9 O P -","- C52 H84 Au4 F36 O4 P4 -","4","1","","Hoffman, Nicholas A.; Emslie, David J. H.","Gold(I) alkoxide and thiolate complexes as potential atomic layer deposition precursors.","Dalton transactions (Cambridge, England : 2003)","2026","55","3","1234","1247","10.1039/d5dt02836a","","","0.71073","MoKα","","0.0199","0.0153","","","0.0306","0.0314","","","","","","1.013","","","","has coordinates","304771","2026-03-04","11:45:37",""
"7720555","9.3457","0.0019","10.051","0.002","18.098","0.004","90","","90.258","0.009","90","","1700","0.6","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H30 Au P S -","- C13 H30 Au P S -","- C52 H120 Au4 P4 S4 -","4","1","","Hoffman, Nicholas A.; Emslie, David J. H.","Gold(I) alkoxide and thiolate complexes as potential atomic layer deposition precursors.","Dalton transactions (Cambridge, England : 2003)","2026","55","3","1234","1247","10.1039/d5dt02836a","","","0.71073","MoKα","","0.0129","0.0117","","","0.0269","0.0273","","","","","","1.075","","","","has coordinates","304771","2026-03-04","11:45:37",""
"7720556","17.793","0.007","15.821","0.005","16.109","0.004","90","","90","","90","","4535","3","100","","100","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C14 H36 Au2 P2 S2 -","- C14 H36 Au2 P2 S2 -","- C112 H288 Au16 P16 S16 -","8","2","","Hoffman, Nicholas A.; Emslie, David J. H.","Gold(I) alkoxide and thiolate complexes as potential atomic layer deposition precursors.","Dalton transactions (Cambridge, England : 2003)","2026","55","3","1234","1247","10.1039/d5dt02836a","","","0.71073","MoKα","","0.0398","0.0294","","","0.061","0.0654","","","","","","1.019","","","","has coordinates","304771","2026-03-04","11:45:37",""
"7720557","9.049","0.002","10.313","0.003","19.881","0.007","82.075","0.014","85.745","0.01","89.516","0.011","1832.6","0.9","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H43 Au F18 O2 P2 -","- C26 H43 Au F18 O2 P2 -","- C52 H86 Au2 F36 O4 P4 -","2","1","","Hoffman, Nicholas A.; Emslie, David J. H.","Gold(I) alkoxide and thiolate complexes as potential atomic layer deposition precursors.","Dalton transactions (Cambridge, England : 2003)","2026","55","3","1234","1247","10.1039/d5dt02836a","","","0.71073","MoKα","","0.0379","0.0336","","","0.072","0.0735","","","","","","1.171","","","","has coordinates","304771","2026-03-04","11:45:38",""
"7720558","20.0126","0.0005","20.9012","0.0004","35.8631","0.0005","90","","90","","90","","15001.1","0.5","150","2","150.15","","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C43 H34 Cl2 N6 O2 Zn -","- C43 H34 Cl2 N6 O2 Zn -","- C688 H544 Cl32 N96 O32 Zn16 -","16","0.5","","Chauhan, Pinky; Sarkar, Abani; Ravikanth, Mangalampalli","Synthesis of Ni(II) and Zn(II) complexes of pyrrolyl dipyrrins and their biomimetic role in catalyzing the hydrolysis of the phospho-ester bond.","Dalton transactions (Cambridge, England : 2003)","2026","55","3","1349","1359","10.1039/d5dt02700d","","","0.71073","MoKα","","0.037","0.0347","","","0.0929","0.0956","","","","","","1.0441","","","","has coordinates","304772","2026-03-04","11:47:20",""
"7720559","8.447","0.008","8.757","0.008","13.826","0.012","74.579","0.019","74.53","0.02","65.03","0.02","879.7","1.4","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H17 N3 Ni O2 -","- C21 H17 N3 Ni O2 -","- C42 H34 N6 Ni2 O4 -","2","1","","Chauhan, Pinky; Sarkar, Abani; Ravikanth, Mangalampalli","Synthesis of Ni(II) and Zn(II) complexes of pyrrolyl dipyrrins and their biomimetic role in catalyzing the hydrolysis of the phospho-ester bond.","Dalton transactions (Cambridge, England : 2003)","2026","55","3","1349","1359","10.1039/d5dt02700d","","","0.71073","MoKα","","0.1286","0.0759","","","0.1809","0.2227","","","","","","1.0306","","","","has coordinates","304772","2026-03-04","11:47:21",""
"7720560","32.7458","0.0004","12.4657","0.0002","33.4685","0.0005","90","","90.865","0.001","90","","13660.3","0.3","150","0.1","150.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C40 H32 N6 Zn -","- C40 H32 N6 Zn -","- C640 H512 N96 Zn16 -","16","2","","Chauhan, Pinky; Sarkar, Abani; Ravikanth, Mangalampalli","Synthesis of Ni(II) and Zn(II) complexes of pyrrolyl dipyrrins and their biomimetic role in catalyzing the hydrolysis of the phospho-ester bond.","Dalton transactions (Cambridge, England : 2003)","2026","55","3","1349","1359","10.1039/d5dt02700d","","","0.71073","MoKα","","0.0449","0.0397","","","0.1091","0.1134","","","","","","1.0489","","","","has coordinates","304772","2026-03-04","11:47:21",""
"7720561","11.8115","0.0003","14.1038","0.0004","20.1361","0.0005","70.054","0.001","88.114","0.001","85.582","0.001","3143.75","0.14","130","2","130","2","","","","","","","","7","P -1","-P 1","2","SQP5_KPF6","","","- C57.1 H58.25 F18 K N5.25 O14.65 P -","- C57.1 H58.25 F18 K N5.25 O14.65 P -","- C114.2 H116.5 F36 K2 N10.5 O29.3 P2 -","2","1","","Jagleniec, Damian; Wilczek, Marcin; Dobrzycki, Łukasz; Marmur, Tomasz; Marcisz, Kamil; Romański, Jan","Competing but coexisting: sulfate- and potassium-induced supramolecular motifs in squaramide-based receptor complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","12","4941","4950","10.1039/d6dt00391e","","x-ray","1.54178","CuKα","","0.0549","0.0529","","","0.1397","0.1415","","","","","","1.039","","","","has coordinates,has disorder","305387","2026-04-05","12:11:25",""
"7720562","11.6788","0.0003","40.5906","0.001","12.3583","0.0003","90","","99.202","0.001","90","","5783.1","0.2","130","2","130","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","SQP5_KCl_X","","","- C54 H53 Cl F12 K N5 O15 -","- C54 H53 Cl F12 K N5 O15 -","- C216 H212 Cl4 F48 K4 N20 O60 -","4","1","","Jagleniec, Damian; Wilczek, Marcin; Dobrzycki, Łukasz; Marmur, Tomasz; Marcisz, Kamil; Romański, Jan","Competing but coexisting: sulfate- and potassium-induced supramolecular motifs in squaramide-based receptor complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","12","4941","4950","10.1039/d6dt00391e","","","1.54178","CuKα","","0.0367","0.034","","","0.0861","0.0881","","","","","","1.055","","","","has coordinates,has disorder","305387","2026-04-05","12:11:25",""
"7720563","20.0763","0.0019","20.094","0.002","32.699","0.003","87.699","0.004","87.562","0.003","74.488","0.003","12694","2","130","2","130","1","","","","","","","","7","P -1","-P 1","2","SQP5_TBA2SO4","","","- C115.05 H112.57 F24 K2 N13.52 O32 S -","- C115.05 H112.575 F24 K2 N13.525 O32 S -","- C460.2 H450.3 F96 K8 N54.1 O128 S4 -","4","2","","Jagleniec, Damian; Wilczek, Marcin; Dobrzycki, Łukasz; Marmur, Tomasz; Marcisz, Kamil; Romański, Jan","Competing but coexisting: sulfate- and potassium-induced supramolecular motifs in squaramide-based receptor complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","12","4941","4950","10.1039/d6dt00391e","","","0.71073","MoKα","","0.0559","0.0436","","","0.1038","0.1143","","","","","","1.059","","","","has coordinates,has disorder","305387","2026-04-05","12:11:25",""
"7720564","13.091","0.009","9.094","0.006","11.318","0.008","90","","90","","90","","1347.4","1.6","120","2","120.15","","","","","","","","","5","P n 21 a","P -2ac -2n","33","","","","- C5 H13 Cl5 N Sb -","- C5 H13 Cl5 N Sb -","- C20 H52 Cl20 N4 Sb4 -","4","1","","Li, Ya-Juan; Tong, Yu-Qiao; Yin, Shi-Qing; Gu, Qian-Jun; Gong, Peng-Peng; Guo, Yi; Huang, Bo; Zhu, Ai-Xin","A one-dimensional hybrid ferroelectric exhibiting lone pair stereoactivity based on square pyramids.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5313","5318","10.1039/d6dt00395h","","","0.71076","MoKα","","0.0586","0.0452","","","0.1049","0.1141","","","","","","1.143","","","","has coordinates","305376","2026-04-05","12:09:07",""
"7720565","13.0163","0.0011","9.0703","0.0008","11.2869","0.001","90","","90","","90","","1332.6","0.2","300","2","300.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C5 H13 Cl5 N Sb -","- C5 H13 Cl5 N Sb -","- C20 H52 Cl20 N4 Sb4 -","4","0.5","","Li, Ya-Juan; Tong, Yu-Qiao; Yin, Shi-Qing; Gu, Qian-Jun; Gong, Peng-Peng; Guo, Yi; Huang, Bo; Zhu, Ai-Xin","A one-dimensional hybrid ferroelectric exhibiting lone pair stereoactivity based on square pyramids.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5313","5318","10.1039/d6dt00395h","","","0.71073","MoKα","","0.0508","0.0403","","","0.1194","0.1258","","","","","","1.081","","","","has coordinates,has disorder","305376","2026-04-05","12:09:07",""
"7720566","15.6824","0.0015","8.9748","0.0008","16.5729","0.0016","90","","99.359","0.01","90","","2301.5","0.4","150","0.1","150","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H34 N2 -","- C28 H34 N2 -","- C112 H136 N8 -","4","1","","de Vere-Tucker, Matthew; Squire, Imogen; Tritto, Michelangelo; Anandkar, Rohil; Syeda, Tayyibah; Uthayan, Divia; Aguila, Gabrielle; Silva de Moraes, Lygia; Bakewell, Clare","Amidines: a deeper look at the archetypal pro-ligand.","Dalton transactions (Cambridge, England : 2003)","2026","55","12","4977","4987","10.1039/d6dt00276e","","x-ray","0.71073","MoKα","","0.1195","0.067","","","0.1049","0.1226","","","","","","1.033","","","","has coordinates,has disorder","305395","2026-04-05","12:13:12",""
"7720567","15.217","0.002","10.6241","0.0004","29.473","0.004","90","","137.12","0.03","90","","3242.3","1.9","293.15","0.1","293.15","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34.5 H46.5 N3 O1.25 -","- C32 H39 N3 -","- C128 H156 N12 -","4","1","","de Vere-Tucker, Matthew; Squire, Imogen; Tritto, Michelangelo; Anandkar, Rohil; Syeda, Tayyibah; Uthayan, Divia; Aguila, Gabrielle; Silva de Moraes, Lygia; Bakewell, Clare","Amidines: a deeper look at the archetypal pro-ligand.","Dalton transactions (Cambridge, England : 2003)","2026","55","12","4977","4987","10.1039/d6dt00276e","","x-ray","1.54184","CuKα","","0.1049","0.072","","","0.2175","0.2493","","","","","","1.082","","","","has coordinates","305395","2026-04-05","12:13:12",""
"7720568","10.8893","0.0009","10.9235","0.0007","12.1064","0.0008","98.176","0.005","107.648","0.006","106.388","0.007","1275.02","0.18","150","0.1","150.15","","","","","","","","","3","P -1","-P 1","2","","","","- C30 H38 N2 -","- C30 H38 N2 -","- C60 H76 N4 -","2","1","","de Vere-Tucker, Matthew; Squire, Imogen; Tritto, Michelangelo; Anandkar, Rohil; Syeda, Tayyibah; Uthayan, Divia; Aguila, Gabrielle; Silva de Moraes, Lygia; Bakewell, Clare","Amidines: a deeper look at the archetypal pro-ligand.","Dalton transactions (Cambridge, England : 2003)","2026","55","12","4977","4987","10.1039/d6dt00276e","","","1.54184","CuKα","","0.0658","0.0501","","","0.1192","0.1316","","","","","","1.029","","","","has coordinates,has disorder","305395","2026-04-05","12:13:12",""
"7720569","12.0013","0.0003","21.8264","0.0006","13.1336","0.0003","90","","96.842","0.002","90","","3415.78","0.15","100","0.1","100","0.1","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C76 H109 Al N4 -","- C70 H95 Al N4 -","- C140 H190 Al2 N8 -","2","1","","de Vere-Tucker, Matthew; Squire, Imogen; Tritto, Michelangelo; Anandkar, Rohil; Syeda, Tayyibah; Uthayan, Divia; Aguila, Gabrielle; Silva de Moraes, Lygia; Bakewell, Clare","Amidines: a deeper look at the archetypal pro-ligand.","Dalton transactions (Cambridge, England : 2003)","2026","55","12","4977","4987","10.1039/d6dt00276e","","x-ray","1.54184","CuKα","","0.0828","0.0666","","","0.1934","0.2122","","","","","","1.065","","","","has coordinates,has disorder","305395","2026-04-05","12:13:12",""
"7720570","11.9554","0.0004","12.4312","0.0005","20.2934","0.0006","72.226","0.003","89.976","0.002","67.51","0.003","2630.31","0.18","293.15","0.1","293.15","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C30 H38 N2 -","- C30 H38 N2 -","- C120 H152 N8 -","4","2","","de Vere-Tucker, Matthew; Squire, Imogen; Tritto, Michelangelo; Anandkar, Rohil; Syeda, Tayyibah; Uthayan, Divia; Aguila, Gabrielle; Silva de Moraes, Lygia; Bakewell, Clare","Amidines: a deeper look at the archetypal pro-ligand.","Dalton transactions (Cambridge, England : 2003)","2026","55","12","4977","4987","10.1039/d6dt00276e","","x-ray","1.54184","CuKα","","0.1053","0.0938","","","0.2392","0.245","","","","","","1.051","","","","has coordinates,has disorder","305395","2026-04-05","12:13:12",""
"7720571","9.0212","0.0002","12.7128","0.0005","13.2559","0.0004","117.251","0.004","91.69","0.002","97.297","0.002","1333.93","0.09","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C60 H78 Al2 N4 -","- C60 H78 Al2 N4 -","- C60 H78 Al2 N4 -","1","0.5","","de Vere-Tucker, Matthew; Squire, Imogen; Tritto, Michelangelo; Anandkar, Rohil; Syeda, Tayyibah; Uthayan, Divia; Aguila, Gabrielle; Silva de Moraes, Lygia; Bakewell, Clare","Amidines: a deeper look at the archetypal pro-ligand.","Dalton transactions (Cambridge, England : 2003)","2026","55","12","4977","4987","10.1039/d6dt00276e","","x-ray","1.54184","CuKα","","0.0906","0.0775","","","0.2134","0.2251","","","","","","1.053","","","","has coordinates,has disorder","305395","2026-04-05","12:13:12",""
"7720572","22.1834","0.0005","9.6461","0.0002","25.8423","0.0006","90","","102.843","0.002","90","","5391.5","0.2","150","0.1","150","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C62 H73 Al N4 -","- C56 H67 Al N4 -","- C224 H268 Al4 N16 -","4","0.5","","de Vere-Tucker, Matthew; Squire, Imogen; Tritto, Michelangelo; Anandkar, Rohil; Syeda, Tayyibah; Uthayan, Divia; Aguila, Gabrielle; Silva de Moraes, Lygia; Bakewell, Clare","Amidines: a deeper look at the archetypal pro-ligand.","Dalton transactions (Cambridge, England : 2003)","2026","55","12","4977","4987","10.1039/d6dt00276e","","x-ray","1.54184","CuKα","","0.0685","0.0559","","","0.1557","0.1645","","","","","","1.044","","","","has coordinates,has disorder","305395","2026-04-05","12:13:12",""
"7720573","11.1717","0.0002","15.5948","0.0002","20.5002","0.0004","90","","92.516","0.002","90","","3568.11","0.11","100","0.1","100","0.1","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C78 H96 Al2 F6 N4 -","- C78 H96 Al2 F6 N4 -","- C156 H192 Al4 F12 N8 -","2","0.5","","de Vere-Tucker, Matthew; Squire, Imogen; Tritto, Michelangelo; Anandkar, Rohil; Syeda, Tayyibah; Uthayan, Divia; Aguila, Gabrielle; Silva de Moraes, Lygia; Bakewell, Clare","Amidines: a deeper look at the archetypal pro-ligand.","Dalton transactions (Cambridge, England : 2003)","2026","55","12","4977","4987","10.1039/d6dt00276e","","x-ray","1.54184","CuKα","","0.1333","0.1288","","","0.279","0.2807","","","","","","1.245","","","","has coordinates,has disorder","305395","2026-04-05","12:13:12",""
"7720574","12.2254","0.0003","13.2838","0.0003","13.9435","0.0004","72.394","0.002","64.263","0.003","75.267","0.002","1924.19","0.1","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C87 H114 Al2 N4 -","- C87 H114 Al2 N4 -","- C87 H114 Al2 N4 -","1","0.5","","de Vere-Tucker, Matthew; Squire, Imogen; Tritto, Michelangelo; Anandkar, Rohil; Syeda, Tayyibah; Uthayan, Divia; Aguila, Gabrielle; Silva de Moraes, Lygia; Bakewell, Clare","Amidines: a deeper look at the archetypal pro-ligand.","Dalton transactions (Cambridge, England : 2003)","2026","55","12","4977","4987","10.1039/d6dt00276e","","x-ray","1.54184","CuKα","","0.0853","0.0739","","","0.1659","0.1719","","","","","","1.044","","","","has coordinates,has disorder","305395","2026-04-05","12:13:12",""
"7720575","9.5994","0.0002","11.543","0.0003","14.6201","0.0004","83.387","0.002","72.037","0.002","79.219","0.002","1510.96","0.07","100.01","0.1","100.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C33 H45 Al N2 -","- C33 H45 Al N2 -","- C66 H90 Al2 N4 -","2","1","","de Vere-Tucker, Matthew; Squire, Imogen; Tritto, Michelangelo; Anandkar, Rohil; Syeda, Tayyibah; Uthayan, Divia; Aguila, Gabrielle; Silva de Moraes, Lygia; Bakewell, Clare","Amidines: a deeper look at the archetypal pro-ligand.","Dalton transactions (Cambridge, England : 2003)","2026","55","12","4977","4987","10.1039/d6dt00276e","","x-ray","0.71073","MoKα","","0.0812","0.0514","","","0.127","0.1385","","","","","","1.065","","","","has coordinates","305395","2026-04-05","12:13:12",""
"7720576","10.063","0.0003","17.184","0.0005","18.5068","0.0005","90","","102.313","0.003","90","","3126.63","0.16","293.15","0.1","293.15","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C35 H50 N2 -","- C35 H50 N2 -","- C140 H200 N8 -","4","1","","de Vere-Tucker, Matthew; Squire, Imogen; Tritto, Michelangelo; Anandkar, Rohil; Syeda, Tayyibah; Uthayan, Divia; Aguila, Gabrielle; Silva de Moraes, Lygia; Bakewell, Clare","Amidines: a deeper look at the archetypal pro-ligand.","Dalton transactions (Cambridge, England : 2003)","2026","55","12","4977","4987","10.1039/d6dt00276e","","x-ray","1.54184","CuKα","","0.0737","0.0609","","","0.1604","0.1671","","","","","","1.027","","","","has coordinates,has disorder","305395","2026-04-05","12:13:12",""
"7720577","15.5008","0.0002","23.4406","0.0003","25.4848","0.0003","90","","93.056","0.001","90","","9246.7","0.2","100","0.1","100","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C102 H141 Al3 N6 -","- C102 H141 Al3 N6 -","- C408 H564 Al12 N24 -","4","0.5","","de Vere-Tucker, Matthew; Squire, Imogen; Tritto, Michelangelo; Anandkar, Rohil; Syeda, Tayyibah; Uthayan, Divia; Aguila, Gabrielle; Silva de Moraes, Lygia; Bakewell, Clare","Amidines: a deeper look at the archetypal pro-ligand.","Dalton transactions (Cambridge, England : 2003)","2026","55","12","4977","4987","10.1039/d6dt00276e","","x-ray","0.71073","MoKα","","0.078","0.0527","","","0.1309","0.1411","","","","","","1.046","","","","has coordinates,has disorder","305395","2026-04-05","12:13:12",""
"7720578","23.8685","0.0002","9.2769","0.0001","25.8714","0.0003","90","","98.512","0.001","90","","5665.49","0.1","100","0.1","100","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C60 H96 Al2 N4 -","- C54 H82 Al2 N4 -","- C216 H328 Al8 N16 -","4","0.5","","de Vere-Tucker, Matthew; Squire, Imogen; Tritto, Michelangelo; Anandkar, Rohil; Syeda, Tayyibah; Uthayan, Divia; Aguila, Gabrielle; Silva de Moraes, Lygia; Bakewell, Clare","Amidines: a deeper look at the archetypal pro-ligand.","Dalton transactions (Cambridge, England : 2003)","2026","55","12","4977","4987","10.1039/d6dt00276e","","x-ray","1.54184","CuKα","","0.0448","0.0399","","","0.1084","0.1119","","","","","","1.064","","","","has coordinates","305395","2026-04-05","12:13:12",""
"7720579","17.9252","0.0002","12.267","0.0001","31.3045","0.0003","90","","107.729","0.001","90","","6556.58","0.12","100","0.1","100","0.1","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C37 H52 N2 -","- C37 H52 N2 -","- C296 H416 N16 -","8","1","","de Vere-Tucker, Matthew; Squire, Imogen; Tritto, Michelangelo; Anandkar, Rohil; Syeda, Tayyibah; Uthayan, Divia; Aguila, Gabrielle; Silva de Moraes, Lygia; Bakewell, Clare","Amidines: a deeper look at the archetypal pro-ligand.","Dalton transactions (Cambridge, England : 2003)","2026","55","12","4977","4987","10.1039/d6dt00276e","","x-ray","1.54184","CuKα","","0.052","0.0498","","","0.1209","0.1227","","","","","","1.023","","","","has coordinates,has disorder","305395","2026-04-05","12:13:12",""
"7720580","31.6819","0.0003","12.9437","0.0001","32.8715","0.0004","90","","90.308","0.001","90","","13479.8","0.2","100","0.1","100","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C73 H98 Al2 N4 O0.26 -","- C73 H98 Al2 N4 O0.264 -","- C584 H784 Al16 N32 O2.112 -","8","1","","de Vere-Tucker, Matthew; Squire, Imogen; Tritto, Michelangelo; Anandkar, Rohil; Syeda, Tayyibah; Uthayan, Divia; Aguila, Gabrielle; Silva de Moraes, Lygia; Bakewell, Clare","Amidines: a deeper look at the archetypal pro-ligand.","Dalton transactions (Cambridge, England : 2003)","2026","55","12","4977","4987","10.1039/d6dt00276e","","x-ray","1.54184","CuKα","","0.0572","0.0528","","","0.1421","0.145","","","","","","1.069","","","","has coordinates,has disorder","305395","2026-04-05","12:13:12",""
"7720581","19.094","0.0002","21.9118","0.0002","18.2392","0.0002","90","","117.852","0.001","90","","6746.99","0.13","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C149 H196 Al4 N8 O4 -","- C149 H196 Al4 N8 O4 -","- C298 H392 Al8 N16 O8 -","2","0.5","","de Vere-Tucker, Matthew; Squire, Imogen; Tritto, Michelangelo; Anandkar, Rohil; Syeda, Tayyibah; Uthayan, Divia; Aguila, Gabrielle; Silva de Moraes, Lygia; Bakewell, Clare","Amidines: a deeper look at the archetypal pro-ligand.","Dalton transactions (Cambridge, England : 2003)","2026","55","12","4977","4987","10.1039/d6dt00276e","","x-ray","1.54184","CuKα","","0.0551","0.0515","","","0.1418","0.145","","","","","","1.043","","","","has coordinates,has disorder","305395","2026-04-05","12:13:12",""
"7720582","15.3975","0.0001","35.3854","0.0003","28.9254","0.0002","90","","98.787","0.001","90","","15574.9","0.2","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C136 H201.6 O28.8 P4 Tb4 -","- C136 H201.6 O28.8 P4 Tb4 -","- C544 H806.4 O115.2 P16 Tb16 -","4","1","","Mangundu, Patrick; Ho, Curtis C.; Mole, Richard A.; Korb, Marcus; Fuller, Rebecca O.","Cubane lanthanoid complexes with tridentate [O, PO, O] coordination using tris(5-<i>tert</i>-butyl-2-hydroxyphenyl)-phosphine oxide ligands: synthesis, characterisation, and magnetic behaviour.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5408","5415","10.1039/d5dt02969d","","","1.54184","CuKα","","0.0663","0.0572","","","0.1476","0.1519","","","","","","1.034","","","","has coordinates,has disorder","305373","2026-04-05","12:07:47",""
"7720583","36.6346","0.0006","10.5685","0.0002","34.5274","0.0006","90","","103.025","0.002","90","","13024.1","0.4","99.98","0.1","99.98","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C128 H176 Ho4 O24 P4 -","- C128 H176 Ho4 O24 P4 -","- C512 H704 Ho16 O96 P16 -","4","0.5","","Mangundu, Patrick; Ho, Curtis C.; Mole, Richard A.; Korb, Marcus; Fuller, Rebecca O.","Cubane lanthanoid complexes with tridentate [O, PO, O] coordination using tris(5-<i>tert</i>-butyl-2-hydroxyphenyl)-phosphine oxide ligands: synthesis, characterisation, and magnetic behaviour.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5408","5415","10.1039/d5dt02969d","","","1.54184","CuKα","","0.0682","0.0562","","","0.1551","0.1611","","","","","","1.027","","","","has coordinates","305373","2026-04-05","12:07:47",""
"7720584","15.4291","0.0001","35.2632","0.0003","28.8975","0.0003","90","","98.797","0.001","90","","15537.6","0.2","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C135.43 H201.97 Dy4 O29.34 P4 -","- C135.3 H201.59 Dy4 O29.34 P4 -","- C541.2 H806.36 Dy16 O117.36 P16 -","4","1","","Mangundu, Patrick; Ho, Curtis C.; Mole, Richard A.; Korb, Marcus; Fuller, Rebecca O.","Cubane lanthanoid complexes with tridentate [O, PO, O] coordination using tris(5-<i>tert</i>-butyl-2-hydroxyphenyl)-phosphine oxide ligands: synthesis, characterisation, and magnetic behaviour.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5408","5415","10.1039/d5dt02969d","","","1.54184","CuKα","","0.0527","0.0387","","","0.0936","0.098","","","","","","1.038","","","","has coordinates,has disorder","305373","2026-04-05","12:07:47",""
"7720585","6.8876","0.0006","24.25","0.002","10.5956","0.001","90","","102.284","0.003","90","","1729.2","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(2,7-dimethoxynaphtalene peri-diselenide) tetrachloroferrate","","- C12 H10 Cl4 Fe O2 Se2 -","- C12 H10 Cl4 Fe O2 Se2 -","- C48 H40 Cl16 Fe4 O8 Se8 -","4","1","","Pariyacheri Padikkal, Hrudya; Jeannin, Olivier; Rouzières, Mathieu; Clérac, Rodolphe; Jeon, Ie-Rang; Fourmigué, Marc","Chalcogen bond activation in cation radical salts of naphthalene <i>peri</i>-diselenides with <i>S</i> = 5/2 magnetic anions.","Dalton transactions (Cambridge, England : 2003)","2026","55","14","5511","5518","10.1039/d6dt00277c","","x-ray","0.71073","MoKα","","0.0302","0.0242","","","0.0463","0.0479","","","","","","1.089","","","","has coordinates","305809","2026-05-05","09:13:44",""
"7720586","6.8755","0.0012","10.5581","0.0018","13.307","0.002","109.147","0.005","99.047","0.005","101.95","0.006","865.9","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","(2,7-dimethoxynaphtalene peri-diselenide) tetrachlorogallate","","- C12 H10 Cl4 Ga O2 Se2 -","- C12 H10 Cl4 Ga O2 Se2 -","- C24 H20 Cl8 Ga2 O4 Se4 -","2","1","","Pariyacheri Padikkal, Hrudya; Jeannin, Olivier; Rouzières, Mathieu; Clérac, Rodolphe; Jeon, Ie-Rang; Fourmigué, Marc","Chalcogen bond activation in cation radical salts of naphthalene <i>peri</i>-diselenides with <i>S</i> = 5/2 magnetic anions.","Dalton transactions (Cambridge, England : 2003)","2026","55","14","5511","5518","10.1039/d6dt00277c","","x-ray","0.71073","MoKα","","0.1255","0.1093","","","0.2712","0.2799","","","","","","1.152","","","","has coordinates,has disorder","305809","2026-05-05","09:13:44",""
"7720587","6.8366","0.0008","13.2303","0.0015","19.885","0.002","72.788","0.004","87.095","0.004","84.53","0.004","1709.8","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","(2,7-dimethoxynaphtalene peri-diselenide) tetrachlorogallate","","- C12 H10 Cl4 Ga O2 Se2 -","- C12 H10 Cl4 Ga O2 Se2 -","- C48 H40 Cl16 Ga4 O8 Se8 -","4","2","","Pariyacheri Padikkal, Hrudya; Jeannin, Olivier; Rouzières, Mathieu; Clérac, Rodolphe; Jeon, Ie-Rang; Fourmigué, Marc","Chalcogen bond activation in cation radical salts of naphthalene <i>peri</i>-diselenides with <i>S</i> = 5/2 magnetic anions.","Dalton transactions (Cambridge, England : 2003)","2026","55","14","5511","5518","10.1039/d6dt00277c","","x-ray","0.71073","MoKα","","0.0478","0.0388","","","0.0888","0.0926","","","","","","1.091","","","","has coordinates,has disorder","305809","2026-05-05","09:13:44",""
"7720588","6.921","0.0009","24.702","0.003","10.9454","0.0011","90","","102.557","0.005","90","","1826.5","0.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(2,7-dimethoxynaphtalene peri-diselenide) tetrachlorogallate","","- C12 H10 Br4 Ga O2 Se2 -","- C12 H10 Br4 Ga O2 Se2 -","- C48 H40 Br16 Ga4 O8 Se8 -","4","1","","Pariyacheri Padikkal, Hrudya; Jeannin, Olivier; Rouzières, Mathieu; Clérac, Rodolphe; Jeon, Ie-Rang; Fourmigué, Marc","Chalcogen bond activation in cation radical salts of naphthalene <i>peri</i>-diselenides with <i>S</i> = 5/2 magnetic anions.","Dalton transactions (Cambridge, England : 2003)","2026","55","14","5511","5518","10.1039/d6dt00277c","","x-ray","0.71073","MoKα","","0.045","0.0385","","","0.0739","0.0756","","","","","","1.189","","","","has coordinates","305809","2026-05-05","09:13:44",""
"7720589","6.9157","0.0005","24.6933","0.0019","10.9028","0.0007","90","","102.701","0.003","90","","1816.3","0.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H10 Br4 Fe O2 Se2 -","- C12 H10 Br4 Fe O2 Se2 -","- C48 H40 Br16 Fe4 O8 Se8 -","4","1","","Pariyacheri Padikkal, Hrudya; Jeannin, Olivier; Rouzières, Mathieu; Clérac, Rodolphe; Jeon, Ie-Rang; Fourmigué, Marc","Chalcogen bond activation in cation radical salts of naphthalene <i>peri</i>-diselenides with <i>S</i> = 5/2 magnetic anions.","Dalton transactions (Cambridge, England : 2003)","2026","55","14","5511","5518","10.1039/d6dt00277c","","x-ray","0.71073","MoKα","","0.0376","0.0307","","","0.0661","0.0682","","","","","","1.092","","","","has coordinates","305809","2026-05-05","09:13:44",""
"7720590","8.3136","0.0006","6.532","0.0004","13.3665","0.0009","90","","109.325","0.008","90","","684.96","0.09","100","0.1","100","0.1","","","","","","","","6","C 1 2/m 1","-C 2y","12","","catena-(μ-4,4?-bipyridine-3,3?-diphosphonato)-aqua-magnesium(ii)","","- C5 H5 Mg N O4 P -","- C5 H5 Mg N O4 P -","- C20 H20 Mg4 N4 O16 P4 -","4","0.5","","Ramteke, Prajakta Mohan; Plecháček, Tomáš; Kloda, Matouš; Rohlíček, Jan; Vykydalová, Anna; Melánová, Klára; Bavol, Dmytro; Škoch, Karel; Taddei, Marco; Demel, Jan; Hynek, Jan","Proton-conducting coordination polymers formed from bipyridine phosphonate ligands.","Dalton transactions (Cambridge, England : 2003)","2026","55","14","5622","5634","10.1039/d5dt02997j","","x-ray","1.54184","CuKα","","0.0381","0.0346","","","0.0986","0.1009","","","","","","1.097","","","","has coordinates","305813","2026-05-05","09:14:16",""
"7720591","9.682","0.0002","25.8378","0.0005","8.4367","0.0001","90","","100.935","0.002","90","","2072.22","0.07","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","tetraethyl 4,4?-bipyridine-3,3?-bisphosphonate","","- C18 H26 N2 O6 P2 -","- C18 H26 N2 O6 P2 -","- C72 H104 N8 O24 P8 -","4","1","","Ramteke, Prajakta Mohan; Plecháček, Tomáš; Kloda, Matouš; Rohlíček, Jan; Vykydalová, Anna; Melánová, Klára; Bavol, Dmytro; Škoch, Karel; Taddei, Marco; Demel, Jan; Hynek, Jan","Proton-conducting coordination polymers formed from bipyridine phosphonate ligands.","Dalton transactions (Cambridge, England : 2003)","2026","55","14","5622","5634","10.1039/d5dt02997j","","x-ray","1.54184","CuKα","","0.0555","0.0532","","","0.1502","0.1526","","","","","","1.064","","","","has coordinates,has disorder","305813","2026-05-05","09:14:16",""
"7720592","13.687","0.0016","26.63","0.05","26.88","0.03","90","","89.96","0.03","90","","9797","2","99.99","0.1","99.99","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","catena-(μ-4,4?-bipyridine-3,3?,5,5?-tetraphosphonato)-aqua-calcium(II)","","- C40 H79 Ca9 N8 O75.5 P16 -","- C40 H58 Ca9 N8 O65 P16 -","- C160 H232 Ca36 N32 O260 P64 -","4","1","","Ramteke, Prajakta Mohan; Plecháček, Tomáš; Kloda, Matouš; Rohlíček, Jan; Vykydalová, Anna; Melánová, Klára; Bavol, Dmytro; Škoch, Karel; Taddei, Marco; Demel, Jan; Hynek, Jan","Proton-conducting coordination polymers formed from bipyridine phosphonate ligands.","Dalton transactions (Cambridge, England : 2003)","2026","55","14","5622","5634","10.1039/d5dt02997j","","x-ray","1.54184","CuKα","","0.243","0.1358","","","0.3313","0.4053","","","","","","1.087","","","","has coordinates,has disorder","305813","2026-05-05","09:14:16",""
"7720593","6.33764","0.00004","7.84629","0.00007","19.29804","0.00017","90","","90","","90","","959.633","0.013","293","","293","","","","","","","","","6","P m n a","-P 2ac 2","53","","catena-(μ-4,4'-bipyridine-3,3'-diphosphonato)-oxalato-aqua-aluminium(iii) hydrate","","- C7 H3 Al N O8.4611 P -","- C7 H3 Al N O8.461 P -","- C28 H12 Al4 N4 O33.844 P4 -","4","0.5","","Ramteke, Prajakta Mohan; Plecháček, Tomáš; Kloda, Matouš; Rohlíček, Jan; Vykydalová, Anna; Melánová, Klára; Bavol, Dmytro; Škoch, Karel; Taddei, Marco; Demel, Jan; Hynek, Jan","Proton-conducting coordination polymers formed from bipyridine phosphonate ligands.","Dalton transactions (Cambridge, England : 2003)","2026","55","14","5622","5634","10.1039/d5dt02997j","powder diffraction","x-ray","1.54187","CuKα","","0.0585","0.0585","","0.0704","0.0704","","","","3.8872","","","","","","","has coordinates","305813","2026-05-05","09:14:16",""
"7720594","9.6561","0.0003","11.9401","0.0004","9.8357","0.0003","90","","103.193","0.001","90","","1104.08","0.06","100","2","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H27 N2 P Si2 -","- C21 H27 N2 P Si2 -","- C42 H54 N4 P2 Si4 -","2","1","","Kopp, Richard O.; Coles, Nathan T.; Ernst, Moritz J.; Weber, Manuela; Ward, Benjamin D.; Müller, Christian","Janus-faced coordination chemistry of pyridyl-functionalized phosphinines with Cu(I) and Au(I).","Dalton transactions (Cambridge, England : 2003)","2026","55","15","5908","5919","10.1039/d6dt00083e","","","0.71073","MoKα","","0.0468","0.032","","","0.0652","0.0739","","","","","","1.084","","","","has coordinates","305833","2026-05-05","09:19:36",""
"7720595","10.2249","0.0003","18.1799","0.0005","13.0915","0.0004","90","","94.3915","0.0011","90","","2426.4","0.12","100","2","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H54 Cu2 I2 N4 P2 Si4 -","- C42 H54 Cu2 I2 N4 P2 Si4 -","- C84 H108 Cu4 I4 N8 P4 Si8 -","2","0.5","","Kopp, Richard O.; Coles, Nathan T.; Ernst, Moritz J.; Weber, Manuela; Ward, Benjamin D.; Müller, Christian","Janus-faced coordination chemistry of pyridyl-functionalized phosphinines with Cu(I) and Au(I).","Dalton transactions (Cambridge, England : 2003)","2026","55","15","5908","5919","10.1039/d6dt00083e","","","0.71073","MoKα","","0.0327","0.0244","","","0.0537","0.057","","","","","","1.098","","","","has coordinates","305833","2026-05-05","09:19:36",""
"7720596","14.0895","0.0003","14.0895","0.0003","21.3068","0.0006","90","","90","","90","","4229.7","0.17","100","2","100","","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C10 H13 N Si -","- C10 H13 N Si -","- C160 H208 N16 Si16 -","16","1","","Kopp, Richard O.; Coles, Nathan T.; Ernst, Moritz J.; Weber, Manuela; Ward, Benjamin D.; Müller, Christian","Janus-faced coordination chemistry of pyridyl-functionalized phosphinines with Cu(I) and Au(I).","Dalton transactions (Cambridge, England : 2003)","2026","55","15","5908","5919","10.1039/d6dt00083e","","","0.71073","MoKα","","0.033","0.0305","","","0.0837","0.0853","","","","","","1.06","","","","has coordinates","305833","2026-05-05","09:19:36",""
"7720597","9.1844","0.0004","13.2583","0.0005","34.4803","0.0014","90","","90","","90","","4198.6","0.3","132","","132","","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C27 H41 Au Cl5 F12 N2 P3 Si2 -","- C27 H41 Au Cl5 F12 N2 P3 Si2 -","- C108 H164 Au4 Cl20 F48 N8 P12 Si8 -","4","0.5","","Kopp, Richard O.; Coles, Nathan T.; Ernst, Moritz J.; Weber, Manuela; Ward, Benjamin D.; Müller, Christian","Janus-faced coordination chemistry of pyridyl-functionalized phosphinines with Cu(I) and Au(I).","Dalton transactions (Cambridge, England : 2003)","2026","55","15","5908","5919","10.1039/d6dt00083e","","","0.71073","MoKα","","0.0576","0.0549","","","0.16","0.1624","","","","","","1.122","","","","has coordinates,has disorder","305833","2026-05-05","09:19:36",""
"7720598","11.9412","0.0003","20.8529","0.0006","10.5592","0.0003","90","","94.561","0.001","90","","2621.01","0.12","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H30 Cl Cu N3 P Si2 -","- C23 H30 Cl Cu N3 P Si2 -","- C92 H120 Cl4 Cu4 N12 P4 Si8 -","4","1","","Kopp, Richard O.; Coles, Nathan T.; Ernst, Moritz J.; Weber, Manuela; Ward, Benjamin D.; Müller, Christian","Janus-faced coordination chemistry of pyridyl-functionalized phosphinines with Cu(I) and Au(I).","Dalton transactions (Cambridge, England : 2003)","2026","55","15","5908","5919","10.1039/d6dt00083e","","","0.71073","MoKα","","0.03","0.0274","","","0.0673","0.0687","","","","","","1.117","","","","has coordinates","305833","2026-05-05","09:19:36",""
"7720599","13.5374","0.0004","10.5021","0.0003","19.535","0.0006","90","","90.276","0.001","90","","2777.28","0.14","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H27 Br3 Cu3 N2 P Si2 -","- C21 H27 Br3 Cu3 N2 P Si2 -","- C84 H108 Br12 Cu12 N8 P4 Si8 -","4","1","","Kopp, Richard O.; Coles, Nathan T.; Ernst, Moritz J.; Weber, Manuela; Ward, Benjamin D.; Müller, Christian","Janus-faced coordination chemistry of pyridyl-functionalized phosphinines with Cu(I) and Au(I).","Dalton transactions (Cambridge, England : 2003)","2026","55","15","5908","5919","10.1039/d6dt00083e","","","0.71073","MoKα","","0.0241","0.0192","","","0.0427","0.0452","","","","","","1.03","","","","has coordinates","305833","2026-05-05","09:19:36",""
"7720600","9.994","0.0003","18.2047","0.0006","13.0124","0.0004","90","","94.1464","0.0012","90","","2361.25","0.13","100","2","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C21 H27 Br Cu N2 P Si2 -","- C21 H27 Br Cu N2 P Si2 -","- C84 H108 Br4 Cu4 N8 P4 Si8 -","4","1","","Kopp, Richard O.; Coles, Nathan T.; Ernst, Moritz J.; Weber, Manuela; Ward, Benjamin D.; Müller, Christian","Janus-faced coordination chemistry of pyridyl-functionalized phosphinines with Cu(I) and Au(I).","Dalton transactions (Cambridge, England : 2003)","2026","55","15","5908","5919","10.1039/d6dt00083e","","","0.71073","MoKα","","0.0464","0.0301","","","0.0654","0.0771","","","","","","1.07","","","","has coordinates","305833","2026-05-05","09:19:36",""
"7720601","16.3574","0.0006","12.6752","0.0005","16.8576","0.0007","90","","96.159","0.002","90","","3475","0.2","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H39 I2 N4 P Si2 -","- C27 H39 I2 N4 P Si2 -","- C108 H156 I8 N16 P4 Si8 -","4","1","","Kopp, Richard O.; Coles, Nathan T.; Ernst, Moritz J.; Weber, Manuela; Ward, Benjamin D.; Müller, Christian","Janus-faced coordination chemistry of pyridyl-functionalized phosphinines with Cu(I) and Au(I).","Dalton transactions (Cambridge, England : 2003)","2026","55","15","5908","5919","10.1039/d6dt00083e","","","0.71073","MoKα","","0.0767","0.0574","","","0.0887","0.0959","","","","","","1.166","","","","has coordinates","305833","2026-05-05","09:19:36",""
"7720602","12.2352","0.0007","18.7065","0.0009","13.3799","0.0007","90","","103.583","0.002","90","","2976.7","0.3","119","2","119","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C23 H30 Br2 Cu2 N3 P Si2 -","- C23 H30 Br2 Cu2 N3 P Si2 -","- C92 H120 Br8 Cu8 N12 P4 Si8 -","4","1","","Kopp, Richard O.; Coles, Nathan T.; Ernst, Moritz J.; Weber, Manuela; Ward, Benjamin D.; Müller, Christian","Janus-faced coordination chemistry of pyridyl-functionalized phosphinines with Cu(I) and Au(I).","Dalton transactions (Cambridge, England : 2003)","2026","55","15","5908","5919","10.1039/d6dt00083e","","","0.71073","MoKα","","0.0313","0.0256","","","0.0619","0.0649","","","","","","1.025","","","","has coordinates","305833","2026-05-05","09:19:36",""
"7720603","9.641","0.0004","11.0679","0.0005","12.709","0.0005","100.019","0.002","107.693","0.001","106.596","0.001","1186.57","0.09","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C21 H27 Au Br0.7 Cl0.3 N2 P Si2 -","- C21 H27 Au Br0.704 Cl0.296 N2 P Si2 -","- C42 H54 Au2 Br1.408 Cl0.592 N4 P2 Si4 -","2","1","","Kopp, Richard O.; Coles, Nathan T.; Ernst, Moritz J.; Weber, Manuela; Ward, Benjamin D.; Müller, Christian","Janus-faced coordination chemistry of pyridyl-functionalized phosphinines with Cu(I) and Au(I).","Dalton transactions (Cambridge, England : 2003)","2026","55","15","5908","5919","10.1039/d6dt00083e","","","0.71073","MoKα","","0.0184","0.0167","","","0.0387","0.0401","","","","","","1.1","","","","has coordinates,has disorder","305833","2026-05-05","09:19:36",""
"7720604","6.5266","0.0003","12.357","0.0005","19.5307","0.0008","90.607","0.002","95.55","0.002","102.463","0.002","1530.01","0.11","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C25 H35 F6 N3 P2 Si2 -","- C25 H35 F6 N3 P2 Si2 -","- C50 H70 F12 N6 P4 Si4 -","2","1","","Kopp, Richard O.; Coles, Nathan T.; Ernst, Moritz J.; Weber, Manuela; Ward, Benjamin D.; Müller, Christian","Janus-faced coordination chemistry of pyridyl-functionalized phosphinines with Cu(I) and Au(I).","Dalton transactions (Cambridge, England : 2003)","2026","55","15","5908","5919","10.1039/d6dt00083e","","","0.71073","MoKα","","0.0552","0.0454","","","0.0952","0.1017","","","","","","1.051","","","","has coordinates","305833","2026-05-05","09:19:36",""
"7720605","13.0384","0.0006","9.1095","0.0005","28.3352","0.0015","90","","102.279","0.002","90","","3288.5","0.3","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H37 F12 N2 P3 Si2 -","- C25 H37 F12 N2 P3 Si2 -","- C100 H148 F48 N8 P12 Si8 -","4","1","","Kopp, Richard O.; Coles, Nathan T.; Ernst, Moritz J.; Weber, Manuela; Ward, Benjamin D.; Müller, Christian","Janus-faced coordination chemistry of pyridyl-functionalized phosphinines with Cu(I) and Au(I).","Dalton transactions (Cambridge, England : 2003)","2026","55","15","5908","5919","10.1039/d6dt00083e","","","0.71073","MoKα","","0.0424","0.038","","","0.0933","0.0962","","","","","","1.065","","","","has coordinates,has disorder","305833","2026-05-05","09:19:36",""
"7720606","9.0458","0.0003","11.4454","0.0003","12.9865","0.0004","72.811","0.002","77.128","0.002","86.718","0.002","1252.14","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H48 N2 O10 Zn -","- C62 H48 N2 O10 Zn -","- C62 H48 N2 O10 Zn -","1","0.5","","Zhu, Jing; Zhang, Yumeng; Zhang, Juanle; Liu, Changchun; Ma, Xiaoxing; Ma, Junan","Blue-light-driven aerobic oxidation <i>via</i> a superoxide radical-generating zinc(II)-organic framework photocatalyst.","Dalton transactions (Cambridge, England : 2003)","2026","55","12","4917","4923","10.1039/d5dt02529j","","x-ray","1.54184","CuKα","","0.0861","0.0752","","","0.2154","0.2253","","","","","","1.063","","","","has coordinates","305391","2026-04-05","12:12:01",""
"7720607","20.0326","0.0007","6.5977","0.0003","7.6438","0.0002","90","","107.22","0.002","90","","964.99","0.06","296","","296","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- Nb2 O12 S Te2 -","- Nb2 O12 S Te2 -","- Nb8 O48 S4 Te8 -","4","1","","Xu, Jingsha; Zhang, Xiaofeng; Chen, Shanshan; Wang, Weiyi; Qiu, Wenbo; Cai, Weizhao; Zhou, Liujiang","Double second-order Jahn-Teller strategy driven NLO response in sulfate crystal Nb<sub>2</sub>O<sub>2</sub>(TeO<sub>3</sub>)<sub>2</sub>(SO<sub>4</sub>) with a large birefringence.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5189","5196","10.1039/d5dt03078a","","","0.71073","MoKα","","0.0359","0.0288","","","0.0629","0.0662","","","","","","1.008","","","","has coordinates,has disorder","305370","2026-04-05","12:06:44",""
"7720608","6.7452","0.0002","7.397","0.0002","21.8094","0.0004","90","","90","","90","","1088.16","0.05","297","","297","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- P2 Rb Se6 Tm -","- P2 Rb Se6 Tm -","- P8 Rb4 Se24 Tm4 -","4","1","","Kashem, Habiba Binte; Muhit, Md Abdullah Al; Smith, Hope Eden; Gabilondo, Eric A.; Halasyamani, P. Shiv; Zur Loye, Hans-Conrad","Centrosymmetric to noncentrosymmetric structure transition of the RbREP<sub>2</sub>Se<sub>6</sub> (RE = La-Nd, Sm, Ho-Yb) series: crystal growth, magnetic and optical properties.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5388","5396","10.1039/d6dt00254d","","","0.71073","MoKα","","0.0646","0.0452","","","0.0899","0.0967","","","","","","1.131","","","","has coordinates","305806","2026-05-05","09:13:12",""
"7720609","6.8411","0.0001","7.5436","0.0001","21.8006","0.0004","90","","90","","90","","1125.05","0.03","297","","297","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- Nd P2 Rb Se6 -","- Nd P2 Rb Se6 -","- Nd4 P8 Rb4 Se24 -","4","1","","Kashem, Habiba Binte; Muhit, Md Abdullah Al; Smith, Hope Eden; Gabilondo, Eric A.; Halasyamani, P. Shiv; Zur Loye, Hans-Conrad","Centrosymmetric to noncentrosymmetric structure transition of the RbREP<sub>2</sub>Se<sub>6</sub> (RE = La-Nd, Sm, Ho-Yb) series: crystal growth, magnetic and optical properties.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5388","5396","10.1039/d6dt00254d","","","0.71073","MoKα","","0.03","0.0219","","","0.0305","0.0322","","","","","","1.056","","","","has coordinates","305806","2026-05-05","09:13:12",""
"7720610","6.7682","0.0002","7.4233","0.0003","21.8013","0.0007","90","","90","","90","","1095.35","0.07","297","","297","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- Ho P2 Rb Se6 -","- Ho P2 Rb Se6 -","- Ho4 P8 Rb4 Se24 -","4","1","","Kashem, Habiba Binte; Muhit, Md Abdullah Al; Smith, Hope Eden; Gabilondo, Eric A.; Halasyamani, P. Shiv; Zur Loye, Hans-Conrad","Centrosymmetric to noncentrosymmetric structure transition of the RbREP<sub>2</sub>Se<sub>6</sub> (RE = La-Nd, Sm, Ho-Yb) series: crystal growth, magnetic and optical properties.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5388","5396","10.1039/d6dt00254d","","","0.71073","MoKα","","0.0453","0.0386","","","0.0765","0.0788","","","","","","1.152","","","","has coordinates","305806","2026-05-05","09:13:12",""
"7720611","12.6533","0.0003","7.7525","0.0002","11.9377","0.0003","90","","108.132","0.001","90","","1112.87","0.05","297","","297","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Ce P2 Rb Se6 -","- Ce P2 Rb Se6 -","- Ce4 P8 Rb4 Se24 -","4","1","","Kashem, Habiba Binte; Muhit, Md Abdullah Al; Smith, Hope Eden; Gabilondo, Eric A.; Halasyamani, P. Shiv; Zur Loye, Hans-Conrad","Centrosymmetric to noncentrosymmetric structure transition of the RbREP<sub>2</sub>Se<sub>6</sub> (RE = La-Nd, Sm, Ho-Yb) series: crystal growth, magnetic and optical properties.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5388","5396","10.1039/d6dt00254d","","","0.71073","MoKα","","0.0454","0.0282","","","0.0482","0.0529","","","","","","1.057","","","","has coordinates","305806","2026-05-05","09:13:12",""
"7720612","12.6467","0.0002","7.7221","0.0001","11.9189","0.0002","90","","107.931","0.001","90","","1107.45","0.03","297","","297","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- P2 Pr Rb Se6 -","- P2 Pr Rb Se6 -","- P8 Pr4 Rb4 Se24 -","4","1","","Kashem, Habiba Binte; Muhit, Md Abdullah Al; Smith, Hope Eden; Gabilondo, Eric A.; Halasyamani, P. Shiv; Zur Loye, Hans-Conrad","Centrosymmetric to noncentrosymmetric structure transition of the RbREP<sub>2</sub>Se<sub>6</sub> (RE = La-Nd, Sm, Ho-Yb) series: crystal growth, magnetic and optical properties.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5388","5396","10.1039/d6dt00254d","","","0.71073","MoKα","","0.0274","0.0194","","","0.033","0.0347","","","","","","1.074","","","","has coordinates","305806","2026-05-05","09:13:12",""
"7720613","6.8185","0.0001","7.5083","0.0002","21.7858","0.0004","90","","90","","90","","1115.33","0.04","297","","297","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- P2 Rb Se6 Sm -","- P2 Rb Se6 Sm -","- P8 Rb4 Se24 Sm4 -","4","1","","Kashem, Habiba Binte; Muhit, Md Abdullah Al; Smith, Hope Eden; Gabilondo, Eric A.; Halasyamani, P. Shiv; Zur Loye, Hans-Conrad","Centrosymmetric to noncentrosymmetric structure transition of the RbREP<sub>2</sub>Se<sub>6</sub> (RE = La-Nd, Sm, Ho-Yb) series: crystal growth, magnetic and optical properties.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5388","5396","10.1039/d6dt00254d","","","0.71073","MoKα","","0.0476","0.0271","","","0.0325","0.0351","","","","","","1.035","","","","has coordinates","305806","2026-05-05","09:13:12",""
"7720614","12.6684","0.0003","7.7899","0.0002","11.9771","0.0003","90","","108.359","0.001","90","","1121.81","0.05","297","","297","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- La P2 Rb Se6 -","- La P2 Rb Se6 -","- La4 P8 Rb4 Se24 -","4","1","","Kashem, Habiba Binte; Muhit, Md Abdullah Al; Smith, Hope Eden; Gabilondo, Eric A.; Halasyamani, P. Shiv; Zur Loye, Hans-Conrad","Centrosymmetric to noncentrosymmetric structure transition of the RbREP<sub>2</sub>Se<sub>6</sub> (RE = La-Nd, Sm, Ho-Yb) series: crystal growth, magnetic and optical properties.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5388","5396","10.1039/d6dt00254d","","","0.71073","MoKα","","0.0332","0.0225","","","0.0465","0.0499","","","","","","1.034","","","","has coordinates","305806","2026-05-05","09:13:12",""
"7720615","6.7564","0.0003","7.4097","0.0003","21.8121","0.001","90","","90","","90","","1091.98","0.08","297","","297","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- Er P2 Rb Se6 -","- Er P2 Rb Se6 -","- Er4 P8 Rb4 Se24 -","4","1","","Kashem, Habiba Binte; Muhit, Md Abdullah Al; Smith, Hope Eden; Gabilondo, Eric A.; Halasyamani, P. Shiv; Zur Loye, Hans-Conrad","Centrosymmetric to noncentrosymmetric structure transition of the RbREP<sub>2</sub>Se<sub>6</sub> (RE = La-Nd, Sm, Ho-Yb) series: crystal growth, magnetic and optical properties.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5388","5396","10.1039/d6dt00254d","","","0.71073","MoKα","","0.0192","0.0167","","","0.0303","0.0309","","","","","","1.06","","","","has coordinates","305806","2026-05-05","09:13:12",""
"7720616","6.7364","0.0001","7.3865","0.0001","21.8158","0.0003","90","","90","","90","","1085.52","0.03","297","","297","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- P2 Rb Se6 Yb -","- P2 Rb Se6 Yb -","- P8 Rb4 Se24 Yb4 -","4","1","","Kashem, Habiba Binte; Muhit, Md Abdullah Al; Smith, Hope Eden; Gabilondo, Eric A.; Halasyamani, P. Shiv; Zur Loye, Hans-Conrad","Centrosymmetric to noncentrosymmetric structure transition of the RbREP<sub>2</sub>Se<sub>6</sub> (RE = La-Nd, Sm, Ho-Yb) series: crystal growth, magnetic and optical properties.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5388","5396","10.1039/d6dt00254d","","","0.71073","MoKα","","0.026","0.0203","","","0.0321","0.0336","","","","","","1.121","","","","has coordinates","305806","2026-05-05","09:13:12",""
"7720617","9.6079","0.0002","10.8332","0.0003","11.6499","0.0003","85.649","0.001","71.736","0.001","74.347","0.001","1108.73","0.05","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C44 H70 Cl4 N2 Zn2 -","- C44 H70 Cl4 N2 Zn2 -","- C44 H70 Cl4 N2 Zn2 -","1","0.5","","Mitra, Mousree; Mrózek, Ondřej; Belyaev, Andrey; Janiak, Lars; Marian, Christel M.; Steffen, Andreas","Synthesis, structural characterization and rigidity dependent dual phosphorescence behavior of high-energy phosphorescent zinc(II) cyclic (alkyl)(amino)carbene complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","14","5519","5528","10.1039/d6dt00177g","","","0.71073","MoKα","","0.0188","0.0181","","","0.0463","0.0467","","","","","","1.045","","","","has coordinates","305820","2026-05-05","09:17:20",""
"7720618","9.7009","0.0003","11.0231","0.0004","17.5518","0.0006","90.022","0.001","98.147","0.001","95.831","0.001","1848.12","0.11","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H47 Cl N2 O Zn -","- C36 H47 Cl N2 O Zn -","- C72 H94 Cl2 N4 O2 Zn2 -","2","1","","Mitra, Mousree; Mrózek, Ondřej; Belyaev, Andrey; Janiak, Lars; Marian, Christel M.; Steffen, Andreas","Synthesis, structural characterization and rigidity dependent dual phosphorescence behavior of high-energy phosphorescent zinc(II) cyclic (alkyl)(amino)carbene complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","14","5519","5528","10.1039/d6dt00177g","","","0.71073","MoKα","","0.0372","0.0313","","","0.0776","0.0802","","","","","","1.058","","","","has coordinates","305820","2026-05-05","09:17:20",""
"7720619","9.2141","0.0015","9.3711","0.0018","13.198","0.002","98.071","0.007","90.623","0.007","91.769","0.007","1127.6","0.3","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H35 Cl2 N Zn -","- C23 H35 Cl2 N Zn -","- C46 H70 Cl4 N2 Zn2 -","2","1","","Mitra, Mousree; Mrózek, Ondřej; Belyaev, Andrey; Janiak, Lars; Marian, Christel M.; Steffen, Andreas","Synthesis, structural characterization and rigidity dependent dual phosphorescence behavior of high-energy phosphorescent zinc(II) cyclic (alkyl)(amino)carbene complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","14","5519","5528","10.1039/d6dt00177g","","","0.71073","MoKα","","0.1192","0.1056","","","0.2858","0.294","","","","","","1.165","","","","has coordinates","305820","2026-05-05","09:17:20",""
"7720620","32.9419","0.0008","14.0164","0.0003","31.9005","0.0008","90","","112.736","0.001","90","","13584.8","0.6","100","","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C128 H124 B2 Cl6 F40 N4 Zn4 -","- C128 H124 B2 Cl6 F40 N4 Zn4 -","- C512 H496 B8 Cl24 F160 N16 Zn16 -","4","0.5","","Mitra, Mousree; Mrózek, Ondřej; Belyaev, Andrey; Janiak, Lars; Marian, Christel M.; Steffen, Andreas","Synthesis, structural characterization and rigidity dependent dual phosphorescence behavior of high-energy phosphorescent zinc(II) cyclic (alkyl)(amino)carbene complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","14","5519","5528","10.1039/d6dt00177g","","","0.71073","MoKα","","0.0403","0.0335","","","0.0882","0.0918","","","","","","1.038","","","","has coordinates","305820","2026-05-05","09:17:20",""
"7720621","9.1146","0.0003","16.5666","0.0006","16.9064","0.0006","90","","102.219","0.002","90","","2495","0.15","100","2","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H38 Cl N O2 Zn -","- C25 H38 Cl N O2 Zn -","- C100 H152 Cl4 N4 O8 Zn4 -","4","1","","Mitra, Mousree; Mrózek, Ondřej; Belyaev, Andrey; Janiak, Lars; Marian, Christel M.; Steffen, Andreas","Synthesis, structural characterization and rigidity dependent dual phosphorescence behavior of high-energy phosphorescent zinc(II) cyclic (alkyl)(amino)carbene complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","14","5519","5528","10.1039/d6dt00177g","","","0.71073","MoKα","","0.0334","0.0272","","","0.0635","0.0662","","","","","","1.045","","","","has coordinates","305820","2026-05-05","09:17:20",""
"7720622","14.6733","0.0009","11.6822","0.0007","16.1462","0.0008","90","","102.661","0.002","90","","2700.4","0.3","100","2","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H43 Br2 N O Zn -","- C26 H43 Br2 N O Zn -","- C104 H172 Br8 N4 O4 Zn4 -","4","1","","Mitra, Mousree; Mrózek, Ondřej; Belyaev, Andrey; Janiak, Lars; Marian, Christel M.; Steffen, Andreas","Synthesis, structural characterization and rigidity dependent dual phosphorescence behavior of high-energy phosphorescent zinc(II) cyclic (alkyl)(amino)carbene complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","14","5519","5528","10.1039/d6dt00177g","","","0.71073","MoKα","","0.0282","0.0229","","","0.0563","0.0577","","","","","","1.046","","","","has coordinates","305820","2026-05-05","09:17:20",""
"7720623","32.9862","0.0012","14.0098","0.0006","32.2452","0.0013","90","","112.393","0.001","90","","13777.8","1","100","2","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C128 H124 B2 Br6 F40 N4 Zn4 -","- C128 H124 B2 Br6 F40 N4 Zn4 -","- C512 H496 B8 Br24 F160 N16 Zn16 -","4","0.5","","Mitra, Mousree; Mrózek, Ondřej; Belyaev, Andrey; Janiak, Lars; Marian, Christel M.; Steffen, Andreas","Synthesis, structural characterization and rigidity dependent dual phosphorescence behavior of high-energy phosphorescent zinc(II) cyclic (alkyl)(amino)carbene complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","14","5519","5528","10.1039/d6dt00177g","","","0.71073","MoKα","","0.0391","0.0307","","","0.0775","0.0812","","","","","","1.039","","","","has coordinates","305820","2026-05-05","09:17:20",""
"7720624","20.4042","0.0006","29.9585","0.0006","47.0638","0.0012","90","","90","","90","","28769.1","1.3","100","","100","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C141 H152 B2 Br6 F40 N4 Zn4 -","- C141 H152 B2 Br6 F40 N4 Zn4 -","- C1128 H1216 B16 Br48 F320 N32 Zn32 -","8","1","","Mitra, Mousree; Mrózek, Ondřej; Belyaev, Andrey; Janiak, Lars; Marian, Christel M.; Steffen, Andreas","Synthesis, structural characterization and rigidity dependent dual phosphorescence behavior of high-energy phosphorescent zinc(II) cyclic (alkyl)(amino)carbene complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","14","5519","5528","10.1039/d6dt00177g","","","0.71073","MoKα","","0.0872","0.0542","","","0.1292","0.1452","","","","","","1.037","","","","has coordinates,has disorder","305820","2026-05-05","09:17:20",""
"7720625","7.2036","0.0005","10.2696","0.0007","11.0023","0.0008","90","","90","","90","","813.93","0.1","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Copper glutamate","","- C5 H11 Cu N O6 -","- C5 H11 Cu N O6 -","- C20 H44 Cu4 N4 O24 -","4","1","","Arunkumar, Gunasekaran; Arumugam, Monisha; Mariappan, Mariappan; Benedict, Balakrishnan Anna; Anthony, Savarimuthu Philip","Enhancing the bifunctional and overall water splitting electrocatalytic activity of copper MOFs by integrating conductive rGO.","Dalton transactions (Cambridge, England : 2003)","2026","55","14","5635","5643","10.1039/d5dt02903a","","","1.5418","CuKα","","0.017","0.017","","0.0174","0.0174","0.0173","","","","","","1.0563","","","","has coordinates","305814","2026-05-05","09:14:21",""
"7720626","10.5426","0.0012","7.6257","0.0009","12.224","0.0013","90","","97.387","0.002","90","","974.59","0.19","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H16 Cl2 Cu N8 O10 -","- C10 H16 Cl2 Cu N8 O10 -","- C20 H32 Cl4 Cu2 N16 O20 -","2","0.5","","Zhang, Chao; Wang, Tingwei; Li, Shaoqun; Lu, Zujia; Li, Cong; Xu, Meiqi; Zhao, Binshan; Yu, Qiyao; Zhang, Jianguo","Position-oriented <i>N</i>-methylation engineering: multidimensional regulation of energy-safety balance in energetic copper complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","14","5591","5601","10.1039/d6dt00365f","","","0.71073","MoKα","","0.0393","0.0335","","","0.091","0.0937","","","","","","1.074","","","","has coordinates","305810","2026-05-05","09:13:53",""
"7720627","7.2382","0.0004","15.0414","0.0017","18.6792","0.0011","90","","90","","90","","2033.7","0.3","122.1","0.1","122.1","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C10 H16 Cl2 Cu N8 O10 -","- C10 H16 Cl2 Cu N8 O10 -","- C40 H64 Cl8 Cu4 N32 O40 -","4","0.5","","Zhang, Chao; Wang, Tingwei; Li, Shaoqun; Lu, Zujia; Li, Cong; Xu, Meiqi; Zhao, Binshan; Yu, Qiyao; Zhang, Jianguo","Position-oriented <i>N</i>-methylation engineering: multidimensional regulation of energy-safety balance in energetic copper complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","14","5591","5601","10.1039/d6dt00365f","","x-ray","1.54184","CuKα","","0.0488","0.0426","","","0.1186","0.1261","","","","","","1.059","","","","has coordinates","305810","2026-05-05","09:13:53",""
"7720628","7.5238","0.0006","7.7132","0.0007","9.2288","0.0009","99.585","0.003","98.663","0.003","96.642","0.002","516.6","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H20 Cl2 Cu N8 O10 -","- C12 H20 Cl2 Cu N8 O10 -","- C12 H20 Cl2 Cu N8 O10 -","1","0.5","","Zhang, Chao; Wang, Tingwei; Li, Shaoqun; Lu, Zujia; Li, Cong; Xu, Meiqi; Zhao, Binshan; Yu, Qiyao; Zhang, Jianguo","Position-oriented <i>N</i>-methylation engineering: multidimensional regulation of energy-safety balance in energetic copper complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","14","5591","5601","10.1039/d6dt00365f","","","0.71073","MoKα","","0.0856","0.0654","","","0.1582","0.1671","","","","","","1.054","","","","has coordinates","305810","2026-05-05","09:13:53",""
"7720629","7.1171","0.0009","7.7155","0.0008","10.8431","0.0013","99.405","0.009","96.746","0.01","98.364","0.01","575.05","0.12","115.95","0.1","115.95","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C12 H24 Cl2 Cu N8 O12 -","- C12 H24 Cl2 Cu N8 O12 -","- C12 H24 Cl2 Cu N8 O12 -","1","0.5","","Zhang, Chao; Wang, Tingwei; Li, Shaoqun; Lu, Zujia; Li, Cong; Xu, Meiqi; Zhao, Binshan; Yu, Qiyao; Zhang, Jianguo","Position-oriented <i>N</i>-methylation engineering: multidimensional regulation of energy-safety balance in energetic copper complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","14","5591","5601","10.1039/d6dt00365f","","x-ray","0.71073","MoKα","","0.0557","0.0463","","","0.1055","0.114","","","","","","1.083","","","","has coordinates","305810","2026-05-05","09:13:53",""
"7720630","10.86131","0.00013","10.86131","0.00013","38.0616","0.0005","90","","90","","120","","3888.5","0.08","293","","293","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","Ca9.709Eu0.494V6.9Mo0.1O28","","","- Ca9.709 Eu0.494 Mo0.1 O28 V6.9 -","- Ca9.7089 Eu0.4941 Mo0.1001 O28 V6.8999 -","- Ca58.2534 Eu2.9646 Mo0.6006 O168 V41.3994 -","6","0.333333","","V V, Titkov; E V, Latipov; O V, Baryshnikova; F D, Fedyunin; D V, Deyneko; B I, Lazoryak","Influence of anionic substitutions on the nonlinear optical and luminescent properties of Ca<sub>9.75</sub>Eu<sub>0.5</sub>(VO<sub>4</sub>)<sub>7</sub>.","Dalton transactions (Cambridge, England : 2003)","2026","55","14","5689","5699","10.1039/d5dt02750k","powder diffraction","x-ray","1.54187","CuKα","","0.0762","0.0718","","0.0747","0.0742","","","","2.15","","","","","","","has coordinates","305821","2026-05-05","09:17:42",""
"7720631","10.8381","0.0002","10.8381","0.0002","38.0483","0.001","90","","90","","120","","3870.55","0.14","293","","293","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","Ca9.718Eu0.521V6.9Ta0.1O28","","","- Ca9.718 Eu0.521 O28 Ta0.1 V6.9 -","- Ca9.7181 Eu0.5211 O28 Ta0.0999 V6.9001 -","- Ca58.3086 Eu3.1266 O168 Ta0.5994 V41.4006 -","6","0.333333","","V V, Titkov; E V, Latipov; O V, Baryshnikova; F D, Fedyunin; D V, Deyneko; B I, Lazoryak","Influence of anionic substitutions on the nonlinear optical and luminescent properties of Ca<sub>9.75</sub>Eu<sub>0.5</sub>(VO<sub>4</sub>)<sub>7</sub>.","Dalton transactions (Cambridge, England : 2003)","2026","55","14","5689","5699","10.1039/d5dt02750k","powder diffraction","x-ray","1.54187","CuKα","","0.0813","0.074","","0.0768","0.0758","","","","2.62","","","","","","","has coordinates","305821","2026-05-05","09:17:42",""
"7720632","10.8402","0.0002","10.8402","0.0002","38.0398","0.0009","90","","90","","120","","3871.18","0.14","293","","293","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","Ca9.862Eu0.459V6.9Te0.1O28","","","- Ca9.862 Eu0.459 O28 Te0.1 V6.9 -","- Ca9.8615 Eu0.4587 O28 Te0.1001 V6.8999 -","- Ca59.169 Eu2.7522 O168 Te0.6006 V41.3994 -","6","0.333333","","V V, Titkov; E V, Latipov; O V, Baryshnikova; F D, Fedyunin; D V, Deyneko; B I, Lazoryak","Influence of anionic substitutions on the nonlinear optical and luminescent properties of Ca<sub>9.75</sub>Eu<sub>0.5</sub>(VO<sub>4</sub>)<sub>7</sub>.","Dalton transactions (Cambridge, England : 2003)","2026","55","14","5689","5699","10.1039/d5dt02750k","powder diffraction","x-ray","1.54187","CuKα","","0.0638","0.0621","","0.0643","0.0641","","","","2.28","","","","","","","has coordinates","305821","2026-05-05","09:17:42",""
"7720633","10.8463","0.00011","10.8463","0.00011","38.0675","0.0004","90","","90","","120","","3878.36","0.07","293","","293","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","Ca9.764Eu0.457V6.9S0.1O28","","","- Ca9.764 Eu0.457 O28 S0.1 V6.9 -","- Ca9.7643 Eu0.4572 O28 S0.0999 V6.9001 -","- Ca58.5858 Eu2.7432 O168 S0.5994 V41.4006 -","6","0.333333","","V V, Titkov; E V, Latipov; O V, Baryshnikova; F D, Fedyunin; D V, Deyneko; B I, Lazoryak","Influence of anionic substitutions on the nonlinear optical and luminescent properties of Ca<sub>9.75</sub>Eu<sub>0.5</sub>(VO<sub>4</sub>)<sub>7</sub>.","Dalton transactions (Cambridge, England : 2003)","2026","55","14","5689","5699","10.1039/d5dt02750k","powder diffraction","x-ray","1.54187","CuKα","","0.0536","0.0504","","0.0498","0.0494","","","","1.97","","","","","","","has coordinates","305821","2026-05-05","09:17:42",""
"7720634","10.8438","0.0002","10.8438","0.0002","38.0575","0.0007","90","","90","","120","","3875.55","0.12","293","","293","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","Ca9.84Eu0.44V6.9Sb0.1O28","","","- Ca9.84 Eu0.44 O28 Sb0.1 V6.9 -","- Ca9.8405 Eu0.4395 O28 Sb0.1001 V6.8999 -","- Ca59.043 Eu2.637 O168 Sb0.6006 V41.3994 -","6","0.333333","","V V, Titkov; E V, Latipov; O V, Baryshnikova; F D, Fedyunin; D V, Deyneko; B I, Lazoryak","Influence of anionic substitutions on the nonlinear optical and luminescent properties of Ca<sub>9.75</sub>Eu<sub>0.5</sub>(VO<sub>4</sub>)<sub>7</sub>.","Dalton transactions (Cambridge, England : 2003)","2026","55","14","5689","5699","10.1039/d5dt02750k","powder diffraction","x-ray","1.54187","CuKα","","0.0629","0.0581","","0.0602","0.0597","","","","2.61","","","","","","","has coordinates","305821","2026-05-05","09:17:42",""
"7720635","10.84475","0.00012","10.84475","0.00012","38.0662","0.0004","90","","90","","120","","3877.12","0.07","293","","293","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","Ca9.825Eu0.45V6.9As0.1O28","","","- As0.1 Ca9.825 Eu0.45 O28 V6.9 -","- As0.1 Ca9.8244 Eu0.4503 O28 V6.9 -","- As0.6 Ca58.9464 Eu2.7018 O168 V41.4 -","6","0.333333","","V V, Titkov; E V, Latipov; O V, Baryshnikova; F D, Fedyunin; D V, Deyneko; B I, Lazoryak","Influence of anionic substitutions on the nonlinear optical and luminescent properties of Ca<sub>9.75</sub>Eu<sub>0.5</sub>(VO<sub>4</sub>)<sub>7</sub>.","Dalton transactions (Cambridge, England : 2003)","2026","55","14","5689","5699","10.1039/d5dt02750k","powder diffraction","x-ray","1.54187","CuKα","","0.083","0.0718","","0.0664","0.0652","","","","1.68","","","","","","","has coordinates","305821","2026-05-05","09:17:42",""
"7720636","8.4918","0.0004","8.7777","0.0004","13.2804","0.0006","94.784","0.004","90.25","0.004","93.681","0.004","984.37","0.08","5","","5","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H8 Co F12 N3 O3 -","- C18 H8 Co F12 N3 O3 -","- C36 H16 Co2 F24 N6 O6 -","2","1","","Mikhailov, Artem A.; Gansmüller, Axel; Hasil, Asma; Pillet, Sébastien; Kostin, Gennadiy; Chastanet, Guillaume; Woike, Theo; Schaniel, Dominik","NO photoswitches: a single photoinduced linkage isomer in diamagnetic {MNO}<sup>8</sup> complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","12","4821","4831","10.1039/d6dt00116e","","x-ray","0.71073","MoKα","","0.0587","0.0401","","","0.0883","0.1006","","","","","","1.07","","","","has coordinates","305397","2026-04-05","12:13:59",""
"7720637","8.5175","0.0003","8.8128","0.0004","13.3093","0.0005","94.496","0.003","90.168","0.003","93.578","0.003","993.99","0.07","5","","5","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H8 Co F12 N3 O3 -","- C18 H8 Co F12 N3 O3 -","- C36 H16 Co2 F24 N6 O6 -","2","1","","Mikhailov, Artem A.; Gansmüller, Axel; Hasil, Asma; Pillet, Sébastien; Kostin, Gennadiy; Chastanet, Guillaume; Woike, Theo; Schaniel, Dominik","NO photoswitches: a single photoinduced linkage isomer in diamagnetic {MNO}<sup>8</sup> complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","12","4821","4831","10.1039/d6dt00116e","","x-ray","0.71073","MoKα","","0.0795","0.0666","","","0.1279","0.1356","","","","","","1.147","","","","has coordinates,has disorder","305397","2026-04-05","12:13:59",""
"7720638","8.5644","0.0001","8.8806","0.0001","16.1562","0.0001","96.078","0.001","99.158","0.001","114.43","0.001","1084.17","0.02","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","Ruthenium dicarbonyl bisamidate","Ru(iPrtBuAD)2(CO)2","","- C18 H32 N2 O4 Ru -","- C18 H32 N2 O4 Ru -","- C36 H64 N4 O8 Ru2 -","2","1","","Obenlüneschloß, Jorit; Nies, Cara-Lena; Gock, Michael; Unkrig-Bau, Michael; Huster, Jan-Niklas; Nolan, Michael; Devi, Anjana","Ruthenium(II) carbonyl amidates - a new class of precursors for atomic layer deposition.","Dalton transactions (Cambridge, England : 2003)","2026","55","10","4046","4050","10.1039/d5dt02610e","","x-ray","1.54184","CuKα","","0.0243","0.0238","","","0.0615","0.0617","","","","","","1.074","","","","has coordinates","305029","2026-03-10","23:58:37",""
"7720639","14.9411","0.0002","7.7473","0.0001","19.6643","0.0003","90","","108.662","0.002","90","","2156.53","0.06","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Ruthenium dicarbonyl bisamidate","Ru(tBuiPrAD)2(CO)2","","- C18 H32 N2 O4 Ru -","- C18 H32 N2 O4 Ru -","- C72 H128 N8 O16 Ru4 -","4","1","","Obenlüneschloß, Jorit; Nies, Cara-Lena; Gock, Michael; Unkrig-Bau, Michael; Huster, Jan-Niklas; Nolan, Michael; Devi, Anjana","Ruthenium(II) carbonyl amidates - a new class of precursors for atomic layer deposition.","Dalton transactions (Cambridge, England : 2003)","2026","55","10","4046","4050","10.1039/d5dt02610e","","x-ray","1.54184","CuKα","","0.0368","0.0339","","","0.0897","0.0919","","","","","","1.096","","","","has coordinates","305029","2026-03-10","23:58:38",""
"7720640","10.4302","0.0004","17.5602","0.0006","19.8365","0.0005","63.995","0.002","75.645","0.002","87.926","0.002","3152.4","0.19","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H28 N4 O6 V -","- C38 H28 N4 O6 V -","- C152 H112 N16 O24 V4 -","4","2","","Akintola, Oluseun; Lima, Sudhir; Seifert, Michael; Kintzel, Benjamin; Görls, Helmar; Dinda, Rupam; Plass, Winfried","Spin dynamics and long phase-memory times in structurally distinct non-oxido vanadium(IV) complexes with rigid ligand frameworks relevant to molecular qubits.","Dalton transactions (Cambridge, England : 2003)","2026","55","14","5541","5552","10.1039/d5dt02909k","","","0.71073","MoKα","","0.0964","0.0708","","","0.1336","0.1452","","","","","","1.136","","","","has coordinates","305815","2026-05-05","09:14:24",""
"7720641","13.0207","0.0004","13.1077","0.0005","13.44","0.0005","98.611","0.002","113.344","0.002","96.243","0.002","2046.32","0.13","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H37 N7 O8 V -","- C44 H37 N7 O8 V -","- C88 H74 N14 O16 V2 -","2","1","","Akintola, Oluseun; Lima, Sudhir; Seifert, Michael; Kintzel, Benjamin; Görls, Helmar; Dinda, Rupam; Plass, Winfried","Spin dynamics and long phase-memory times in structurally distinct non-oxido vanadium(IV) complexes with rigid ligand frameworks relevant to molecular qubits.","Dalton transactions (Cambridge, England : 2003)","2026","55","14","5541","5552","10.1039/d5dt02909k","","","0.71073","MoKα","","0.087","0.0661","","","0.1401","0.1521","","","","","","1.065","","","","has coordinates,has disorder","305815","2026-05-05","09:14:24",""
"7720642","15.4561","0.0007","10.0553","0.0004","7.8796","0.0003","90","","104.08","0.002","90","","1187.82","0.09","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H17 Fe N O -","- C14 H17 Fe N O -","- C56 H68 Fe4 N4 O4 -","4","1","","Rezazgui, David; Císařová, Ivana; Štěpnička, Petr; Schulz, Jiří","Synthesis of hybrid phosphinoferrocene ligands bearing amine pendants and catalytic evaluation of their gold(I) complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5397","5407","10.1039/d6dt00321d","","","0.71073","MoKα","","0.0244","0.0222","","","0.0554","0.0566","","","","","","1.067","","","","has coordinates","305372","2026-04-05","12:07:35",""
"7720643","10.3806","0.0005","9.2842","0.0004","27.3337","0.0012","90","","91.979","0.002","90","","2632.7","0.2","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 Br Fe N O -","- C14 H16 Br Fe N O -","- C112 H128 Br8 Fe8 N8 O8 -","8","2","","Rezazgui, David; Císařová, Ivana; Štěpnička, Petr; Schulz, Jiří","Synthesis of hybrid phosphinoferrocene ligands bearing amine pendants and catalytic evaluation of their gold(I) complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5397","5407","10.1039/d6dt00321d","","","0.71073","MoKα","","0.0169","0.0165","","","0.0424","0.0427","","","","","","1.056","","","","has coordinates","305372","2026-04-05","12:07:35",""
"7720644","15.1704","0.0009","13.7789","0.0008","11.3953","0.0006","90","","91.084","0.002","90","","2381.5","0.2","130","2","130","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 Au Cl Fe N O P -","- C26 H26 Au Cl Fe N O P -","- C104 H104 Au4 Cl4 Fe4 N4 O4 P4 -","4","1","","Rezazgui, David; Císařová, Ivana; Štěpnička, Petr; Schulz, Jiří","Synthesis of hybrid phosphinoferrocene ligands bearing amine pendants and catalytic evaluation of their gold(I) complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5397","5407","10.1039/d6dt00321d","","","0.71073","MoKα","","0.0186","0.0158","","","0.0332","0.0341","","","","","","1.098","","","","has coordinates,has disorder","305372","2026-04-05","12:07:35",""
"7720645","10.118","0.0003","23.6712","0.0009","12.7592","0.0004","90","","100.56","0.001","90","","3004.14","0.17","120","2","120","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C27 H39 Au Cl4 Fe N O P -","- C27 H39 Au Cl4 Fe N O P -","- C108 H156 Au4 Cl16 Fe4 N4 O4 P4 -","4","1","","Rezazgui, David; Císařová, Ivana; Štěpnička, Petr; Schulz, Jiří","Synthesis of hybrid phosphinoferrocene ligands bearing amine pendants and catalytic evaluation of their gold(I) complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5397","5407","10.1039/d6dt00321d","","","0.71073","MoKα","","0.0173","0.017","","","0.0402","0.0403","","","","","","1.081","","","","has coordinates","305372","2026-04-05","12:07:35",""
"7720646","8.8936","0.0003","11.0024","0.0003","22.6977","0.0007","90","","99.41","0.001","90","","2191.1","0.12","120","2","120","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C22 H22 Au Cl Fe N O3 P -","- C22 H22 Au Cl Fe N O3 P -","- C88 H88 Au4 Cl4 Fe4 N4 O12 P4 -","4","1","","Rezazgui, David; Císařová, Ivana; Štěpnička, Petr; Schulz, Jiří","Synthesis of hybrid phosphinoferrocene ligands bearing amine pendants and catalytic evaluation of their gold(I) complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5397","5407","10.1039/d6dt00321d","","","0.71073","MoKα","","0.0151","0.0144","","","0.032","0.0323","","","","","","1.089","","","","has coordinates","305372","2026-04-05","12:07:35",""
"7720647","9.3802","0.0003","10.1241","0.0004","10.3269","0.0004","100.938","0.001","93.135","0.001","97.712","0.001","950.94","0.06","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H22 Fe N O3 P -","- C22 H22 Fe N O3 P -","- C44 H44 Fe2 N2 O6 P2 -","2","1","","Rezazgui, David; Císařová, Ivana; Štěpnička, Petr; Schulz, Jiří","Synthesis of hybrid phosphinoferrocene ligands bearing amine pendants and catalytic evaluation of their gold(I) complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5397","5407","10.1039/d6dt00321d","","","0.71073","MoKα","","0.0219","0.0215","","","0.0591","0.0593","","","","","","1.048","","","","has coordinates","305372","2026-04-05","12:07:35",""
"7720648","10.3068","0.0004","8.2551","0.0003","22.7564","0.0009","90","","90.595","0.001","90","","1936.09","0.13","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 Fe N O3 P -","- C22 H22 Fe N O3 P -","- C88 H88 Fe4 N4 O12 P4 -","4","1","","Rezazgui, David; Císařová, Ivana; Štěpnička, Petr; Schulz, Jiří","Synthesis of hybrid phosphinoferrocene ligands bearing amine pendants and catalytic evaluation of their gold(I) complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5397","5407","10.1039/d6dt00321d","","","0.71073","MoKα","","0.0256","0.0245","","","0.0655","0.0664","","","","","","1.034","","","","has coordinates","305372","2026-04-05","12:07:35",""
"7720649","9.7338","0.0005","13.0064","0.0007","19.3567","0.001","90","","100.267","0.002","90","","2411.4","0.2","120","2","120","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 Au Cl Fe N O P -","- C26 H26 Au Cl Fe N O P -","- C104 H104 Au4 Cl4 Fe4 N4 O4 P4 -","4","1","","Rezazgui, David; Císařová, Ivana; Štěpnička, Petr; Schulz, Jiří","Synthesis of hybrid phosphinoferrocene ligands bearing amine pendants and catalytic evaluation of their gold(I) complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5397","5407","10.1039/d6dt00321d","","","0.71073","MoKα","","0.0149","0.0141","","","0.0327","0.033","","","","","","1.121","","","","has coordinates","305372","2026-04-05","12:07:35",""
"7720650","9.6322","0.0002","19.2608","0.0004","13.0816","0.0002","90","","99.414","0.001","90","","2394.26","0.08","120","2","120","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 Au Cl Fe N P S -","- C26 H26 Au Cl Fe N P S -","- C104 H104 Au4 Cl4 Fe4 N4 P4 S4 -","4","1","","Rezazgui, David; Císařová, Ivana; Štěpnička, Petr; Schulz, Jiří","Synthesis of hybrid phosphinoferrocene ligands bearing amine pendants and catalytic evaluation of their gold(I) complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5397","5407","10.1039/d6dt00321d","","","0.71073","MoKα","","0.0147","0.0145","","","0.0338","0.0339","","","","","","1.105","","","","has coordinates","305372","2026-04-05","12:07:35",""
"7720651","6.0188","0.0005","10.3743","0.0008","37.385","0.003","90","","90.447","0.003","90","","2334.3","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H38 Fe N O P -","- C26 H38 Fe N O P -","- C104 H152 Fe4 N4 O4 P4 -","4","1","","Rezazgui, David; Císařová, Ivana; Štěpnička, Petr; Schulz, Jiří","Synthesis of hybrid phosphinoferrocene ligands bearing amine pendants and catalytic evaluation of their gold(I) complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5397","5407","10.1039/d6dt00321d","","","0.71073","MoKα","","0.0392","0.0364","","","0.0827","0.0838","","","","","","1.21","","","","has coordinates","305372","2026-04-05","12:07:35",""
"7720652","8.3381","0.0005","9.6955","0.0005","18.8996","0.0012","90","","90.75","0.002","90","","1527.75","0.15","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C15 H20 B F4 Fe N O -","- C15 H20 B F4 Fe N O -","- C60 H80 B4 F16 Fe4 N4 O4 -","4","1","","Rezazgui, David; Císařová, Ivana; Štěpnička, Petr; Schulz, Jiří","Synthesis of hybrid phosphinoferrocene ligands bearing amine pendants and catalytic evaluation of their gold(I) complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5397","5407","10.1039/d6dt00321d","","","0.71073","MoKα","","0.0455","0.0451","","","0.098","0.0982","","","","","","1.147","","","","has coordinates,has disorder","305372","2026-04-05","12:07:35",""
"7720653","9.3036","0.0004","9.4666","0.0004","11.2315","0.0005","73.973","0.001","88.758","0.001","78.416","0.001","930.78","0.07","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H20 Fe N P S -","- C22 H20 Fe N P S -","- C44 H40 Fe2 N2 P2 S2 -","2","1","","Rezazgui, David; Císařová, Ivana; Štěpnička, Petr; Schulz, Jiří","Synthesis of hybrid phosphinoferrocene ligands bearing amine pendants and catalytic evaluation of their gold(I) complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5397","5407","10.1039/d6dt00321d","","","1.54178","CuKα","","0.0266","0.0265","","","0.0678","0.0679","","","","","","1.06","","","","has coordinates","305372","2026-04-05","12:07:35",""
"7720654","10.2998","0.0004","11.2164","0.0004","22.2753","0.0007","78.599","0.001","77.682","0.001","62.824","0.001","2221.68","0.14","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H24 Au Cl Fe N P -","- C24 H24 Au Cl Fe N P -","- C96 H96 Au4 Cl4 Fe4 N4 P4 -","4","2","","Rezazgui, David; Císařová, Ivana; Štěpnička, Petr; Schulz, Jiří","Synthesis of hybrid phosphinoferrocene ligands bearing amine pendants and catalytic evaluation of their gold(I) complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5397","5407","10.1039/d6dt00321d","","","0.71073","MoKα","","0.0157","0.0151","","","0.0372","0.0375","","","","","","1.128","","","","has coordinates","305372","2026-04-05","12:07:35",""
"7720655","17.2028","0.0009","9.3853","0.0005","26.5932","0.0012","90","","90","","90","","4293.6","0.4","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H26 Fe N O P -","- C26 H26 Fe N O P -","- C208 H208 Fe8 N8 O8 P8 -","8","1","","Rezazgui, David; Císařová, Ivana; Štěpnička, Petr; Schulz, Jiří","Synthesis of hybrid phosphinoferrocene ligands bearing amine pendants and catalytic evaluation of their gold(I) complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5397","5407","10.1039/d6dt00321d","","","0.71073","MoKα","","0.0589","0.0414","","","0.0914","0.0975","","","","","","1.053","","","","has coordinates","305372","2026-04-05","12:07:35",""
"7720656","9.9729","0.0004","15.252","0.0007","14.9371","0.0006","90","","107.388","0.003","90","","2168.21","0.16","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 Fe N P S -","- C26 H26 Fe N P S -","- C104 H104 Fe4 N4 P4 S4 -","4","1","","Rezazgui, David; Císařová, Ivana; Štěpnička, Petr; Schulz, Jiří","Synthesis of hybrid phosphinoferrocene ligands bearing amine pendants and catalytic evaluation of their gold(I) complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5397","5407","10.1039/d6dt00321d","","","1.54178","CuKα","","0.0634","0.0417","","","0.0822","0.0901","","","","","","1.015","","","","has coordinates","305372","2026-04-05","12:07:35",""
"7720657","18.0566","0.0008","9.2923","0.0005","26.4855","0.0012","90","","90","","90","","4443.9","0.4","120","2","120","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C26 H26 Fe N O P S -","- C26 H26 Fe N O P S -","- C208 H208 Fe8 N8 O8 P8 S8 -","8","1","","Rezazgui, David; Císařová, Ivana; Štěpnička, Petr; Schulz, Jiří","Synthesis of hybrid phosphinoferrocene ligands bearing amine pendants and catalytic evaluation of their gold(I) complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5397","5407","10.1039/d6dt00321d","","","0.71073","MoKα","","0.0482","0.0386","","","0.0787","0.0818","","","","","","1.118","","","","has coordinates","305372","2026-04-05","12:07:35",""
"7720658","15.0255","0.0004","11.5476","0.0003","12.0575","0.0004","90","","109.175","0.001","90","","1976.01","0.1","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 Fe N P -","- C24 H24 Fe N P -","- C96 H96 Fe4 N4 P4 -","4","1","","Rezazgui, David; Císařová, Ivana; Štěpnička, Petr; Schulz, Jiří","Synthesis of hybrid phosphinoferrocene ligands bearing amine pendants and catalytic evaluation of their gold(I) complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5397","5407","10.1039/d6dt00321d","","","0.71073","MoKα","","0.0229","0.0221","","","0.0597","0.0604","","","","","","1.054","","","","has coordinates","305372","2026-04-05","12:07:35",""
"7720659","9.7832","0.0005","10.5794","0.0005","11.4784","0.0006","72.733","0.002","80.17","0.002","72.03","0.002","1075.03","0.09","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H24 Au Cl Fe N P -","- C24 H24 Au Cl Fe N P -","- C48 H48 Au2 Cl2 Fe2 N2 P2 -","2","1","","Rezazgui, David; Císařová, Ivana; Štěpnička, Petr; Schulz, Jiří","Synthesis of hybrid phosphinoferrocene ligands bearing amine pendants and catalytic evaluation of their gold(I) complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5397","5407","10.1039/d6dt00321d","","","0.71073","MoKα","","0.0157","0.0155","","","0.0408","0.0409","","","","","","1.159","","","","has coordinates","305372","2026-04-05","12:07:35",""
"7720660","19.3758","0.0007","10.1323","0.0004","12.2398","0.0005","90","","102.565","0.001","90","","2345.38","0.16","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H38 Fe N O P -","- C26 H38 Fe N O P -","- C104 H152 Fe4 N4 O4 P4 -","4","1","","Rezazgui, David; Císařová, Ivana; Štěpnička, Petr; Schulz, Jiří","Synthesis of hybrid phosphinoferrocene ligands bearing amine pendants and catalytic evaluation of their gold(I) complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5397","5407","10.1039/d6dt00321d","","","0.71073","MoKα","","0.024","0.0228","","","0.0601","0.0607","","","","","","1.022","","","","has coordinates","305372","2026-04-05","12:07:35",""
"7720661","15.7656","0.0013","19.195","0.0017","14.3899","0.0011","90","","90","","90","","4354.7","0.6","120","2","120","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C26 H26 Fe N P S -","- C26 H26 Fe N P S -","- C208 H208 Fe8 N8 P8 S8 -","8","2","","Rezazgui, David; Císařová, Ivana; Štěpnička, Petr; Schulz, Jiří","Synthesis of hybrid phosphinoferrocene ligands bearing amine pendants and catalytic evaluation of their gold(I) complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5397","5407","10.1039/d6dt00321d","","","0.71073","MoKα","","0.0241","0.0229","","","0.0588","0.0598","","","","","","1.047","","","","has coordinates","305372","2026-04-05","12:07:35",""
"7720662","9.511","0.0013","17.971","0.002","19.045","0.003","108.334","0.004","92.424","0.005","92.944","0.005","3080","0.7","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C28 H30 Au Cl5 Fe N P S -","- C28 H30 Au Cl5 Fe N P S -","- C112 H120 Au4 Cl20 Fe4 N4 P4 S4 -","4","2","","Rezazgui, David; Císařová, Ivana; Štěpnička, Petr; Schulz, Jiří","Synthesis of hybrid phosphinoferrocene ligands bearing amine pendants and catalytic evaluation of their gold(I) complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5397","5407","10.1039/d6dt00321d","","","0.71073","MoKα","","0.043","0.038","","","0.0999","0.1067","","","","","","1.028","","","","has coordinates","305372","2026-04-05","12:07:35",""
"7720663","15.2006","0.0017","14.2552","0.0014","19.957","0.002","90","","90","","90","","4324.4","0.8","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H26 Fe N O P -","- C26 H26 Fe N O P -","- C208 H208 Fe8 N8 O8 P8 -","8","1","","Rezazgui, David; Císařová, Ivana; Štěpnička, Petr; Schulz, Jiří","Synthesis of hybrid phosphinoferrocene ligands bearing amine pendants and catalytic evaluation of their gold(I) complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5397","5407","10.1039/d6dt00321d","","","0.71073","MoKα","","0.0269","0.0246","","","0.0654","0.0676","","","","","","1.058","","","","has coordinates,has disorder","305372","2026-04-05","12:07:35",""
"7720664","10.5333","0.0003","11.7347","0.0004","13.195","0.0004","99.359","0.001","104.167","0.001","114.437","0.001","1373.87","0.08","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C26.5 H39 Au Cl2 Fe N O P -","- C26 H38 Au Cl Fe N O P -","- C52 H76 Au2 Cl2 Fe2 N2 O2 P2 -","2","1","","Rezazgui, David; Císařová, Ivana; Štěpnička, Petr; Schulz, Jiří","Synthesis of hybrid phosphinoferrocene ligands bearing amine pendants and catalytic evaluation of their gold(I) complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5397","5407","10.1039/d6dt00321d","","","0.71073","MoKα","","0.0132","0.0127","","","0.0303","0.0304","","","","","","1.047","","","","has coordinates","305372","2026-04-05","12:07:35",""
"7720665","12.1326","0.0002","20.3581","0.0003","19.3113","0.0004","90","","96.213","0.002","90","","4741.81","0.14","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H48 Cu2 N7 O15 P3 -","- C45 H48 Cu2 N7 O15 P3 -","- C180 H192 Cu8 N28 O60 P12 -","4","1","","Herniman, Julie M.; P Keeling, George; King, Rhys P.; Light, Mark E.; Kandathil Sintho, Navya; Snowsill, Kate; Reid, Gillian","Transition metal complexes with phosphine oxide appended aza-macrocycles - effects of ring size and denticity.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5266","5275","10.1039/d6dt00255b","","x-ray","0.71073","MoKα","","0.0792","0.0561","","","0.1322","0.1419","","","","","","1.019","","","","has coordinates","305371","2026-04-05","12:07:20",""
"7720666","13.5349","0.0002","35.3829","0.0007","16.3968","0.0003","90","","106.02","0.002","90","","7547.5","0.2","100","0.1","100","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C91 H89 B2 N5 Ni O2 P2 -","- C91 H89 B2 N5 Ni O2 P2 -","- C364 H356 B8 N20 Ni4 O8 P8 -","4","1","","Herniman, Julie M.; P Keeling, George; King, Rhys P.; Light, Mark E.; Kandathil Sintho, Navya; Snowsill, Kate; Reid, Gillian","Transition metal complexes with phosphine oxide appended aza-macrocycles - effects of ring size and denticity.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5266","5275","10.1039/d6dt00255b","","x-ray","0.71073","MoKα","","0.0916","0.0591","","","0.127","0.1391","","","","","","1.014","","","","has coordinates","305371","2026-04-05","12:07:20",""
"7720667","12.8286","0.0001","12.8388","0.0001","17.741","0.0002","76.176","0.001","79.852","0.001","62.778","0.001","2515.53","0.05","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C56 H62 N5 O3 P3 -","- C56 H62 N5 O3 P3 -","- C112 H124 N10 O6 P6 -","2","1","","Herniman, Julie M.; P Keeling, George; King, Rhys P.; Light, Mark E.; Kandathil Sintho, Navya; Snowsill, Kate; Reid, Gillian","Transition metal complexes with phosphine oxide appended aza-macrocycles - effects of ring size and denticity.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5266","5275","10.1039/d6dt00255b","","x-ray","0.71073","MoKα","","0.0508","0.0439","","","0.1132","0.1159","","","","","","1.094","","","","has coordinates","305371","2026-04-05","12:07:20",""
"7720668","13.4741","0.0002","35.5051","0.0004","16.4405","0.0002","90","","105.937","0.001","90","","7562.82","0.17","100","0.1","100","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C180 H175 B4 Co2 N9 O4 P4 -","- C180 H175 B4 Co2 N9 O4 P4 -","- C360 H350 B8 Co4 N18 O8 P8 -","2","0.5","","Herniman, Julie M.; P Keeling, George; King, Rhys P.; Light, Mark E.; Kandathil Sintho, Navya; Snowsill, Kate; Reid, Gillian","Transition metal complexes with phosphine oxide appended aza-macrocycles - effects of ring size and denticity.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5266","5275","10.1039/d6dt00255b","","x-ray","0.71073","MoKα","","0.0807","0.067","","","0.1601","0.1663","","","","","","1.153","","","","has coordinates,has disorder","305371","2026-04-05","12:07:20",""
"7720669","12.9014","0.0003","19.0597","0.0003","24.0169","0.0005","90","","90.483","0.002","90","","5905.5","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C62 H79 Co N6 O11 P3 -","- C54 H59 Co N6 O9 P3 -","- C216 H236 Co4 N24 O36 P12 -","4","1","","Herniman, Julie M.; P Keeling, George; King, Rhys P.; Light, Mark E.; Kandathil Sintho, Navya; Snowsill, Kate; Reid, Gillian","Transition metal complexes with phosphine oxide appended aza-macrocycles - effects of ring size and denticity.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5266","5275","10.1039/d6dt00255b","","","0.71073","MoKα","","0.1203","0.0939","","","0.2385","0.2546","","","","","","1.0468","","","","has coordinates,has disorder","305371","2026-04-05","12:07:20",""
"7720670","10.0101","0.0001","17.9328","0.0002","24.3639","0.0003","90","","94.301","0.001","90","","4361.23","0.08","99.9","0.9","99.9","0.9","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H43 Cu2 N7 O14 P2 -","- C39 H43 Cu2 N7 O14 P2 -","- C156 H172 Cu8 N28 O56 P8 -","4","1","","Herniman, Julie M.; P Keeling, George; King, Rhys P.; Light, Mark E.; Kandathil Sintho, Navya; Snowsill, Kate; Reid, Gillian","Transition metal complexes with phosphine oxide appended aza-macrocycles - effects of ring size and denticity.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5266","5275","10.1039/d6dt00255b","","x-ray","0.71073","MoKα","","0.045","0.0326","","","0.0828","0.0878","","","","","","1.055","","","","has coordinates","305371","2026-04-05","12:07:20",""
"7720671","16.1308","0.0001","18.2809","0.0002","18.4056","0.0002","117.714","0.001","106.081","0.001","97.395","0.001","4400.22","0.1","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C97 H98 B2 Co N3 O4 P3 -","- C97 H98 B2 Co N3 O4 P3 -","- C194 H196 B4 Co2 N6 O8 P6 -","2","1","","Herniman, Julie M.; P Keeling, George; King, Rhys P.; Light, Mark E.; Kandathil Sintho, Navya; Snowsill, Kate; Reid, Gillian","Transition metal complexes with phosphine oxide appended aza-macrocycles - effects of ring size and denticity.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5266","5275","10.1039/d6dt00255b","","x-ray","0.71073","MoKα","","0.0683","0.0492","","","0.141","0.1534","","","","","","1.036","","","","has coordinates","305371","2026-04-05","12:07:20",""
"7720672","16.1174","0.0002","18.4228","0.0002","18.4245","0.0002","118.092","0.001","106.132","0.001","97.169","0.001","4420.25","0.11","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C97 H98 B2 N3 O4 P3 Zn -","- C97 H98 B2 N3 O4 P3 Zn -","- C194 H196 B4 N6 O8 P6 Zn2 -","2","1","","Herniman, Julie M.; P Keeling, George; King, Rhys P.; Light, Mark E.; Kandathil Sintho, Navya; Snowsill, Kate; Reid, Gillian","Transition metal complexes with phosphine oxide appended aza-macrocycles - effects of ring size and denticity.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5266","5275","10.1039/d6dt00255b","","x-ray","0.71073","MoKα","","0.0757","0.0512","","","0.1238","0.1337","","","","","","1.014","","","","has coordinates","305371","2026-04-05","12:07:20",""
"7720673","13.382","0.0002","35.6112","0.0006","16.4596","0.0003","90","","106.049","0.002","90","","7538.1","0.2","100","0.1","100","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C91 H89 B2 N5 O2 P2 Zn -","- C91 H89 B2 N5 O2 P2 Zn -","- C364 H356 B8 N20 O8 P8 Zn4 -","4","1","","Herniman, Julie M.; P Keeling, George; King, Rhys P.; Light, Mark E.; Kandathil Sintho, Navya; Snowsill, Kate; Reid, Gillian","Transition metal complexes with phosphine oxide appended aza-macrocycles - effects of ring size and denticity.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5266","5275","10.1039/d6dt00255b","","x-ray","0.71073","MoKα","","0.085","0.0584","","","0.1379","0.1496","","","","","","1.026","","","","has coordinates","305371","2026-04-05","12:07:20",""
"7720674","16.0832","0.0003","18.3082","0.0003","18.3795","0.0003","117.583","0.002","97.166","0.001","105.699","0.002","4415.17","0.18","100","1","100","1","","","","","","","","7","P -1","-P 1","2","","","","- C97 H98 B2 N3 Ni O4 P3 -","- C97 H98 B2 N3 Ni O4 P3 -","- C194 H196 B4 N6 Ni2 O8 P6 -","2","1","","Herniman, Julie M.; P Keeling, George; King, Rhys P.; Light, Mark E.; Kandathil Sintho, Navya; Snowsill, Kate; Reid, Gillian","Transition metal complexes with phosphine oxide appended aza-macrocycles - effects of ring size and denticity.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5266","5275","10.1039/d6dt00255b","","x-ray","0.71073","MoKα","","0.089","0.0657","","","0.179","0.1919","","","","","","1.016","","","","has coordinates","305371","2026-04-05","12:07:20",""
"7720675","12.901","0.0002","19.0309","0.0003","24.1395","0.0004","90","","90.696","0.002","90","","5926.24","0.16","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C66 H77 N12 O9 P3 Zn -","- C54 H59 N6 O9 P3 Zn -","- C216 H236 N24 O36 P12 Zn4 -","4","1","","Herniman, Julie M.; P Keeling, George; King, Rhys P.; Light, Mark E.; Kandathil Sintho, Navya; Snowsill, Kate; Reid, Gillian","Transition metal complexes with phosphine oxide appended aza-macrocycles - effects of ring size and denticity.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5266","5275","10.1039/d6dt00255b","","","0.71073","MoKα","","0.0845","0.0647","","","0.162","0.1714","","","","","","1.0438","","","","has coordinates","305371","2026-04-05","12:07:20",""
"7720676","14.9761","0.0017","17.265","0.0009","5.2987","0.0003","90","","95.484","0.004","90","","1363.77","0.19","298","","300","","","","100","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C9 O9 P3 Zr -","- C9 O9 P3 Zr -","- C36 O36 P12 Zr4 -","4","1","","Bazaga-García, Montse; Colodrero, Rosario M. P.; Vílchez-Cózar, Álvaro; Olivera-Pastor, Pascual; Cecilia, Juan A.; Kurowski, Łukasz; Zaręba, Jan K; Cabeza, Aurelio","Structural characterization, proton conductivity and furfural catalysis of novel polyfunctional zirconium phosphonates.","Dalton transactions (Cambridge, England : 2003)","2026","55","14","5667","5678","10.1039/d5dt02947c","powder diffraction","x-ray","0.7093","MoKα","","","","","","0.02725","","0.05115","","10.349","","","","","","","has coordinates","305818","2026-05-05","09:15:24",""
"7720677","5.24914","0.00016","14.8202","0.0005","10.6344","0.0004","90","","90.9414","0.0019","90","","827.17","0.05","300","","300","","","","100","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 F2 N2 O10 P2 Zr -","- C12 F2 N2 O10 P2 Zr -","- C24 F4 N4 O20 P4 Zr2 -","2","0.5","","Bazaga-García, Montse; Colodrero, Rosario M. P.; Vílchez-Cózar, Álvaro; Olivera-Pastor, Pascual; Cecilia, Juan A.; Kurowski, Łukasz; Zaręba, Jan K; Cabeza, Aurelio","Structural characterization, proton conductivity and furfural catalysis of novel polyfunctional zirconium phosphonates.","Dalton transactions (Cambridge, England : 2003)","2026","55","14","5667","5678","10.1039/d5dt02947c","powder diffraction","x-ray","0.7093","MoKα~1~","","","","","","0.0565","","0.04424","","14.329","","","","","","","has coordinates","305818","2026-05-05","09:15:24",""
"7720678","10.6672","0.0002","12.469","0.0002","13.4602","0.0002","70.343","0.001","68.974","0.002","72.713","0.001","1541.7","0.05","99.99","0.1","99.99","0.1","","","","","","","","5","P -1","-P 1","2","Magnesium alkoxide complex","Intermediate_Int_1","","- C70 H82.5 Mg2 N4 O2 -","- C70 H82.5 Mg2 N4 O2 -","- C70 H82.5 Mg2 N4 O2 -","1","0.5","","Das, Anubhab; Mukhopadhyay, Sayantan; Rajput, Sagrika; Nembenna, Sharanappa","Catalytic hydroboration of α,β-unsaturated ketones using β-diketiminate magnesium hydride and mechanistic insights.","Dalton transactions (Cambridge, England : 2003)","2026","55","15","6056","6066","10.1039/d6dt00286b","","","1.54184","CuKα","","0.0502","0.0481","","","0.1297","0.1313","","","","","","1.077","","","","has coordinates,has disorder","306415","2026-06-05","19:06:57",""
"7720679","8.27032","0.0001","11.96735","0.00015","19.8419","0.0002","103.163","0.001","93.0781","0.0009","105.737","0.0011","1826.54","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H21 Br2 N O -","- C19 H21 Br2 N O -","- C76 H84 Br8 N4 O4 -","4","2","","Shibata, Kaname; Michiue, Kenji; Motuzis, Ignas; Elsegood, Mark R. J.; Redshaw, Carl","Vanadyl complexes supported by O,O- and N,O-chelate ligation: structures and polymerization catalysis.","Dalton transactions (Cambridge, England : 2003)","2026","55","14","5644","5666","10.1039/d6dt00387g","","","0.71073","MoKα","","0.0753","0.0498","","","0.0858","0.0911","","","","","","1.224","","","","has coordinates,has disorder","305819","2026-05-05","09:15:37",""
"7720680","18.00871","0.00007","21.83197","0.00009","15.26656","0.00007","90","","90","","90","","6002.29","0.04","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C30 H24 Br4 N2 O3 V -","- C30 H24 Br4 N2 O3 V -","- C240 H192 Br32 N16 O24 V8 -","8","2","","Shibata, Kaname; Michiue, Kenji; Motuzis, Ignas; Elsegood, Mark R. J.; Redshaw, Carl","Vanadyl complexes supported by O,O- and N,O-chelate ligation: structures and polymerization catalysis.","Dalton transactions (Cambridge, England : 2003)","2026","55","14","5644","5666","10.1039/d6dt00387g","","","1.54178","CuKα","","0.0228","0.0222","","","0.0542","0.0546","","","","","","1.029","","","","has coordinates,has disorder","305819","2026-05-05","09:15:37",""
"7720681","13.0631","0.0002","16.0877","0.0003","14.1607","0.0002","90","","93.7323","0.0016","90","","2969.63","0.08","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H30 Br4 N O4 V -","- C28 H30 Br4 N O4 V -","- C112 H120 Br16 N4 O16 V4 -","4","1","","Shibata, Kaname; Michiue, Kenji; Motuzis, Ignas; Elsegood, Mark R. J.; Redshaw, Carl","Vanadyl complexes supported by O,O- and N,O-chelate ligation: structures and polymerization catalysis.","Dalton transactions (Cambridge, England : 2003)","2026","55","14","5644","5666","10.1039/d6dt00387g","","","0.71073","MoKα","","0.0732","0.0413","","","0.0834","0.0947","","","","","","1.012","","","","has coordinates","305819","2026-05-05","09:15:37",""
"7720682","9.34746","0.0001","9.37245","0.00014","12.34112","0.00013","68.3876","0.0012","79.142","0.0009","81.4636","0.001","983.47","0.02","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H40 Br4 N2 O3 V -","- C38 H40 Br4 N2 O3 V -","- C38 H40 Br4 N2 O3 V -","1","0.5","","Shibata, Kaname; Michiue, Kenji; Motuzis, Ignas; Elsegood, Mark R. J.; Redshaw, Carl","Vanadyl complexes supported by O,O- and N,O-chelate ligation: structures and polymerization catalysis.","Dalton transactions (Cambridge, England : 2003)","2026","55","14","5644","5666","10.1039/d6dt00387g","","","1.54178","CuKα","","0.0322","0.0321","","","0.0697","0.0698","","","","","","1.125","","","","has coordinates","305819","2026-05-05","09:15:37",""
"7720683","9.52053","0.00007","11.43949","0.0001","14.4007","0.00013","95.0549","0.0007","90.9208","0.0007","96.0612","0.0007","1553.04","0.02","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H32 Br4 N O4 V -","- C29 H32 Br4 N O4 V -","- C58 H64 Br8 N2 O8 V2 -","2","1","","Shibata, Kaname; Michiue, Kenji; Motuzis, Ignas; Elsegood, Mark R. J.; Redshaw, Carl","Vanadyl complexes supported by O,O- and N,O-chelate ligation: structures and polymerization catalysis.","Dalton transactions (Cambridge, England : 2003)","2026","55","14","5644","5666","10.1039/d6dt00387g","","","1.54178","CuKα","","0.024","0.0239","","","0.0622","0.0623","","","","","","1.134","","","","has coordinates","305819","2026-05-05","09:15:37",""
"7720684","21.4659","0.0004","12.29544","0.00018","14.7105","0.0003","90","","106.191","0.002","90","","3728.59","0.12","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H23 Br2 N O -","- C19 H23 Br2 N O -","- C152 H184 Br16 N8 O8 -","8","1","","Shibata, Kaname; Michiue, Kenji; Motuzis, Ignas; Elsegood, Mark R. J.; Redshaw, Carl","Vanadyl complexes supported by O,O- and N,O-chelate ligation: structures and polymerization catalysis.","Dalton transactions (Cambridge, England : 2003)","2026","55","14","5644","5666","10.1039/d6dt00387g","","","0.71073","MoKα","","0.0393","0.0244","","","0.0534","0.0569","","","","","","1.04","","","","has coordinates","305819","2026-05-05","09:15:37",""
"7720685","11.05269","0.00011","14.86773","0.00011","11.54433","0.00011","90","","114.907","0.0012","90","","1720.62","0.03","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H42 Br4 N2 O2 -","- C32 H42 Br4 N2 O2 -","- C64 H84 Br8 N4 O4 -","2","1","","Shibata, Kaname; Michiue, Kenji; Motuzis, Ignas; Elsegood, Mark R. J.; Redshaw, Carl","Vanadyl complexes supported by O,O- and N,O-chelate ligation: structures and polymerization catalysis.","Dalton transactions (Cambridge, England : 2003)","2026","55","14","5644","5666","10.1039/d6dt00387g","","","1.54178","CuKα","","0.0207","0.0201","","","0.0452","0.0455","","","","","","1.026","","","","has coordinates","305819","2026-05-05","09:15:37",""
"7720686","8.6882","0.00009","10.9641","0.0002","11.34682","0.00016","62.6056","0.0016","86.1615","0.001","82.3521","0.0011","951.11","0.03","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H40 Br4 N2 O3 V -","- C38 H40 Br4 N2 O3 V -","- C38 H40 Br4 N2 O3 V -","1","0.5","","Shibata, Kaname; Michiue, Kenji; Motuzis, Ignas; Elsegood, Mark R. J.; Redshaw, Carl","Vanadyl complexes supported by O,O- and N,O-chelate ligation: structures and polymerization catalysis.","Dalton transactions (Cambridge, England : 2003)","2026","55","14","5644","5666","10.1039/d6dt00387g","","","1.54178","CuKα","","0.033","0.032","","","0.0665","0.067","","","","","","1.046","","","","has coordinates","305819","2026-05-05","09:15:37",""
"7720687","25.3991","0.0006","12.4635","0.0003","27.4973","0.0008","90","","106.109","0.003","90","","8362.8","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H44.5 I4 N2.5 O3 V -","- C39 H44.5 I4 N2.5 O3 V -","- C312 H356 I32 N20 O24 V8 -","8","2","","Shibata, Kaname; Michiue, Kenji; Motuzis, Ignas; Elsegood, Mark R. J.; Redshaw, Carl","Vanadyl complexes supported by O,O- and N,O-chelate ligation: structures and polymerization catalysis.","Dalton transactions (Cambridge, England : 2003)","2026","55","14","5644","5666","10.1039/d6dt00387g","","","1.54178","CuKα","","0.068","0.0463","","","0.092","0.1005","","","","","","1.022","","","","has coordinates","305819","2026-05-05","09:15:37",""
"7720688","11.54854","0.00009","12.30121","0.0001","13.94099","0.00011","76.1324","0.0007","86.845","0.0006","87.7059","0.0006","1919.09","0.03","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H43 Br4 N2 O3 V -","- C38 H43 Br4 N2 O3 V -","- C76 H86 Br8 N4 O6 V2 -","2","1","","Shibata, Kaname; Michiue, Kenji; Motuzis, Ignas; Elsegood, Mark R. J.; Redshaw, Carl","Vanadyl complexes supported by O,O- and N,O-chelate ligation: structures and polymerization catalysis.","Dalton transactions (Cambridge, England : 2003)","2026","55","14","5644","5666","10.1039/d6dt00387g","","","0.71073","MoKα","","0.042","0.0276","","","0.0607","0.0647","","","","","","1.018","","","","has coordinates","305819","2026-05-05","09:15:37",""
"7720689","11.80158","0.00012","12.16142","0.00014","13.69665","0.00013","77.325","0.0009","86.4467","0.0008","89.4045","0.0009","1914.19","0.04","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H43 Br4 N2 O3 V -","- C38 H43 Br4 N2 O3 V -","- C76 H86 Br8 N4 O6 V2 -","2","1","","Shibata, Kaname; Michiue, Kenji; Motuzis, Ignas; Elsegood, Mark R. J.; Redshaw, Carl","Vanadyl complexes supported by O,O- and N,O-chelate ligation: structures and polymerization catalysis.","Dalton transactions (Cambridge, England : 2003)","2026","55","14","5644","5666","10.1039/d6dt00387g","","","1.54178","CuKα","","0.0261","0.0257","","","0.0589","0.0591","","","","","","1.042","","","","has coordinates","305819","2026-05-05","09:15:37",""
"7720690","12.4676","0.0005","29.777","0.0009","10.7464","0.0005","90","","113.769","0.005","90","","3651.2","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H40 Cl4 N2 O3 V -","- C38 H40 Cl4 N2 O3 V -","- C152 H160 Cl16 N8 O12 V4 -","4","1","","Shibata, Kaname; Michiue, Kenji; Motuzis, Ignas; Elsegood, Mark R. J.; Redshaw, Carl","Vanadyl complexes supported by O,O- and N,O-chelate ligation: structures and polymerization catalysis.","Dalton transactions (Cambridge, England : 2003)","2026","55","14","5644","5666","10.1039/d6dt00387g","","","0.71073","MoKα","","0.0663","0.0567","","","0.1233","0.1274","","","","","","1.114","","","","has coordinates,has disorder","305819","2026-05-05","09:15:37",""
"7720691","8.7572","0.0003","10.6468","0.0003","11.3332","0.0003","63.781","0.003","85.416","0.002","79.177","0.003","931.08","0.05","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H40 Cl4 N2 O3 V -","- C38 H40 Cl4 N2 O3 V -","- C38 H40 Cl4 N2 O3 V -","1","0.5","","Shibata, Kaname; Michiue, Kenji; Motuzis, Ignas; Elsegood, Mark R. J.; Redshaw, Carl","Vanadyl complexes supported by O,O- and N,O-chelate ligation: structures and polymerization catalysis.","Dalton transactions (Cambridge, England : 2003)","2026","55","14","5644","5666","10.1039/d6dt00387g","","","1.54178","CuKα","","0.0442","0.0413","","","0.1021","0.1038","","","","","","1.047","","","","has coordinates","305819","2026-05-05","09:15:37",""
"7720692","28.441","0.003","9.578","0.0009","14.684","0.0013","90","","90","","90","","4000","0.7","298","2","298","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C26.5 H51 B15 Cl S Ti2 -","- C20 H46 B15 S Ti2 -","- C80 H184 B60 S4 Ti8 -","4","1","","Bairagi, Subhash; Chatterjee, Debipada; Patel, Deepak Kumar; Acharya, Swetashree; Ghosh, Sundargopal","A 14-vertex bud-shaped [(Cp*Ti)<sub>2</sub>B<sub>12</sub>H<sub>18</sub>] cluster.","Dalton transactions (Cambridge, England : 2003)","2026","55","14","5437","5442","10.1039/d5dt03098f","","","0.71073","MoKα","","0.1332","0.1096","","","0.2544","0.2713","","","","","","1.059","","","","has coordinates","305816","2026-05-05","09:14:44",""
"7720693","12.4681","0.001","16.8148","0.0013","21.8299","0.0018","100.348","0.003","95.369","0.003","104.634","0.003","4309.4","0.6","264","2","264","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H49.73 B12.86 Ti2 -","- C20 H40.8653 B12.8653 Ti2 -","- C120 H245.192 B77.192 Ti12 -","6","3","","Bairagi, Subhash; Chatterjee, Debipada; Patel, Deepak Kumar; Acharya, Swetashree; Ghosh, Sundargopal","A 14-vertex bud-shaped [(Cp*Ti)<sub>2</sub>B<sub>12</sub>H<sub>18</sub>] cluster.","Dalton transactions (Cambridge, England : 2003)","2026","55","14","5437","5442","10.1039/d5dt03098f","","","0.71073","MoKα","","0.1319","0.0885","","","0.2342","0.2794","","","","","","1.027","","","","has coordinates,has disorder","305816","2026-05-05","09:14:44",""
"7720694","18.9743","0.0011","19.9731","0.0012","18.609","0.0012","90","","117.496","0.002","90","","6255.7","0.7","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H48 B14 O S Ti2 -","- C20 H45.5 B14 O S Ti2 -","- C160 H364 B112 O8 S8 Ti16 -","8","2","","Bairagi, Subhash; Chatterjee, Debipada; Patel, Deepak Kumar; Acharya, Swetashree; Ghosh, Sundargopal","A 14-vertex bud-shaped [(Cp*Ti)<sub>2</sub>B<sub>12</sub>H<sub>18</sub>] cluster.","Dalton transactions (Cambridge, England : 2003)","2026","55","14","5437","5442","10.1039/d5dt03098f","","","0.71073","MoKα","","0.1233","0.0657","","","0.1546","0.1887","","","","","","1.024","","","","has coordinates,has disorder","305816","2026-05-05","09:14:44",""
"7720695","8.3767","0.0003","9.5789","0.0003","10.5286","0.0003","90","","112.627","0.001","90","","779.78","0.04","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C2 H0 O7 P2 Th -","- C2 O7 P2 Th -","- C8 O28 P8 Th4 -","4","1","","Mehra, Rupansha; Vidyasagar, Kanamaluru","Syntheses and characterization of non-molecular phenyl- and methyl-phosphonates and ethylenediphosphonates of thorium and cerium.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5250","5265","10.1039/d6dt00270f","","","0.71073","MoKα","","0.0619","0.0469","","","0.1069","0.1147","","","","","","1.04","","","","has coordinates","305369","2026-04-05","12:06:34",""
"7720696","10.6323","0.0011","11.5644","0.0015","7.7665","0.0006","90","","90","","90","","954.94","0.17","296","2","296","2","","","","","","","","6","I b a m","-I 2 2c","72","","","","- C2 H8 Ce F2 O6 P2 -","- C2 H8 Ce F2 O6 P2 -","- C8 H32 Ce4 F8 O24 P8 -","4","0.25","","Mehra, Rupansha; Vidyasagar, Kanamaluru","Syntheses and characterization of non-molecular phenyl- and methyl-phosphonates and ethylenediphosphonates of thorium and cerium.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5250","5265","10.1039/d6dt00270f","","","0.71073","MoKα","","0.0423","0.0278","","","0.0525","0.0566","","","","","","1.085","","","","has coordinates","305369","2026-04-05","12:06:34",""
"7720697","9.6512","0.0008","10.5157","0.0007","15.014","0.0012","91.204","0.003","100.004","0.003","89.992","0.003","1500.2","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H10 O7 P2 Th -","- C12 H10 O7 P2 Th -","- C48 H40 O28 P8 Th4 -","4","2","","Mehra, Rupansha; Vidyasagar, Kanamaluru","Syntheses and characterization of non-molecular phenyl- and methyl-phosphonates and ethylenediphosphonates of thorium and cerium.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5250","5265","10.1039/d6dt00270f","","","0.71073","MoKα","","0.1087","0.0748","","","0.1793","0.2045","","","","","","1.029","","","","has coordinates","305369","2026-04-05","12:06:34",""
"7720698","9.2626","0.0011","9.5439","0.001","10.4813","0.0011","90.144","0.004","91.908","0.004","104.485","0.004","896.55","0.17","303","2","303","2","","","","","","","","5","P -1","-P 1","2","","","","- C2 H0 O7 P2 Th -","- C2 O7 P2 Th -","- C8 O28 P8 Th4 -","4","2","","Mehra, Rupansha; Vidyasagar, Kanamaluru","Syntheses and characterization of non-molecular phenyl- and methyl-phosphonates and ethylenediphosphonates of thorium and cerium.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5250","5265","10.1039/d6dt00270f","","","0.71073","MoKα","","0.0212","0.0185","","","0.0501","0.0508","","","","","","1.179","","","","has coordinates","305369","2026-04-05","12:06:34",""
"7720699","8.3996","0.0004","8.6999","0.0004","10.689","0.0005","69.159","0.002","69.445","0.002","83.358","0.002","683.49","0.06","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C2 H4 Ce O6 P2 -","- C2 H4 Ce O6 P2 -","- C8 H16 Ce4 O24 P8 -","4","2","","Mehra, Rupansha; Vidyasagar, Kanamaluru","Syntheses and characterization of non-molecular phenyl- and methyl-phosphonates and ethylenediphosphonates of thorium and cerium.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5250","5265","10.1039/d6dt00270f","","","0.71073","MoKα","","0.1107","0.0656","","","0.116","0.1316","","","","","","1.014","","","","has coordinates","305369","2026-04-05","12:06:34",""
"7720700","26.7473","0.0016","4.1884","0.0002","4.6017","0.0003","90","","90.001","0.002","90","","515.52","0.05","299","2","299","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C2 H6 F4 O6 P2 Th2 -","- C2 H6 F4 O6 P2 Th2 -","- C4 H12 F8 O12 P4 Th4 -","2","0.25","","Mehra, Rupansha; Vidyasagar, Kanamaluru","Syntheses and characterization of non-molecular phenyl- and methyl-phosphonates and ethylenediphosphonates of thorium and cerium.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5250","5265","10.1039/d6dt00270f","","","0.71073","MoKα","","0.037","0.0353","","","0.089","0.0981","","","","","","1.353","","","","has coordinates","305369","2026-04-05","12:06:34",""
"7720701","10.1566","0.0002","9.0019","0.0002","10.5609","0.0003","90","","115.445","0.001","90","","871.91","0.04","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C2 H7 F O7 P2 Th -","- C2 H7 F O7 P2 Th -","- C8 H28 F4 O28 P8 Th4 -","4","1","","Mehra, Rupansha; Vidyasagar, Kanamaluru","Syntheses and characterization of non-molecular phenyl- and methyl-phosphonates and ethylenediphosphonates of thorium and cerium.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5250","5265","10.1039/d6dt00270f","","","0.71073","MoKα","","0.0209","0.0172","","","0.031","0.0321","","","","","","1.049","","","","has coordinates","305369","2026-04-05","12:06:34",""
"7720702","5.3755","0.0011","8.1182","0.0019","10.143","0.002","73.825","0.011","83.835","0.011","73.629","0.01","407.68","0.15","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C2 H0 Ce O6 P2 -","- C2 Ce O6 P2 -","- C4 Ce2 O12 P4 -","2","1","","Mehra, Rupansha; Vidyasagar, Kanamaluru","Syntheses and characterization of non-molecular phenyl- and methyl-phosphonates and ethylenediphosphonates of thorium and cerium.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5250","5265","10.1039/d6dt00270f","","","0.71073","MoKα","","0.0962","0.0697","","","0.1609","0.1785","","","","","","1.018","","","","has coordinates","305369","2026-04-05","12:06:34",""
"7720703","5.0035","0.0003","7.5923","0.0005","11.9383","0.0009","78.114","0.006","82.77","0.006","81.684","0.006","436.96","0.05","150.15","","150.15","","","","","","","","","6","P -1","-P 1","2","","","","- C5 H5 Br I N3 O -","- C5 H5 Br I N3 O -","- C10 H10 Br2 I2 N6 O2 -","2","1","","Duan, Meng-Fan; Mao, Jiang-Gao; Yang, Bing-Ping","Pyrazinamide-IBr: an organic-inorganic hybrid crystal exhibiting giant optical anisotropy.","Dalton transactions (Cambridge, England : 2003)","2026","55","15","6002","6007","10.1039/d6dt00414h","","","0.71073","MoKα","","0.0633","0.0393","","","0.0583","0.068","","","","","","0.911","","","","has coordinates","305831","2026-05-05","09:19:11",""
"7720704","16.5275","0.0003","16.5275","0.0003","6.7967","0.0002","90","","90","","120","","1607.84","0.06","100","2","100","2","","","","","","","","5","P -3","-P 3","147","","","","- C14 H32 Fe0.67 N2 O12 -","- C14 H32 Fe0.666667 N2 O12 -","- C42 H96 Fe2 N6 O36 -","3","0.5","","Raza, Arsen; Carneiro Neto, José Severiano; Lanza, Arianna; Bendix, Jesper; Briganti, Matteo; Sorace, Lorenzo; Perfetti, Mauro","Synthesis, structure, and magnetic properties of Fe<sup>3+</sup> and Ru<sup>3+</sup> metal chalcogenide (O,S) complexes with bidentate ligands.","Dalton transactions (Cambridge, England : 2003)","2026","55","21","8119","8127","10.1039/d6dt00055j","","","0.71073","MoKa","","0.0497","0.0393","","","0.1019","0.1088","","","","","","1.021","","","","has coordinates","306434","2026-06-05","19:09:33",""
"7720705","16.635","0.0003","16.635","0.0003","6.7695","0.0002","90","","90","","120","","1622.31","0.06","100","2","100","2","","","","","","","","5","P -3","-P 3","147","","","","- C7 H16 N O6 Ru0.33 -","- C7 H16 N O6 Ru0.333333 -","- C42 H96 N6 O36 Ru2 -","6","1","","Raza, Arsen; Carneiro Neto, José Severiano; Lanza, Arianna; Bendix, Jesper; Briganti, Matteo; Sorace, Lorenzo; Perfetti, Mauro","Synthesis, structure, and magnetic properties of Fe<sup>3+</sup> and Ru<sup>3+</sup> metal chalcogenide (O,S) complexes with bidentate ligands.","Dalton transactions (Cambridge, England : 2003)","2026","55","21","8119","8127","10.1039/d6dt00055j","","","0.71073","MoKα","","0.0344","0.0312","","","0.0753","0.0765","","","","","","1.053","","","","has coordinates","306434","2026-06-05","19:09:33",""
"7720706","12.3716","0.0007","8.8491","0.0006","20.2098","0.0014","90","","99.749","0.002","90","","2180.6","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 Cl4 N3 O2 Os -","- C18 H20 Cl4 N3 O2 Os -","- C72 H80 Cl16 N12 O8 Os4 -","4","1","","Raza, Arsen; Carneiro Neto, José Severiano; Lanza, Arianna; Bendix, Jesper; Briganti, Matteo; Sorace, Lorenzo; Perfetti, Mauro","Synthesis, structure, and magnetic properties of Fe<sup>3+</sup> and Ru<sup>3+</sup> metal chalcogenide (O,S) complexes with bidentate ligands.","Dalton transactions (Cambridge, England : 2003)","2026","55","21","8119","8127","10.1039/d6dt00055j","","","0.71073","MoKα","","0.0427","0.0396","","","0.0974","0.0989","","","","","","1.125","","","","has coordinates,has disorder","306434","2026-06-05","19:09:33",""
"7720707","13.922","0.003","13.922","0.003","41.85","0.004","90","","90","","120","","7025","2","293","2","293","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C42 H49 N6 Na O7 Ru2 S6 -","- C42 H48 N6 Na O7 Ru2 S6 -","- C252 H288 N36 Na6 O42 Ru12 S36 -","6","0.166667","","Raza, Arsen; Carneiro Neto, José Severiano; Lanza, Arianna; Bendix, Jesper; Briganti, Matteo; Sorace, Lorenzo; Perfetti, Mauro","Synthesis, structure, and magnetic properties of Fe<sup>3+</sup> and Ru<sup>3+</sup> metal chalcogenide (O,S) complexes with bidentate ligands.","Dalton transactions (Cambridge, England : 2003)","2026","55","21","8119","8127","10.1039/d6dt00055j","single crystal","electron","0.0251","electron","","0.2048","0.1492","","","0.4222","0.4598","","","","","","1.116","","","","has coordinates","306434","2026-06-05","19:09:33",""
"7720708","15.4731","0.0004","17.4895","0.0004","19.7349","0.0005","110.166","0.0012","111.601","0.0012","92.7788","0.0012","4566","0.2","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C92.09 H99.09 Cl9.25 In2 N4 O5 -","- C92.0833 H99.0833 Cl9.2499 In2 N4 O5 -","- C184.167 H198.167 Cl18.4998 In4 N8 O10 -","2","1","","Kim, Yoseph; Lee, Ji Hye; Moon, Hyeongkwon; Mo, Himchan; Hwang, Hyonseok; Lee, Junseong; Park, Jun Hui; Kim, Youngjo; Park, Myung Hwan","Xanthene-anchored salen-based open and closed dinuclear indium complexes: synthesis and photophysical properties.","Dalton transactions (Cambridge, England : 2003)","2026","55","20","7840","7847","10.1039/d6dt00428h","","","0.71073","MoKα","","0.0594","0.0438","","","0.1076","0.117","","","","","","1.049","","","","has coordinates,has disorder","306403","2026-06-05","19:05:05",""
"7720709","15.0203","0.0006","15.3837","0.0007","20.1621","0.0009","88.505","0.002","86.216","0.002","75.336","0.002","4497","0.3","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C108 H118 In2 N4 O6 -","- C108 H118 In2 N4 O6 -","- C216 H236 In4 N8 O12 -","2","1","","Kim, Yoseph; Lee, Ji Hye; Moon, Hyeongkwon; Mo, Himchan; Hwang, Hyonseok; Lee, Junseong; Park, Jun Hui; Kim, Youngjo; Park, Myung Hwan","Xanthene-anchored salen-based open and closed dinuclear indium complexes: synthesis and photophysical properties.","Dalton transactions (Cambridge, England : 2003)","2026","55","20","7840","7847","10.1039/d6dt00428h","","","0.71073","MoKα","","0.1161","0.0653","","","0.1623","0.1899","","","","","","1.029","","","","has coordinates","306403","2026-06-05","19:05:05",""
"7720710","15.8029","0.0005","15.8029","0.0005","24.1268","0.0009","90","","90","","120","","5218","0.3","193","2","193","2","","","","","","","","6","P 65","P 65","170","","","","- C27 H41 Dy N3 O10 P3 -","- C27 H41 Dy N3 O10 P3 -","- C162 H246 Dy6 N18 O60 P18 -","6","1","","Zhai, Zhi-Min; Bao, Song-Song; Xu, Yan; Teng, Qian; Zheng, Li-Min","Chiral inversion of macroscopic helical structures in coordination polymers induced by lanthanide ions.","Dalton transactions (Cambridge, England : 2003)","2026","55","15","6074","6084","10.1039/d5dt03094c","","","0.71073","MoKα","","0.0974","0.0909","","","0.235","0.244","","","","","","1.076","","","","has coordinates","306414","2026-06-05","19:06:52",""
"7720711","17.08","0.005","24.524","0.007","26.27","0.008","90","","94.552","0.005","90","","10969","6","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C162 H272 N22 O83 P18 Sm6 -","- C162 H237 N22 O83 P18 Sm6 -","- C324 H474 N44 O166 P36 Sm12 -","2","1","","Zhai, Zhi-Min; Bao, Song-Song; Xu, Yan; Teng, Qian; Zheng, Li-Min","Chiral inversion of macroscopic helical structures in coordination polymers induced by lanthanide ions.","Dalton transactions (Cambridge, England : 2003)","2026","55","15","6074","6084","10.1039/d5dt03094c","","","0.71073","MoKα","","0.0994","0.0682","","","0.1452","0.1659","","","","","","1.007","","","","has coordinates","306414","2026-06-05","19:06:52",""
"7720712","15.7587","0.0003","15.7587","0.0003","24.2133","0.0006","90","","90","","120","","5207.45","0.19","193","2","193","2","","","","","","","","6","P 65","P 65","170","","","","- C27 H41 N3 O10 P3 Sm -","- C27 H41 N3 O10 P3 Sm -","- C162 H246 N18 O60 P18 Sm6 -","6","1","","Zhai, Zhi-Min; Bao, Song-Song; Xu, Yan; Teng, Qian; Zheng, Li-Min","Chiral inversion of macroscopic helical structures in coordination polymers induced by lanthanide ions.","Dalton transactions (Cambridge, England : 2003)","2026","55","15","6074","6084","10.1039/d5dt03094c","","","0.71073","MoKα","","0.0645","0.0611","","","0.1722","0.1776","","","","","","1.077","","","","has coordinates","306414","2026-06-05","19:06:52",""
"7720713","15.7581","0.0003","15.7581","0.0003","24.073","0.0007","90","","90","","120","","5176.9","0.2","193","2","193","2","","","","","","","","6","P 65","P 65","170","","","","- C27 H41 N3 O10 P3 Tb -","- C27 H41 N3 O10 P3 Tb -","- C162 H246 N18 O60 P18 Tb6 -","6","1","","Zhai, Zhi-Min; Bao, Song-Song; Xu, Yan; Teng, Qian; Zheng, Li-Min","Chiral inversion of macroscopic helical structures in coordination polymers induced by lanthanide ions.","Dalton transactions (Cambridge, England : 2003)","2026","55","15","6074","6084","10.1039/d5dt03094c","","","0.71073","MoKα","","0.0722","0.0642","","","0.175","0.1837","","","","","","1.098","","","","has coordinates","306414","2026-06-05","19:06:52",""
"7720714","15.7508","0.0006","15.7508","0.0006","24.0699","0.0011","90","","90","","120","","5171.4","0.4","193","2","193","2","","","","","","","","6","P 65","P 65","170","","","","- C27 H39 Ho N3 O9 P3 -","- C27 H39 Ho N3 O9 P3 -","- C162 H234 Ho6 N18 O54 P18 -","6","1","","Zhai, Zhi-Min; Bao, Song-Song; Xu, Yan; Teng, Qian; Zheng, Li-Min","Chiral inversion of macroscopic helical structures in coordination polymers induced by lanthanide ions.","Dalton transactions (Cambridge, England : 2003)","2026","55","15","6074","6084","10.1039/d5dt03094c","","","0.71073","MoKα","","0.1283","0.1113","","","0.2881","0.3076","","","","","","1.053","","","","has coordinates","306414","2026-06-05","19:06:52",""
"7720715","26.562","0.003","18.3118","0.0019","20.898","0.002","90","","109.476","0.006","90","","9583.1","1.8","240","2","240","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C88 H116 Cl3 Eu N8 O24 -","- C84 H92 Cl3 Eu N8 O16 -","- C336 H368 Cl12 Eu4 N32 O64 -","4","0.5","","Gao, Fengxin; Fang, Dong; Xiao, Chengliang","Effect of alkyl substituent on the amide of bis-lactam-1,10-phenanthroline ligands for lanthanide extraction.","Dalton transactions (Cambridge, England : 2003)","2026","55","14","5679","5688","10.1039/d5dt03012a","","x-ray","1.54178","CuKα","","0.0704","0.0619","","","0.1696","0.1786","","","","","","0.972","","","","has coordinates,has disorder","305807","2026-05-05","09:13:20",""
"7720716","10.7123","0.0003","34.4168","0.0011","24.4695","0.0008","90","","94.404","0.002","90","","8994.9","0.5","240","2","240","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C343 H384 Cl12 Er8 N56 O91 -","- C343 H384 Cl12 Er8 N56 O91 -","- C343 H384 Cl12 Er8 N56 O91 -","1","0.25","","Gao, Fengxin; Fang, Dong; Xiao, Chengliang","Effect of alkyl substituent on the amide of bis-lactam-1,10-phenanthroline ligands for lanthanide extraction.","Dalton transactions (Cambridge, England : 2003)","2026","55","14","5679","5688","10.1039/d5dt03012a","","","1.54178","CuKα","","0.1486","0.0746","","","0.1682","0.2188","","","","","","1.015","","","","has coordinates,has disorder","305807","2026-05-05","09:13:20",""
"7720717","17.5811","0.0011","22.9896","0.0014","17.819","0.0012","90","","93.358","0.006","90","","7189.8","0.8","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C54 H74 Cu2 F18 N10 P3 -","- C54 H74 Cu2 F18 N10 P3 -","- C216 H296 Cu8 F72 N40 P12 -","4","0.5","","M, Thillai Natarajan; Teja, Deewan S.; Akhter, Sk Samim; Bhardwaj, Prabhakar; Kumar, Pankaj; Mallik, Bhabani S.; Padhi, Sumanta Kumar","Electrocatalytic ammonia oxidation mediated by a Cu(II) complex: a hydrazine pathway to hydrogen generation.","Dalton transactions (Cambridge, England : 2003)","2026","55","18","7111","7126","10.1039/d6dt00268d","","x-ray","0.71073","MoKα","","0.1176","0.0691","","","0.159","0.1808","","","","","","1.0002","","","","has coordinates","306423","2026-06-05","19:08:01",""
"7720718","21.354","0.003","10.5144","0.0013","21.722","0.003","90","","103.013","0.005","90","","4751.9","1.1","150","","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C33.44 H46.88 Cl4 N18 Ni2 O11 -","- C33.438 H46.876 Cl4 N18 Ni2 O11 -","- C133.752 H187.504 Cl16 N72 Ni8 O44 -","4","0.5","","Nanda Goswami, Juli; Nagappan, Sreenivasan; Sardar, Ankan; Murmu, Krishna Chandra; Haque, Najirul; De, Sudipta; Brandao, Paula; Kundu, Subrata; Dolai, Malay","<i>In situ</i> transformed binuclear Co(II) and Ni(II) complexes as electrocatalysts for the water oxidation reaction.","Dalton transactions (Cambridge, England : 2003)","2026","55","15","5920","5933","10.1039/d6dt00015k","","","0.71073","MoKα","","0.051","0.0408","","","0.1121","0.12","","","","","","1.059","","","","has coordinates,has disorder","305828","2026-05-05","09:18:58",""
"7720719","21.0445","0.0009","10.4764","0.0004","21.5082","0.0007","90","","99.329","0.001","90","","4679.2","0.3","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H38 Cl6 Co3 N16 O10 -","- C32 H38 Cl6 Co3 N18 O8 -","- C128 H152 Cl24 Co12 N72 O32 -","4","0.5","","Nanda Goswami, Juli; Nagappan, Sreenivasan; Sardar, Ankan; Murmu, Krishna Chandra; Haque, Najirul; De, Sudipta; Brandao, Paula; Kundu, Subrata; Dolai, Malay","<i>In situ</i> transformed binuclear Co(II) and Ni(II) complexes as electrocatalysts for the water oxidation reaction.","Dalton transactions (Cambridge, England : 2003)","2026","55","15","5920","5933","10.1039/d6dt00015k","","","0.71073","MoKα","","0.0305","0.0259","","","0.0691","0.0725","","","","","","0.967","","","","has coordinates","305828","2026-05-05","09:18:58",""
"7720720","21.1395","0.0017","10.7524","0.0008","21.6051","0.0017","90","","99.118","0.003","90","","4848.8","0.7","300","","300","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H44 Cl3 Co2 N19 O12 -","- C34 H44 Cl3 Co2 N19 O12 -","- C136 H176 Cl12 Co8 N76 O48 -","4","0.5","","Nanda Goswami, Juli; Nagappan, Sreenivasan; Sardar, Ankan; Murmu, Krishna Chandra; Haque, Najirul; De, Sudipta; Brandao, Paula; Kundu, Subrata; Dolai, Malay","<i>In situ</i> transformed binuclear Co(II) and Ni(II) complexes as electrocatalysts for the water oxidation reaction.","Dalton transactions (Cambridge, England : 2003)","2026","55","15","5920","5933","10.1039/d6dt00015k","","","0.71073","MoKα","","0.0634","0.0568","","","0.1802","0.189","","","","","","1.082","","","","has coordinates,has disorder","305828","2026-05-05","09:18:58",""
"7720721","9.4058","0.0003","11.9319","0.0004","14.077","0.0004","96.601","0.001","106.549","0.001","110.916","0.001","1372.59","0.08","250","2","250","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H23 Cl Ni O3 P2 -","- C31 H23 Cl Ni O3 P2 -","- C62 H46 Cl2 Ni2 O6 P4 -","2","1","","R.-Galindo, Jordi; Oviedo-Ortiz, Sebastian; Arenaza-Corona, Antonino; Ruiz-Martinez, Adrian; Serrano-García, Juan Sebastián; Hernandez Ortega, Simon; Flores-Alamo, Marcos; Hollis, T. Keith; Morales-Morales, David","Novel non-symmetric POCOP-Ni(II) pincer complexes derived from 2,4-dihydroxybenzaldehyde","Dalton Transactions","2026","","","","","10.1039/D6DT00442C","","","0.71073","MoKα","","0.087","0.0576","","","0.0739","0.0826","","","","","","1.15","","","","has coordinates","305145","2026-03-19","00:19:28",""
"7720722","7.3791","0.0001","11.8651","0.0002","12.6163","0.0002","90","","90","","90","","1104.6","0.03","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 N O2 -","- C11 H15 N O2 -","- C44 H60 N4 O8 -","4","1","","R.-Galindo, Jordi; Oviedo-Ortiz, Sebastian; Arenaza-Corona, Antonino; Ruiz-Martinez, Adrian; Serrano-García, Juan Sebastián; Hernandez Ortega, Simon; Flores-Alamo, Marcos; Hollis, T. Keith; Morales-Morales, David","Novel non-symmetric POCOP-Ni(II) pincer complexes derived from 2,4-dihydroxybenzaldehyde","Dalton Transactions","2026","","","","","10.1039/D6DT00442C","","","1.54178","CuKα","","0.0265","0.0265","","","0.0699","0.0699","","","","","","1.037","","","","has coordinates","305145","2026-03-19","00:19:28",""
"7720723","9.5362","0.0007","22.0209","0.0013","21.058","0.002","90","","92.733","0.008","90","","4417.1","0.6","130","2","130","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H62 Cl Ni O6 P3 -","- C38 H62 Cl Ni O6 P3 -","- C152 H248 Cl4 Ni4 O24 P12 -","4","1","","R.-Galindo, Jordi; Oviedo-Ortiz, Sebastian; Arenaza-Corona, Antonino; Ruiz-Martinez, Adrian; Serrano-García, Juan Sebastián; Hernandez Ortega, Simon; Flores-Alamo, Marcos; Hollis, T. Keith; Morales-Morales, David","Novel non-symmetric POCOP-Ni(II) pincer complexes derived from 2,4-dihydroxybenzaldehyde","Dalton Transactions","2026","","","","","10.1039/D6DT00442C","","","0.71073","MoKα","","0.065","0.0492","","","0.0969","0.1037","","","","","","1.134","","","","has coordinates","305145","2026-03-19","00:19:28",""
"7720724","9.3788","0.0006","12.1046","0.0009","21.9764","0.0016","77.364","0.006","86.101","0.005","68.5","0.007","2264.9","0.3","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H38 Cl Ni O6 P3 -","- C50 H38 Cl Ni O6 P3 -","- C100 H76 Cl2 Ni2 O12 P6 -","2","1","","R.-Galindo, Jordi; Oviedo-Ortiz, Sebastian; Arenaza-Corona, Antonino; Ruiz-Martinez, Adrian; Serrano-García, Juan Sebastián; Hernandez Ortega, Simon; Flores-Alamo, Marcos; Hollis, T. Keith; Morales-Morales, David","Novel non-symmetric POCOP-Ni(II) pincer complexes derived from 2,4-dihydroxybenzaldehyde","Dalton Transactions","2026","","","","","10.1039/D6DT00442C","","","0.71073","MoKα","","0.1345","0.0727","","","0.1596","0.2051","","","","","","1.046","","","","has coordinates","305145","2026-03-19","00:19:28",""
"7720725","8.3255","0.0002","19.0465","0.0003","16.6445","0.0003","90","","103.448","0.002","90","","2566.98","0.09","130","2","130","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H38 Cl N Ni O2 P2 -","- C22 H38 Cl N Ni O2 P2 -","- C88 H152 Cl4 N4 Ni4 O8 P8 -","4","1","","R.-Galindo, Jordi; Oviedo-Ortiz, Sebastian; Arenaza-Corona, Antonino; Ruiz-Martinez, Adrian; Serrano-García, Juan Sebastián; Hernandez Ortega, Simon; Flores-Alamo, Marcos; Hollis, T. Keith; Morales-Morales, David","Novel non-symmetric POCOP-Ni(II) pincer complexes derived from 2,4-dihydroxybenzaldehyde","Dalton Transactions","2026","","","","","10.1039/D6DT00442C","","x-ray","1.54184","CuKα","","0.0338","0.0285","","","0.0706","0.0737","","","","","","1.056","","","","has coordinates","305145","2026-03-19","00:19:28",""
"7720726","5.3542","0.0002","33.0648","0.0011","10.748","0.0005","90","","96.15","0.004","90","","1891.83","0.13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H21 Co N O9 -","- C14 H15 Co N O8 -","- C56 H60 Co4 N4 O32 -","4","1","","Ma, Xiong-Feng; Miao, Zhuang; Deng, Xiaodun; Hou, Hongping; Li, Wenke; Liu, Yangyang; Xi, Chengyu; Zhang, Rong; Zhou, Zhihuan; Ai, Chaoqian; Du, Hongliang","Ultrasonication-induced Co-based metal-organic framework nanoparticles for red-light photocatalytic aerobic oxidation.","Dalton transactions (Cambridge, England : 2003)","2026","55","15","6067","6073","10.1039/d5dt01720c","","","1.54184","CuKα","","0.0851","0.0766","","","0.2132","0.2243","","","","","","1.0245","","","","has coordinates","305830","2026-05-05","09:19:08",""
"7720727","16.5963","0.0004","16.5963","0.0004","21.9862","0.0005","90","","90","","120","","5244.5","0.2","200","2","200","2","","","","","","","","6","P 3 1 c","P 3 -2c","159","","Cu4-NO3","","- C112 H115 Cu4 N7 O11 P4 -","- C112 H115 Cu4 N7 O11 P4 -","- C224 H230 Cu8 N14 O22 P8 -","2","0.333333","","Huo, Nan-Nan; Zhang, De-Ke; Wei, Yu-Zhen; Luo, Peng; Li, Si","Construction of bowl-shaped copper clusters and nitrate-selective sensing.","Dalton transactions (Cambridge, England : 2003)","2026","55","15","6015","6023","10.1039/d6dt00475j","","","0.71073","MoKα","","0.0517","0.0435","","","0.1045","0.1091","","","","","","1.047","","","","has coordinates,has disorder","305834","2026-05-05","09:19:48",""
"7720728","12.8402","0.0003","14.4817","0.0003","50.9851","0.0008","90","","95.34","0.002","90","","9439.4","0.3","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C106 H97 Cl Cu4 N6 O8 P4 -","- C106 H97 Cl Cu4 N6 O8 P4 -","- C424 H388 Cl4 Cu16 N24 O32 P16 -","4","1","","Huo, Nan-Nan; Zhang, De-Ke; Wei, Yu-Zhen; Luo, Peng; Li, Si","Construction of bowl-shaped copper clusters and nitrate-selective sensing.","Dalton transactions (Cambridge, England : 2003)","2026","55","15","6015","6023","10.1039/d6dt00475j","","","0.71073","MoKα","","0.0748","0.0459","","","0.0871","0.0947","","","","","","1.034","","","","has coordinates,has disorder","305834","2026-05-05","09:19:48",""
"7720729","25.6195","0.0006","14.7688","0.0003","27.4973","0.0006","90","","96.158","0.002","90","","10344.1","0.4","200","0.1","200","0.1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","Cu4-PF6","","- C109 H107 Cl Cu4 F6 N6 O6.5 P5 -","- C109 H107 Cl Cu4 F6 N6 O6.4999 P5 -","- C436 H427.998 Cl4 Cu16 F24 N24 O25.9996 P20 -","4","1","","Huo, Nan-Nan; Zhang, De-Ke; Wei, Yu-Zhen; Luo, Peng; Li, Si","Construction of bowl-shaped copper clusters and nitrate-selective sensing.","Dalton transactions (Cambridge, England : 2003)","2026","55","15","6015","6023","10.1039/d6dt00475j","","x-ray","0.71073","MoKα","","0.0727","0.0462","","","0.1045","0.1134","","","","","","1.01","","","","has coordinates,has disorder","305834","2026-05-05","09:19:48",""
"7720730","12.814","0.0001","14.4603","0.0001","50.8898","0.0004","90","","95.348","0.001","90","","9388.54","0.12","200","","200","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","Cu4-BF4","","- C106 H97 B Cu4 F4 N6 O4 P4 -","- C106 H97 B Cu4 F4 N6 O4 P4 -","- C424 H388 B4 Cu16 F16 N24 O16 P16 -","4","1","","Huo, Nan-Nan; Zhang, De-Ke; Wei, Yu-Zhen; Luo, Peng; Li, Si","Construction of bowl-shaped copper clusters and nitrate-selective sensing.","Dalton transactions (Cambridge, England : 2003)","2026","55","15","6015","6023","10.1039/d6dt00475j","","x-ray","1.54184","CuKα","","0.0429","0.0393","","","0.1068","0.1097","","","","","","1.02","","","","has coordinates,has disorder","305834","2026-05-05","09:19:48",""
"7720731","14.8024","0.0002","20.9403","0.0003","31.9803","0.0004","91.799","0.001","90.084","0.001","94.367","0.001","9879.1","0.2","200","","200","","","","","","","","","6","P -1","-P 1","2","","Cu4-HCOO","","- C218 H214 Cu8 N12 O17 P8 -","- C215 H202.005 Cu8 N12 O14 P8 -","- C430 H404.01 Cu16 N24 O28 P16 -","2","1","","Huo, Nan-Nan; Zhang, De-Ke; Wei, Yu-Zhen; Luo, Peng; Li, Si","Construction of bowl-shaped copper clusters and nitrate-selective sensing.","Dalton transactions (Cambridge, England : 2003)","2026","55","15","6015","6023","10.1039/d6dt00475j","","x-ray","1.54184","CuKα","","0.0725","0.0591","","","0.1496","0.1585","","","","","","1.054","","","","has coordinates,has disorder","305834","2026-05-05","09:19:48",""
"7720732","15.7832","0.0008","23.2072","0.0012","5.632","0.0002","90","","90","","90","","2062.91","0.17","120","2","120","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C10 H22 Ag3 N5 O13 -","- C10 H22 Ag3 N5 O13 -","- C40 H88 Ag12 N20 O52 -","4","1","","Kuzderová, Gabriela; Gyepes, Róbert; Liška, Alan; Havlíčková, Jana; Vilková, Mária; Žiláková, Simona; Kello, Martin; Pagáč, Tomáš; Olejníková, Petra; Petrovová, Eva; Balažová, Ľudmila; Matajová, Henrieta; Kožurková, Mária; Sabolová, Danica; Rendošová, Michaela; Vargová, Zuzana","Integrating experimental and theoretical approaches to unveil structure-bioactivity relationships in silver(I) <i>N</i>-substituted glycine complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","18","7062","7094","10.1039/d5dt03032c","","","0.71073","MoKα","","0.0157","0.0154","","","0.0374","0.0375","","","","","","1.068","","","","has coordinates","306424","2026-06-05","19:08:10",""
"7720733","5.9666","0.0003","8.4114","0.0004","13.8333","0.0006","90","","101.712","0.002","90","","679.8","0.06","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C3 H7 Ag N2 O5 -","- C3 H7 Ag N2 O5 -","- C12 H28 Ag4 N8 O20 -","4","1","","Kuzderová, Gabriela; Gyepes, Róbert; Liška, Alan; Havlíčková, Jana; Vilková, Mária; Žiláková, Simona; Kello, Martin; Pagáč, Tomáš; Olejníková, Petra; Petrovová, Eva; Balažová, Ľudmila; Matajová, Henrieta; Kožurková, Mária; Sabolová, Danica; Rendošová, Michaela; Vargová, Zuzana","Integrating experimental and theoretical approaches to unveil structure-bioactivity relationships in silver(I) <i>N</i>-substituted glycine complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","18","7062","7094","10.1039/d5dt03032c","","","0.71073","MoKα","","0.0164","0.015","","","0.0348","0.0353","","","","","","1.115","","","","has coordinates","306424","2026-06-05","19:08:10",""
"7720734","5.459","0.0003","10.2449","0.0005","14.3112","0.0008","90","","93.669","0.002","90","","798.74","0.07","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H9 Ag N2 O5 -","- C4 H9 Ag N2 O5 -","- C16 H36 Ag4 N8 O20 -","4","1","","Kuzderová, Gabriela; Gyepes, Róbert; Liška, Alan; Havlíčková, Jana; Vilková, Mária; Žiláková, Simona; Kello, Martin; Pagáč, Tomáš; Olejníková, Petra; Petrovová, Eva; Balažová, Ľudmila; Matajová, Henrieta; Kožurková, Mária; Sabolová, Danica; Rendošová, Michaela; Vargová, Zuzana","Integrating experimental and theoretical approaches to unveil structure-bioactivity relationships in silver(I) <i>N</i>-substituted glycine complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","18","7062","7094","10.1039/d5dt03032c","","","0.71073","MoKα","","0.0135","0.013","","","0.0317","0.0319","","","","","","1.159","","","","has coordinates","306424","2026-06-05","19:08:10",""
"7720735","10.5489","0.0005","10.6993","0.0005","7.6411","0.0004","90","","109.014","0.005","90","","815.36","0.07","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- H8 Mg Mo4 N2 O18 Te2 -","- H8 Mg Mo4 N2 O18 Te2 -","- H16 Mg2 Mo8 N4 O36 Te4 -","2","0.5","","He, Chang-Yuan; Hu, Kun; Zhou, Jing-Yang; Wu, Long; Zhang, Jian-Han","Optical anisotropy in Mo-Te-O frameworks constructed from distorted MoO<sub>6</sub> and TeO<sub>3</sub> units.","Dalton transactions (Cambridge, England : 2003)","2026","55","15","6085","6096","10.1039/d6dt00289g","","x-ray","0.71073","MoKα","","0.0308","0.0264","","","0.0639","0.0655","","","","","","1.061","","","","has coordinates","305827","2026-05-05","09:18:49",""
"7720736","15.4952","0.0005","4.9198","0.0001","15.8874","0.0005","90","","111.723","0.004","90","","1125.14","0.06","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- Mo O7 Te2 -","- Mo O7 Te2 -","- Mo8 O56 Te16 -","8","2","","He, Chang-Yuan; Hu, Kun; Zhou, Jing-Yang; Wu, Long; Zhang, Jian-Han","Optical anisotropy in Mo-Te-O frameworks constructed from distorted MoO<sub>6</sub> and TeO<sub>3</sub> units.","Dalton transactions (Cambridge, England : 2003)","2026","55","15","6085","6096","10.1039/d6dt00289g","","x-ray","0.71073","MoKα","","0.0286","0.0228","","","0.0492","0.0508","","","","","","1.121","","","","has coordinates","305827","2026-05-05","09:18:49",""
"7720737","11.0077","0.0007","7.3991","0.0005","15.8713","0.0011","90","","106.143","0.002","90","","1241.7","0.14","273.15","","273.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","EDTAQUIN","","- C28 H28 N6 O6 -","- C28 H28 N6 O6 -","- C56 H56 N12 O12 -","2","0.5","","Shaw, Ashwini Kumari; Shukla, Nitin; Patra, Ashis K.","Rational design and evaluation of the sensing mechanism of a europium(III)-based luminescent turn-ON chemosensor for citrate.","Dalton transactions (Cambridge, England : 2003)","2026","55","16","6545","6557","10.1039/d5dt02901e","","x-ray","0.71073","MoKα","","0.0902","0.0812","","","0.153","0.157","","","","","","1.224","","","","has coordinates","306402","2026-06-05","19:04:53",""
"7720738","12.4548","0.0006","12.6126","0.0005","14.7731","0.0006","90","","112.161","0.005","90","","2149.23","0.18","99.97","0.12","99.97","0.12","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C30 H50 Au2 F12 N4 O2 P2 Sb2 -","- C30 H50 Au2 F12 N4 O2 P2 Sb2 -","- C60 H100 Au4 F24 N8 O4 P4 Sb4 -","2","0.5","","Jordan, Emma J.; Greene, Bethan L.; English, Laura E.; Tait, Ellen M.; Davies, Paul W.; Jupp, Andrew R.","Gold(I) dimers with hemilabile azophosphine ligands in catalysis.","Dalton transactions (Cambridge, England : 2003)","2026","55","15","6008","6014","10.1039/d6dt00553e","","x-ray","1.54184","CuKα","","0.0438","0.0356","","","0.0897","0.0958","","","","","","1.042","","","","has coordinates","305825","2026-05-05","09:18:20",""
"7720739","12.2138","0.0003","11.6076","0.0003","14.2495","0.0004","90","","114.331","0.003","90","","1840.76","0.09","99.95","0.15","99.95","0.15","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C15 H25 Au Cl N2 O P -","- C15 H25 Au Cl N2 O P -","- C60 H100 Au4 Cl4 N8 O4 P4 -","4","1","","Jordan, Emma J.; Greene, Bethan L.; English, Laura E.; Tait, Ellen M.; Davies, Paul W.; Jupp, Andrew R.","Gold(I) dimers with hemilabile azophosphine ligands in catalysis.","Dalton transactions (Cambridge, England : 2003)","2026","55","15","6008","6014","10.1039/d6dt00553e","","x-ray","1.54184","CuKα","","0.0293","0.0227","","","0.0519","0.0559","","","","","","1.059","","","","has coordinates","305825","2026-05-05","09:18:20",""
"7720740","19.8111","0.0001","19.2568","0.0001","12.0048","0.0001","90","","105.881","0.001","90","","4405.01","0.05","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","chrmium (III) bipyridines","","- C41 H40 Cr F9 N6 O9 S3 -","- C41 H40 Cr F9 N6 O9 S3 -","- C164 H160 Cr4 F36 N24 O36 S12 -","4","1","","Amer, Aya S. I.; Alazaly, Ahmed; El-Jemni, Mahmoud A; Hassan, Hamdy H.; Abdel-Samad, Hesham S; Abdel-Shafi, Ayman A","The role of exciplex charge-transfer character and reorganization energy in steering oxygen-quenching pathways of chromium(III) excited states.","Dalton transactions (Cambridge, England : 2003)","2026","55","16","6373","6389","10.1039/d6dt00398b","","x-ray","1.54184","CuKα","","0.0354","0.0337","","","0.0888","0.09","","","","","","1.079","","","","has coordinates","305804","2026-05-05","09:12:38",""
"7720741","10.3231","0.00008","13.17947","0.00011","19.03913","0.00012","104.394","0.0006","93.7452","0.0006","113.006","0.0008","2270.79","0.03","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C38 H27 Cr F9 N7.5 O9.5 S3 -","- C38 H27 Cr F9 N7.5 O9.5 S3 -","- C76 H54 Cr2 F18 N15 O19 S6 -","2","1","","Amer, Aya S. I.; Alazaly, Ahmed; El-Jemni, Mahmoud A; Hassan, Hamdy H.; Abdel-Samad, Hesham S; Abdel-Shafi, Ayman A","The role of exciplex charge-transfer character and reorganization energy in steering oxygen-quenching pathways of chromium(III) excited states.","Dalton transactions (Cambridge, England : 2003)","2026","55","16","6373","6389","10.1039/d6dt00398b","","x-ray","1.54184","CuKα","","0.0726","0.0717","","","0.2048","0.2057","","","","","","1.033","","","","has coordinates,has disorder","305804","2026-05-05","09:12:38",""
"7720742","11.738","0.0002","13.1525","0.0003","24.7311","0.0005","90","","94.666","0.002","90","","3805.43","0.13","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Au(ImPy)Indomethacin]","","","- C44 H41 Au Cl N3 O4 -","- C44 H41 Au Cl N3 O4 -","- C176 H164 Au4 Cl4 N12 O16 -","4","1","","Bracho Pozsoni, Nestor; Donati, Chiara; Rigon, Laura; Bouye, Fatima Ali; Planckaert, Tom; Tzouras, Nikolaos V.; Van Hecke, Kristof; Gandin, Valentina; Scattolin, Thomas; Nolan, Steven P.","Gold(I)-indomethacin anticancer candidates with anti-breast cancer stem cell properties.","Dalton transactions (Cambridge, England : 2003)","2026","55","15","5960","5969","10.1039/d6dt00194g","","","0.71073","MoKα","","0.0542","0.0346","","","0.0611","0.0684","","","","","","1.023","","","","has coordinates","305824","2026-05-05","09:18:16",""
"7720743","13.2428","0.0002","16.2863","0.0002","25.3279","0.0004","90","","104.54","0.002","90","","5287.67","0.14","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H57 Au Cl7 N3 O4 -","- C48 H55 Au Cl N3 O4 -","- C192 H220 Au4 Cl4 N12 O16 -","4","1","","Bracho Pozsoni, Nestor; Donati, Chiara; Rigon, Laura; Bouye, Fatima Ali; Planckaert, Tom; Tzouras, Nikolaos V.; Van Hecke, Kristof; Gandin, Valentina; Scattolin, Thomas; Nolan, Steven P.","Gold(I)-indomethacin anticancer candidates with anti-breast cancer stem cell properties.","Dalton transactions (Cambridge, England : 2003)","2026","55","15","5960","5969","10.1039/d6dt00194g","","","0.71073","MoKα","","0.0367","0.0277","","","0.0525","0.055","","","","","","1.019","","","","has coordinates","305824","2026-05-05","09:18:16",""
"7720744","16.0824","0.0004","10.9308","0.0002","17.8822","0.0004","90","","107.99","0.002","90","","2989.89","0.12","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[Au(ItBu)Indomethacin]","","","- C30 H35 Au Cl N3 O4 -","- C30 H35 Au Cl N3 O4 -","- C120 H140 Au4 Cl4 N12 O16 -","4","1","","Bracho Pozsoni, Nestor; Donati, Chiara; Rigon, Laura; Bouye, Fatima Ali; Planckaert, Tom; Tzouras, Nikolaos V.; Van Hecke, Kristof; Gandin, Valentina; Scattolin, Thomas; Nolan, Steven P.","Gold(I)-indomethacin anticancer candidates with anti-breast cancer stem cell properties.","Dalton transactions (Cambridge, England : 2003)","2026","55","15","5960","5969","10.1039/d6dt00194g","","","0.71073","MoKα","","0.0263","0.0213","","","0.0417","0.0435","","","","","","1.053","","","","has coordinates","305824","2026-05-05","09:18:16",""
"7720745","10.4741","0.0003","14.8105","0.0004","16.0502","0.0002","68.085","0.002","82.881","0.002","89.55","0.002","2290.09","0.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","[Au(SIPr)Indomethacin]","","","- C50 H61 Au Cl N3 O5 -","- C46 H53 Au Cl N3 O4 -","- C92 H106 Au2 Cl2 N6 O8 -","2","1","","Bracho Pozsoni, Nestor; Donati, Chiara; Rigon, Laura; Bouye, Fatima Ali; Planckaert, Tom; Tzouras, Nikolaos V.; Van Hecke, Kristof; Gandin, Valentina; Scattolin, Thomas; Nolan, Steven P.","Gold(I)-indomethacin anticancer candidates with anti-breast cancer stem cell properties.","Dalton transactions (Cambridge, England : 2003)","2026","55","15","5960","5969","10.1039/d6dt00194g","","","0.71073","MoKα","","0.0516","0.0392","","","0.0769","0.0823","","","","","","1.034","","","","has coordinates","305824","2026-05-05","09:18:16",""
"7720746","9.486","0.002","19.36","0.004","19.735","0.004","90","","90","","90","","3624.3","1.3","100","2","100","2","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C31 H43 Cl5 N2 Pd Sn -","- C31 H43 Cl5 N2 Pd Sn -","- C124 H172 Cl20 N8 Pd4 Sn4 -","4","0.5","","Botter, Eleonora; Lauteri, Valentina; Rubbi, Alessandro; Orian, Laura; Forner, Matteo; Gandin, Valentina; Demitri, Nicola; Canzonieri, Vincenzo; Rizzolio, Flavio; Cavarzerani, Enrico; Visentin, Fabiano; Scattolin, Thomas","Insertion of SnCl<sub>2</sub> into the Pd-Cl bond: mechanistic elucidation and antitumor evaluation of trichlorostannyl palladium-NHC allyl complexes in ovarian cancer models.","Dalton transactions (Cambridge, England : 2003)","2026","55","16","6351","6372","10.1039/d6dt00680a","","","0.62","Synchrotron","","0.0281","0.0273","","","0.0755","0.0761","","","","","","1.026","","","","has coordinates,has disorder","306401","2026-06-05","19:04:49",""
"7720747","10.459","0.002","11.488","0.002","12.712","0.003","91.66","0.03","95.76","0.03","116.71","0.03","1352.8","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H31 Cl3 N2 Pd Sn -","- C24 H31 Cl3 N2 Pd Sn -","- C48 H62 Cl6 N4 Pd2 Sn2 -","2","1","","Botter, Eleonora; Lauteri, Valentina; Rubbi, Alessandro; Orian, Laura; Forner, Matteo; Gandin, Valentina; Demitri, Nicola; Canzonieri, Vincenzo; Rizzolio, Flavio; Cavarzerani, Enrico; Visentin, Fabiano; Scattolin, Thomas","Insertion of SnCl<sub>2</sub> into the Pd-Cl bond: mechanistic elucidation and antitumor evaluation of trichlorostannyl palladium-NHC allyl complexes in ovarian cancer models.","Dalton transactions (Cambridge, England : 2003)","2026","55","16","6351","6372","10.1039/d6dt00680a","","","0.62","Synchrotron","","0.0227","0.022","","","0.0565","0.057","","","","","","1.054","","","","has coordinates,has disorder","306401","2026-06-05","19:04:49",""
"7720748","10.564","0.002","11.587","0.002","13.012","0.003","92.01","0.03","95.75","0.03","116.82","0.03","1408.5","0.6","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H31 Cl3 N2 Pd Sn -","- C24 H31 Cl3 N2 Pd Sn -","- C48 H62 Cl6 N4 Pd2 Sn2 -","2","1","","Botter, Eleonora; Lauteri, Valentina; Rubbi, Alessandro; Orian, Laura; Forner, Matteo; Gandin, Valentina; Demitri, Nicola; Canzonieri, Vincenzo; Rizzolio, Flavio; Cavarzerani, Enrico; Visentin, Fabiano; Scattolin, Thomas","Insertion of SnCl<sub>2</sub> into the Pd-Cl bond: mechanistic elucidation and antitumor evaluation of trichlorostannyl palladium-NHC allyl complexes in ovarian cancer models.","Dalton transactions (Cambridge, England : 2003)","2026","55","16","6351","6372","10.1039/d6dt00680a","","","0.62","Synchrotron","","0.0674","0.0613","","","0.1587","0.1644","","","","","","1.134","","","","has coordinates,has disorder","306401","2026-06-05","19:04:49",""
"7720749","9.541","0.0019","19.387","0.004","19.905","0.004","90","","90","","90","","3681.9","1.3","200","2","200","2","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C31 H43 Cl5 N2 Pd Sn -","- C31 H43 Cl5 N2 Pd Sn -","- C124 H172 Cl20 N8 Pd4 Sn4 -","4","0.5","","Botter, Eleonora; Lauteri, Valentina; Rubbi, Alessandro; Orian, Laura; Forner, Matteo; Gandin, Valentina; Demitri, Nicola; Canzonieri, Vincenzo; Rizzolio, Flavio; Cavarzerani, Enrico; Visentin, Fabiano; Scattolin, Thomas","Insertion of SnCl<sub>2</sub> into the Pd-Cl bond: mechanistic elucidation and antitumor evaluation of trichlorostannyl palladium-NHC allyl complexes in ovarian cancer models.","Dalton transactions (Cambridge, England : 2003)","2026","55","16","6351","6372","10.1039/d6dt00680a","","","0.62","Synchrotron","","0.0288","0.0276","","","0.0795","0.0806","","","","","","1.022","","","","has coordinates,has disorder","306401","2026-06-05","19:04:49",""
"7720750","9.612","0.0019","19.423","0.004","20.112","0.004","90","","90","","90","","3754.8","1.3","298","2","298","2","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C31 H43 Cl5 N2 Pd Sn -","- C31 H43 Cl5 N2 Pd Sn -","- C124 H172 Cl20 N8 Pd4 Sn4 -","4","0.5","","Botter, Eleonora; Lauteri, Valentina; Rubbi, Alessandro; Orian, Laura; Forner, Matteo; Gandin, Valentina; Demitri, Nicola; Canzonieri, Vincenzo; Rizzolio, Flavio; Cavarzerani, Enrico; Visentin, Fabiano; Scattolin, Thomas","Insertion of SnCl<sub>2</sub> into the Pd-Cl bond: mechanistic elucidation and antitumor evaluation of trichlorostannyl palladium-NHC allyl complexes in ovarian cancer models.","Dalton transactions (Cambridge, England : 2003)","2026","55","16","6351","6372","10.1039/d6dt00680a","","","0.62","Synchrotron","","0.0571","0.0458","","","0.1392","0.1511","","","","","","1.05","","","","has coordinates,has disorder","306401","2026-06-05","19:04:49",""
"7720751","10.7","0.002","12.404","0.003","20.971","0.004","90","","97.49","0.03","90","","2759.6","1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H31 Cl3 N2 Pd Sn -","- C25 H31 Cl3 N2 Pd Sn -","- C100 H124 Cl12 N8 Pd4 Sn4 -","4","1","","Botter, Eleonora; Lauteri, Valentina; Rubbi, Alessandro; Orian, Laura; Forner, Matteo; Gandin, Valentina; Demitri, Nicola; Canzonieri, Vincenzo; Rizzolio, Flavio; Cavarzerani, Enrico; Visentin, Fabiano; Scattolin, Thomas","Insertion of SnCl<sub>2</sub> into the Pd-Cl bond: mechanistic elucidation and antitumor evaluation of trichlorostannyl palladium-NHC allyl complexes in ovarian cancer models.","Dalton transactions (Cambridge, England : 2003)","2026","55","16","6351","6372","10.1039/d6dt00680a","","","0.62","Synchrotron","","0.0223","0.0215","","","0.0536","0.0541","","","","","","1.057","","","","has coordinates","306401","2026-06-05","19:04:49",""
"7720752","9.9345","0.0003","3.01209","0.00008","4.59219","0.00013","90","","90","","90","","137.415","0.007","64.8","0.1","64.8","0.1","","","","","","","","3","P n m a","-P 2ac 2n","62","Goethite","alpha-FeOOH","","- Fe H O2 -","- Fe H O2 -","- Fe4 H4 O8 -","4","0.5","","Nambu, Yusuke; Kuwabara, Akihide; Kawamata, Masahiro; Mori, Seira; Okazaki, Megumi; Maeda, Kazuhiko","Refining hydrogen positions in α-FeOOH through combined neutron diffraction and computational techniques.","Dalton transactions (Cambridge, England : 2003)","2026","55","14","5780","5787","10.1039/d5dt00217f","powder diffraction","","1.34171","neutron","","","","","","","","","8.5233","","","","","","","","has coordinates","305812","2026-05-05","09:14:08",""
"7720753","9.952","0.0003","3.02315","0.00011","4.60287","0.00018","90","","90","","90","","138.484","0.008","377","1","377","1","","","","","","","","3","P n m a","-P 2ac 2n","62","Goethite","alpha-FeOOH","","- Fe H O2 -","- Fe H O2 -","- Fe4 H4 O8 -","4","0.5","","Nambu, Yusuke; Kuwabara, Akihide; Kawamata, Masahiro; Mori, Seira; Okazaki, Megumi; Maeda, Kazuhiko","Refining hydrogen positions in α-FeOOH through combined neutron diffraction and computational techniques.","Dalton transactions (Cambridge, England : 2003)","2026","55","14","5780","5787","10.1039/d5dt00217f","powder diffraction","","1.34171","neutron","","","","","","","","","12.0217","","","","","","","","has coordinates","305812","2026-05-05","09:14:08",""
"7720754","9.96","0.0004","3.02656","0.00012","4.60577","0.00019","90","","90","","90","","138.839","0.01","481","1","481","1","","","","","","","","3","P n m a","-P 2ac 2n","62","Goethite","alpha-FeOOH","","- Fe H O2 -","- Fe H O2 -","- Fe4 H4 O8 -","4","0.5","","Nambu, Yusuke; Kuwabara, Akihide; Kawamata, Masahiro; Mori, Seira; Okazaki, Megumi; Maeda, Kazuhiko","Refining hydrogen positions in α-FeOOH through combined neutron diffraction and computational techniques.","Dalton transactions (Cambridge, England : 2003)","2026","55","14","5780","5787","10.1039/d5dt00217f","powder diffraction","","1.34171","neutron","","","","","","","","","12.2997","","","","","","","","has coordinates","305812","2026-05-05","09:14:08",""
"7720755","9.9379","0.0003","3.01376","0.00011","4.59476","0.00019","90","","90","","90","","137.615","0.009","188.8","0.4","188.8","0.4","","","","","","","","3","P n m a","-P 2ac 2n","62","Goethite","alpha-FeOOH","","- Fe H O2 -","- Fe H O2 -","- Fe4 H4 O8 -","4","0.5","","Nambu, Yusuke; Kuwabara, Akihide; Kawamata, Masahiro; Mori, Seira; Okazaki, Megumi; Maeda, Kazuhiko","Refining hydrogen positions in α-FeOOH through combined neutron diffraction and computational techniques.","Dalton transactions (Cambridge, England : 2003)","2026","55","14","5780","5787","10.1039/d5dt00217f","powder diffraction","","1.34171","neutron","","","","","","","","","10.7296","","","","","","","","has coordinates","305812","2026-05-05","09:14:08",""
"7720756","9.9346","0.0003","3.01225","0.0001","4.59301","0.00016","90","","90","","90","","137.448","0.008","104.1","0.1","104.1","0.1","","","","","","","","3","P n m a","-P 2ac 2n","62","Goethite","alpha-FeOOH","","- Fe H O2 -","- Fe H O2 -","- Fe4 H4 O8 -","4","0.5","","Nambu, Yusuke; Kuwabara, Akihide; Kawamata, Masahiro; Mori, Seira; Okazaki, Megumi; Maeda, Kazuhiko","Refining hydrogen positions in α-FeOOH through combined neutron diffraction and computational techniques.","Dalton transactions (Cambridge, England : 2003)","2026","55","14","5780","5787","10.1039/d5dt00217f","powder diffraction","","1.34171","neutron","","","","","","","","","9.5983","","","","","","","","has coordinates","305812","2026-05-05","09:14:08",""
"7720757","9.9444","0.0003","3.01795","0.00009","4.59856","0.00015","90","","90","","90","","138.011","0.007","277.6","0.8","277.6","0.8","","","","","","","","3","P n m a","-P 2ac 2n","62","Goethite","alpha-FeOOH","","- Fe H O2 -","- Fe H O2 -","- Fe4 H4 O8 -","4","0.5","","Nambu, Yusuke; Kuwabara, Akihide; Kawamata, Masahiro; Mori, Seira; Okazaki, Megumi; Maeda, Kazuhiko","Refining hydrogen positions in α-FeOOH through combined neutron diffraction and computational techniques.","Dalton transactions (Cambridge, England : 2003)","2026","55","14","5780","5787","10.1039/d5dt00217f","powder diffraction","","1.34171","neutron","","","","","","","","","10.1099","","","","","","","","has coordinates","305812","2026-05-05","09:14:08",""
"7720758","9.9359","0.0003","3.01264","0.0001","4.59335","0.00016","90","","90","","90","","137.494","0.008","145.7","0.2","145.7","0.2","","","","","","","","3","P n m a","-P 2ac 2n","62","Goethite","alpha-FeOOH","","- Fe H O2 -","- Fe H O2 -","- Fe4 H4 O8 -","4","0.5","","Nambu, Yusuke; Kuwabara, Akihide; Kawamata, Masahiro; Mori, Seira; Okazaki, Megumi; Maeda, Kazuhiko","Refining hydrogen positions in α-FeOOH through combined neutron diffraction and computational techniques.","Dalton transactions (Cambridge, England : 2003)","2026","55","14","5780","5787","10.1039/d5dt00217f","powder diffraction","","1.34171","neutron","","","","","","","","","8.8063","","","","","","","","has coordinates","305812","2026-05-05","09:14:08",""
"7720759","9.9409","0.0003","3.01569","0.00011","4.59619","0.00018","90","","90","","90","","137.788","0.008","231.1","0.5","231.1","0.5","","","","","","","","3","P n m a","-P 2ac 2n","62","Goethite","alpha-FeOOH","","- Fe H O2 -","- Fe H O2 -","- Fe4 H4 O8 -","4","0.5","","Nambu, Yusuke; Kuwabara, Akihide; Kawamata, Masahiro; Mori, Seira; Okazaki, Megumi; Maeda, Kazuhiko","Refining hydrogen positions in α-FeOOH through combined neutron diffraction and computational techniques.","Dalton transactions (Cambridge, England : 2003)","2026","55","14","5780","5787","10.1039/d5dt00217f","powder diffraction","","1.34171","neutron","","","","","","","","","10.1609","","","","","","","","has coordinates","305812","2026-05-05","09:14:08",""
"7720760","9.9544","0.0003","3.02469","0.0001","4.60406","0.00017","90","","90","","90","","138.624","0.008","430.1","0.9","430.1","0.9","","","","","","","","3","P n m a","-P 2ac 2n","62","Goethite","alpha-FeOOH","","- Fe H O2 -","- Fe H O2 -","- Fe4 H4 O8 -","4","0.5","","Nambu, Yusuke; Kuwabara, Akihide; Kawamata, Masahiro; Mori, Seira; Okazaki, Megumi; Maeda, Kazuhiko","Refining hydrogen positions in α-FeOOH through combined neutron diffraction and computational techniques.","Dalton transactions (Cambridge, England : 2003)","2026","55","14","5780","5787","10.1039/d5dt00217f","powder diffraction","","1.34171","neutron","","","","","","","","","11.4565","","","","","","","","has coordinates","305812","2026-05-05","09:14:08",""
"7720761","9.948","0.0003","3.02046","0.00011","4.60057","0.00018","90","","90","","90","","138.236","0.008","326","1","326","1","","","","","","","","3","P n m a","-P 2ac 2n","62","Goethite","alpha-FeOOH","","- Fe H O2 -","- Fe H O2 -","- Fe4 H4 O8 -","4","0.5","","Nambu, Yusuke; Kuwabara, Akihide; Kawamata, Masahiro; Mori, Seira; Okazaki, Megumi; Maeda, Kazuhiko","Refining hydrogen positions in α-FeOOH through combined neutron diffraction and computational techniques.","Dalton transactions (Cambridge, England : 2003)","2026","55","14","5780","5787","10.1039/d5dt00217f","powder diffraction","","1.34171","neutron","","","","","","","","","12.5764","","","","","","","","has coordinates","305812","2026-05-05","09:14:08",""
"7720762","15.2125","0.0004","15.5239","0.0004","16.9589","0.0005","107.052","0.002","94.261","0.002","117.435","0.003","3293.2","0.2","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C59 H111 Cl Dy O14 P3 -","- C59 H111 Cl Dy O14 P3 -","- C118 H222 Cl2 Dy2 O28 P6 -","2","1","","Yang, Yue; Shao, Xue-Ying; Pan, Jian-Xu; Dong, Xiao-Fang; Wang, Shen; Liang, Yulu; Zhang, Yi-Quan; Wang, Yu-Xia; Cheng, Peng","Programming magnetization dynamics in a Dy-croconic acid system.","Dalton transactions (Cambridge, England : 2003)","2026","55","16","6628","6634","10.1039/d6dt00588h","","x-ray","1.54184","CuKα","","0.0522","0.0458","","","0.1187","0.1227","","","","","","1.029","","","","has coordinates,has disorder","305800","2026-05-05","09:09:46",""
"7720763","33.7159","0.0004","10.7612","0.0001","51.6078","0.0008","90","","106.692","0.002","90","","17935.5","0.4","120","0.1","120","0.1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C84 H144 Cl2 Dy2 O18 P4 -","- C84 H144 Cl2 Dy2 O18 P4 -","- C672 H1152 Cl16 Dy16 O144 P32 -","8","1","","Yang, Yue; Shao, Xue-Ying; Pan, Jian-Xu; Dong, Xiao-Fang; Wang, Shen; Liang, Yulu; Zhang, Yi-Quan; Wang, Yu-Xia; Cheng, Peng","Programming magnetization dynamics in a Dy-croconic acid system.","Dalton transactions (Cambridge, England : 2003)","2026","55","16","6628","6634","10.1039/d6dt00588h","","x-ray","1.54184","CuKα","","0.0551","0.0454","","","0.1097","0.1153","","","","","","1.044","","","","has coordinates,has disorder","305800","2026-05-05","09:09:46",""
"7720764","17.6019","0.0004","17.6019","0.0004","7.6464","0.0003","90","","90","","120","","2051.67","0.1","100","2","100","2","","","","","","","","4","R 3 :H","R 3","146","","","","- C24 H42 Ce N9 -","- C24 H42 Ce N9 -","- C72 H126 Ce3 N27 -","3","0.333333","","Riedmaier, Jonas; Maichle-Mössmer, Cäcilia; Anwander, Reiner","CO<sub>2</sub> uptake potential of cerium(III) triazolates and tetrazolates.","Dalton transactions (Cambridge, England : 2003)","2026","55","16","6302","6311","10.1039/d6dt00453a","","","0.71073","MoKα","","0.0168","0.0168","","","0.0422","0.0422","","","","","","1.1","","","","has coordinates","305802","2026-05-05","09:11:53",""
"7720765","11.828","0.0006","19.2224","0.001","22.7962","0.0012","90","","98.382","0.001","90","","5127.6","0.5","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H57 Ce N10 O3 -","- C56 H57 Ce N10 O3 -","- C224 H228 Ce4 N40 O12 -","4","1","","Riedmaier, Jonas; Maichle-Mössmer, Cäcilia; Anwander, Reiner","CO<sub>2</sub> uptake potential of cerium(III) triazolates and tetrazolates.","Dalton transactions (Cambridge, England : 2003)","2026","55","16","6302","6311","10.1039/d6dt00453a","","","0.71073","MoKα","","0.0396","0.0275","","","0.0604","0.0669","","","","","","1.043","","","","has coordinates,has disorder","305802","2026-05-05","09:11:53",""
"7720766","12.0514","0.0002","17.0159","0.0003","14.9451","0.0003","90","","101.643","0.001","90","","3001.66","0.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H47 Ce N12 O -","- C25 H47 Ce N12 O -","- C100 H188 Ce4 N48 O4 -","4","1","","Riedmaier, Jonas; Maichle-Mössmer, Cäcilia; Anwander, Reiner","CO<sub>2</sub> uptake potential of cerium(III) triazolates and tetrazolates.","Dalton transactions (Cambridge, England : 2003)","2026","55","16","6302","6311","10.1039/d6dt00453a","","","0.71073","MoKα","","0.0169","0.0159","","","0.039","0.0396","","","","","","1.042","","","","has coordinates","305802","2026-05-05","09:11:53",""
"7720767","8.3105","0.0005","20.9901","0.0012","19.3244","0.0011","90","","102.209","0.001","90","","3294.7","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H41 Ce N12 O -","- C31 H41 Ce N12 O -","- C124 H164 Ce4 N48 O4 -","4","1","","Riedmaier, Jonas; Maichle-Mössmer, Cäcilia; Anwander, Reiner","CO<sub>2</sub> uptake potential of cerium(III) triazolates and tetrazolates.","Dalton transactions (Cambridge, England : 2003)","2026","55","16","6302","6311","10.1039/d6dt00453a","","","0.71073","MoKα","","0.0633","0.0382","","","0.0791","0.0906","","","","","","1.038","","","","has coordinates,has disorder","305802","2026-05-05","09:11:53",""
"7720768","23.6496","0.0012","13.5831","0.0007","15.2537","0.0008","90","","90","","90","","4900","0.4","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C34 H44 Ce N15 O -","- C34 H44 Ce N15 O -","- C136 H176 Ce4 N60 O4 -","4","1","","Riedmaier, Jonas; Maichle-Mössmer, Cäcilia; Anwander, Reiner","CO<sub>2</sub> uptake potential of cerium(III) triazolates and tetrazolates.","Dalton transactions (Cambridge, England : 2003)","2026","55","16","6302","6311","10.1039/d6dt00453a","","","0.71073","MoKα","","0.0354","0.0264","","","0.0574","0.0613","","","","","","1.026","","","","has coordinates,has disorder","305802","2026-05-05","09:11:53",""
"7720769","13.922","0.003","24.751","0.005","19.487","0.004","90","","96.915","0.006","90","","6666","2","150","2","149.97","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 Cl Cu7 Ge N21 O45 W12 -","- C14 H14 Cl Cu7 Ge N21 O45 W12 -","- C56 H56 Cl4 Cu28 Ge4 N84 O180 W48 -","4","1","","Wang, Quanzhong; Chen, Yahong; Tian, Fengshou; Dou, Ruixia","A polyoxometalate-embedded Cu-triazole cycle: catalytic oxidation of alcohols.","Dalton transactions (Cambridge, England : 2003)","2026","55","17","6835","6843","10.1039/d6dt00581k","","","0.71073","MoKα","","0.0459","0.0338","","","0.076","0.0815","","","","","","1.035","","","","has coordinates","306381","2026-06-05","18:55:43",""
"7720770","8.9239","0.0004","9.553","0.0005","28.1668","0.0013","86.151","0.002","83.807","0.002","63.172","0.002","2129.8","0.18","193","","193","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H70 N4 O10 U -","- C36 H70 N4 O10 U -","- C72 H140 N8 O20 U2 -","2","1","","Liang, Yuyu; Liu, Bijun; Li, Xiang; Zhao, Shufeng; Zhou, Qingye; Yuan, Chenchen; Huang, Zeng; Tu, Jun; Li, Xingliang","Azone as a green extractant for selective uranium recovery over thorium: extraction behavior, coordination mechanism, and comparison with TBP.","Dalton transactions (Cambridge, England : 2003)","2026","55","17","6719","6729","10.1039/d6dt00087h","","x-ray","1.54178","CuKα","","0.0232","0.0224","","","0.0523","0.0526","","","","","","1.144","","","","has coordinates","306387","2026-06-05","18:56:40",""
"7720771","34.258","0.005","4.0114","0.0006","16.939","0.003","90","","109.615","0.007","90","","2192.7","0.6","296","2","296","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- In2.5 Pb1.5 Sb4.5 Se12 -","- In2.5 Pb1.5 Sb4.5 Se12 -","- In10 Pb6 Sb18 Se48 -","4","0.5","","Chen, Guan-Ruei; Xiao, Wan-Zhen; Huang, Yen-Han; Yang, Chia-Wei; Lee, Chi-Shen","Synthesis, crystal chemistry, and semiconducting properties of A<sub>3</sub>B<sub>14</sub>Se<sub>24</sub> (A = Sn/Pb; B = In/Sb/Bi) with step-layered NaCl(111)-type slabs interleaved with NaCl(100)-type ribbons.","Dalton transactions (Cambridge, England : 2003)","2026","55","17","6825","6834","10.1039/d5dt02970h","","","0.71073","MoKα","","0.058","0.042","","","0.0794","0.086","","","","","","1.033","","","","has coordinates","306384","2026-06-05","18:56:04",""
"7720772","34.163","0.005","4.0311","0.0006","16.854","0.003","90","","110.014","0.007","90","","2180.9","0.6","296","2","296","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- Bi1.58 In3.85 Pb1.27 Sb6.57 Se24 Sn3.73 -","- Bi1.578 In3.846 Pb1.27 Sb6.576 Se24 Sn3.73 -","- Bi3.156 In7.692 Pb2.54 Sb13.152 Se48 Sn7.46 -","2","0.25","","Chen, Guan-Ruei; Xiao, Wan-Zhen; Huang, Yen-Han; Yang, Chia-Wei; Lee, Chi-Shen","Synthesis, crystal chemistry, and semiconducting properties of A<sub>3</sub>B<sub>14</sub>Se<sub>24</sub> (A = Sn/Pb; B = In/Sb/Bi) with step-layered NaCl(111)-type slabs interleaved with NaCl(100)-type ribbons.","Dalton transactions (Cambridge, England : 2003)","2026","55","17","6825","6834","10.1039/d5dt02970h","","","0.71073","MoKα","","0.0484","0.0418","","","0.1034","0.112","","","","","","1.082","","","","has coordinates","306384","2026-06-05","18:56:04",""
"7720773","34.074","0.004","4.0093","0.0005","16.835","0.002","90","","109.795","0.006","90","","2164","0.5","296","2","296","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- In3 Pb1.5 Sb4 Se12 -","- In3 Pb1.5 Sb4 Se12 -","- In12 Pb6 Sb16 Se48 -","4","0.5","","Chen, Guan-Ruei; Xiao, Wan-Zhen; Huang, Yen-Han; Yang, Chia-Wei; Lee, Chi-Shen","Synthesis, crystal chemistry, and semiconducting properties of A<sub>3</sub>B<sub>14</sub>Se<sub>24</sub> (A = Sn/Pb; B = In/Sb/Bi) with step-layered NaCl(111)-type slabs interleaved with NaCl(100)-type ribbons.","Dalton transactions (Cambridge, England : 2003)","2026","55","17","6825","6834","10.1039/d5dt02970h","","","0.71073","MoKα","","0.085","0.0499","","","0.0951","0.1106","","","","","","1.035","","","","has coordinates","306384","2026-06-05","18:56:04",""
"7720774","34.018","0.013","3.9745","0.0012","16.823","0.006","90","","109.877","0.01","90","","2139","1.3","296","2","296","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- In0.56 Sb1.19 Se3 Sn0.38 -","- In0.5625 Sb1.1875 Se3 Sn0.375 -","- In9 Sb19 Se48 Sn6 -","16","2","","Chen, Guan-Ruei; Xiao, Wan-Zhen; Huang, Yen-Han; Yang, Chia-Wei; Lee, Chi-Shen","Synthesis, crystal chemistry, and semiconducting properties of A<sub>3</sub>B<sub>14</sub>Se<sub>24</sub> (A = Sn/Pb; B = In/Sb/Bi) with step-layered NaCl(111)-type slabs interleaved with NaCl(100)-type ribbons.","Dalton transactions (Cambridge, England : 2003)","2026","55","17","6825","6834","10.1039/d5dt02970h","","","0.71073","MoKα","","0.0938","0.0573","","","0.1265","0.1464","","","","","","1.016","","","","has coordinates","306384","2026-06-05","18:56:04",""
"7720775","22.1793","0.0002","11.1061","0.0001","8.0043","0.0001","90","","90","","90","","1971.66","0.04","100","0.1","100","0.1","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C34 H40 F7 La N8 O6 S2 -","- C34 H40 F7 La N8 O6 S2 -","- C68 H80 F14 La2 N16 O12 S4 -","2","0.5","","Behe, Martin; Gruber, Stefan; Li, Cen; Schreckenbach, Georg; Mu, Linjing; Schottelius, Margret; Faizova, Radmila","La-[<sup>18/19</sup>F]fluoride complexes: a novel addition to the radiofluorination family.","Dalton transactions (Cambridge, England : 2003)","2026","55","15","5944","5951","10.1039/d5dt02645h","","x-ray","1.54184","CuKα","","0.0407","0.0402","","","0.1002","0.1005","","","","","","1.081","","","","has coordinates","305823","2026-05-05","09:18:09",""
"7720776","16.7514","0.0003","10.197","0.0002","23.446","0.0005","90","","96.158","0.002","90","","3981.8","0.14","100","0.1","100","0.1","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C60 H102 Cl F6 La2 N9 O31 S2 -","- C60 H102 Cl F6 La2 N9 O31 S2 -","- C120 H204 Cl2 F12 La4 N18 O62 S4 -","2","1","","Behe, Martin; Gruber, Stefan; Li, Cen; Schreckenbach, Georg; Mu, Linjing; Schottelius, Margret; Faizova, Radmila","La-[<sup>18/19</sup>F]fluoride complexes: a novel addition to the radiofluorination family.","Dalton transactions (Cambridge, England : 2003)","2026","55","15","5944","5951","10.1039/d5dt02645h","","x-ray","1.54184","CuKα","","0.0494","0.047","","","0.1198","0.1222","","","","","","1.069","","","","has coordinates","305823","2026-05-05","09:18:09",""
"7720777","15.4947","0.0001","15.4947","0.0001","10.6535","0.0001","90","","90","","120","","2215.08","0.03","100","0.1","100","0.1","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C26 H34 F La N4 O8 -","- C26 H34 F La N4 O8 -","- C78 H102 F3 La3 N12 O24 -","3","0.5","","Behe, Martin; Gruber, Stefan; Li, Cen; Schreckenbach, Georg; Mu, Linjing; Schottelius, Margret; Faizova, Radmila","La-[<sup>18/19</sup>F]fluoride complexes: a novel addition to the radiofluorination family.","Dalton transactions (Cambridge, England : 2003)","2026","55","15","5944","5951","10.1039/d5dt02645h","","x-ray","1.54184","CuKα","","0.0251","0.0249","","","0.0644","0.0645","","","","","","1.083","","","","has coordinates","305823","2026-05-05","09:18:09",""
"7720778","22.9095","0.0008","12.4317","0.0006","12.1295","0.0006","90","","90","","90","","3454.5","0.3","150","2","150","2","","","","","","","","8","P b c n","-P 2n 2ab","60","","","","- C24 H34 B2 Br2 F8 N8 O2 Zn -","- C24 H34 B2 Br2 F8 N8 O2 Zn -","- C96 H136 B8 Br8 F32 N32 O8 Zn4 -","4","0.5","","Savić, Milica; Pevec, Andrej; Novaković, Irena; Matić, Ivana Z; Stanojković, Tatjana; Zlatar, Matija; Gruden, Maja; Čobeljić, Božidar","Comparative biological activity of manganese(II) and zinc(II) hydrazone complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","16","6603","6614","10.1039/d6dt00532b","","","0.71073","MoKα","","0.058","0.0407","","","0.0844","0.0916","","","","","","1.049","","","","has coordinates","306400","2026-06-05","19:04:43",""
"7720779","14.75","0.001","18.5661","0.0013","24.1716","0.0018","89.065","0.003","83.323","0.003","70.045","0.003","6177.8","0.8","298","","298","","","","","","","","","6","P -1","-P 1","2","","","","- C128 H108 N19 O29 P3 Zn4 -","- C114 H72 N15 O18 P3 Zn4 -","- C228 H144 N30 O36 P6 Zn8 -","2","1","","Özcan, Elif","A Zn(II)-based metal-organic framework constructed from cyclotriphosphazene hexacarboxylate and π-conjugated bisterpyridine ligands for dual applications in dye photodegradation and VOC sensing.","Dalton transactions (Cambridge, England : 2003)","2026","55","19","7662","7673","10.1039/d6dt00537c","","x-ray","0.71073","MoKα","","0.1407","0.0645","","","0.1684","0.2048","","","","","","0.982","","","","has coordinates,has disorder","306395","2026-06-05","18:58:51",""
"7720780","53.629","0.009","22.341","0.003","29.82","0.005","90","","90","","90","","35728","10","100","","100","","","","","","","","","7","F d d 2","F 2 -2d","43","Zr-P2N2","","","- C160 H202 Cl2 N14 O28 P6 Zr6 -","- C120 H114 Cl2.0001 N6 O20 P6 Zr6 -","- C960 H912 Cl16.0008 N48 O160 P48 Zr48 -","8","0.5","","Shin, Jiehye; Wade, Casey R.","In or out? Adaptive metal binding by a diphosphine-based Zr metal-organic cage.","Dalton transactions (Cambridge, England : 2003)","2026","55","16","6407","6414","10.1039/d6dt00536e","","x-ray","0.71073","MoKα","K-L~3~","0.0686","0.0531","","","0.1354","0.1471","","","","","","1.036","","","","has coordinates","306398","2026-06-05","19:04:16",""
"7720781","48.134","0.003","23.0579","0.0018","17.7804","0.0014","90","","90","","90","","19734","3","240","","240","","","","","","","","","8","P n m a","-P 2ac 2n","62","Zr-P2N2-PtCl2","","","- C130 H130 Cl8 N8 O22 P6 Pt3 Zr6 -","- C130 H130 Cl8 N8 O22 P6 Pt3 Zr6 -","- C520 H520 Cl32 N32 O88 P24 Pt12 Zr24 -","4","0.5","","Shin, Jiehye; Wade, Casey R.","In or out? Adaptive metal binding by a diphosphine-based Zr metal-organic cage.","Dalton transactions (Cambridge, England : 2003)","2026","55","16","6407","6414","10.1039/d6dt00536e","","x-ray","0.71073","MoKα","K-L~3~","0.1334","0.1032","","","0.217","0.2408","","","","","","1.103","","","","has coordinates","306398","2026-06-05","19:04:16",""
"7720782","21.0912","0.0014","40.752","0.003","26.4875","0.0019","90","","90","","90","","22766","3","100","","100","","","","","","","","","10","P b c m","-P 2c 2b","57","Zr-P2N2-Ag","","","- C190 H326 Ag6 Cl3 F30 N6 O55 P11 S35 Zr6 -","- C128 H140 Ag6 Cl3 F30 N6 O24 P11 S4 Zr6 -","- C512 H560 Ag24 Cl12 F120 N24 O96 P44 S16 Zr24 -","4","0.5","","Shin, Jiehye; Wade, Casey R.","In or out? Adaptive metal binding by a diphosphine-based Zr metal-organic cage.","Dalton transactions (Cambridge, England : 2003)","2026","55","16","6407","6414","10.1039/d6dt00536e","","x-ray","0.71073","MoKα","K-L~3~","0.2128","0.1705","","","0.51","0.5723","","","","","","2.667","","","","has coordinates,has disorder","306398","2026-06-05","19:04:16",""
"7720783","21.0912","0.0014","40.752","0.003","26.4875","0.0019","90","","90","","90","","22766","3","100","","100","","","","","","","","","10","P b c m","-P 2c 2b","57","Zr-P2N2-Ag_masked_counteranions","","","- C188 H317 Ag6 Cl2 F36 N6 O54 P12 S34 Zr6 -","- C124 H125 Ag6 Cl2 N6 O22 P6 S2 Zr6 -","- C496 H500 Ag24 Cl8 N24 O88 P24 S8 Zr24 -","4","0.5","","Shin, Jiehye; Wade, Casey R.","In or out? Adaptive metal binding by a diphosphine-based Zr metal-organic cage.","Dalton transactions (Cambridge, England : 2003)","2026","55","16","6407","6414","10.1039/d6dt00536e","","x-ray","0.71073","MoKα","K-L~3~","0.1942","0.1501","","","0.4673","0.519","","","","","","2.238","","","","has coordinates","306398","2026-06-05","19:04:16",""
"7720784","47.908","0.004","22.924","0.002","17.5652","0.0018","90","","90","","90","","19291","3","100","","100","","","","","","","","","8","P n m a","-P 2ac 2n","62","Zr-P2N2-PdCl2","","","- C170 H218 Cl8 N16 O30 P6 Pd3 Zr6 -","- C130 H130 Cl8 N8 O22 P6 Pd3 Zr6 -","- C520 H520 Cl32 N32 O88 P24 Pd12 Zr24 -","4","0.5","","Shin, Jiehye; Wade, Casey R.","In or out? Adaptive metal binding by a diphosphine-based Zr metal-organic cage.","Dalton transactions (Cambridge, England : 2003)","2026","55","16","6407","6414","10.1039/d6dt00536e","","x-ray","0.71073","MoKα","K-L~3~","0.1412","0.1026","","","0.2324","0.2679","","","","","","1.11","","","","has coordinates","306398","2026-06-05","19:04:16",""
"7720785","14.271","0.003","15.99","0.003","33.52","0.006","90","","90","","90","","7649","3","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C96 H94 B2 N4 -","- C96 H94 B2 N4 -","- C384 H376 B8 N16 -","4","1","","Suwa, Keisuke; Ito, Shunichiro; Tanaka, Kazuo","Phosphorescence properties of boron β-diketiminate complexes modulated by spiro structures.","Dalton transactions (Cambridge, England : 2003)","2026","55","15","6035","6043","10.1039/d6dt00417b","","","0.71075","MoKα","","0.0618","0.0544","","","0.141","0.1476","","","","","","1.027","","","","has coordinates","305832","2026-05-05","09:19:17",""
"7720786","12.034","0.004","9.965","0.003","29.552","0.008","90","","94.32","0.005","90","","3533.8","1.9","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H28 B Br2 Cl3 N2 -","- C39 H27 B Br2 N2 -","- C156 H108 B4 Br8 N8 -","4","1","","Suwa, Keisuke; Ito, Shunichiro; Tanaka, Kazuo","Phosphorescence properties of boron β-diketiminate complexes modulated by spiro structures.","Dalton transactions (Cambridge, England : 2003)","2026","55","15","6035","6043","10.1039/d6dt00417b","","","0.71075","MoKα","","0.0584","0.0418","","","0.0994","0.1077","","","","","","0.995","","","","has coordinates","305832","2026-05-05","09:19:17",""
"7720787","9.777","0.003","13.268","0.004","22.685","0.007","90","","90","","90","","2942.7","1.6","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C39 H29 B N2 -","- C39 H29 B N2 -","- C156 H116 B4 N8 -","4","1","","Suwa, Keisuke; Ito, Shunichiro; Tanaka, Kazuo","Phosphorescence properties of boron β-diketiminate complexes modulated by spiro structures.","Dalton transactions (Cambridge, England : 2003)","2026","55","15","6035","6043","10.1039/d6dt00417b","","","0.71075","MoKα","","0.0403","0.035","","","0.078","0.0814","","","","","","1.005","","","","has coordinates","305832","2026-05-05","09:19:17",""
"7720788","11.865","0.006","12.187","0.006","13.01","0.006","99.73","0.005","99.602","0.004","108.243","0.005","1711.8","1.4","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C43 H39 B N2 O2 -","- C43 H39 B N2 O2 -","- C86 H78 B2 N4 O4 -","2","1","","Suwa, Keisuke; Ito, Shunichiro; Tanaka, Kazuo","Phosphorescence properties of boron β-diketiminate complexes modulated by spiro structures.","Dalton transactions (Cambridge, England : 2003)","2026","55","15","6035","6043","10.1039/d6dt00417b","","","0.71075","MoKα","","0.1478","0.0675","","","0.1293","0.1592","","","","","","0.916","","","","has coordinates","305832","2026-05-05","09:19:17",""
"7720789","8.4123","0.0017","20.137","0.004","18.88","0.004","90","","102.955","0.003","90","","3116.8","1.1","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H37 B N2 O2 -","- C39 H37 B N2 O2 -","- C156 H148 B4 N8 O8 -","4","1","","Suwa, Keisuke; Ito, Shunichiro; Tanaka, Kazuo","Phosphorescence properties of boron β-diketiminate complexes modulated by spiro structures.","Dalton transactions (Cambridge, England : 2003)","2026","55","15","6035","6043","10.1039/d6dt00417b","","","0.71075","MoKα","","0.0517","0.0413","","","0.1033","0.1101","","","","","","1.068","","","","has coordinates","305832","2026-05-05","09:19:17",""
"7720790","9.7469","0.0004","9.7469","0.0004","16.8886","0.0013","90","","90","","120","","1389.5","0.13","100","","100","","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C18 H42 F12 Mn N8 P2 -","- C18 H42 F12 Mn N8 P2 -","- C36 H84 F24 Mn2 N16 P4 -","2","0.166667","","Campanella, Anthony J.; Gin, Amanda; Sung, Siyoung; Jackson, Cassidy E.; Martinez, Roxanna; Üngör, Ökten; Dasari, Srikanth; Ozarowski, Andrew; Bhowmick, Indrani; Zadrozny, Joseph M.","Amplified electron-spin thermal sensitivity in Mn(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5139","5150","10.1039/d5dt02920a","","","0.71073","MoKα","","0.0269","0.0237","","","0.0641","0.0663","","","","","","1.056","","","","has coordinates","305231","2026-03-31","23:00:07",""
"7720791","9.7907","0.0008","16.4512","0.0013","19.0904","0.0017","87.804","0.003","89.891","0.003","89.806","0.002","3072.6","0.4","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C24 H34 F12 Mn N4 O4 P2 -","- C24 H34 F12 Mn N4 O4 P2 -","- C96 H136 F48 Mn4 N16 O16 P8 -","4","2","","Campanella, Anthony J.; Gin, Amanda; Sung, Siyoung; Jackson, Cassidy E.; Martinez, Roxanna; Üngör, Ökten; Dasari, Srikanth; Ozarowski, Andrew; Bhowmick, Indrani; Zadrozny, Joseph M.","Amplified electron-spin thermal sensitivity in Mn(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5139","5150","10.1039/d5dt02920a","","x-ray","0.71073","MoKα","K-L~3~","0.0437","0.0362","","","0.0811","0.0857","","","","","","1.028","","","","has coordinates,has disorder","305231","2026-03-31","23:00:07",""
"7720792","9.5381","0.0002","9.5381","0.0002","17.2367","0.0006","90","","90","","120","","1358.03","0.06","99.99","","99.99","","","","","","","","","6","P 3 1 c","P 3 -2c","159","","","","- C18 H30 F12 Mn N8 P2 -","- C18 H30 F12 Mn N8 P2 -","- C36 H60 F24 Mn2 N16 P4 -","2","0.333333","","Campanella, Anthony J.; Gin, Amanda; Sung, Siyoung; Jackson, Cassidy E.; Martinez, Roxanna; Üngör, Ökten; Dasari, Srikanth; Ozarowski, Andrew; Bhowmick, Indrani; Zadrozny, Joseph M.","Amplified electron-spin thermal sensitivity in Mn(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5139","5150","10.1039/d5dt02920a","","","0.71073","MoKα","","0.0277","0.026","","","0.0677","0.0687","","","","","","1.113","","","","has coordinates","305231","2026-03-31","23:00:07",""
"7720793","8.7835","0.0004","11.0882","0.0004","12.0442","0.0005","81.59","0.001","86.468","0.002","72.963","0.001","1109.27","0.08","273","2","273.15","","","","","","","","","6","P -1","-P 1","2","","","","- C52 H38 Cd Cl2 N2 O6 -","- C52 H38 Cd Cl2 N2 O6 -","- C52 H38 Cd Cl2 N2 O6 -","1","0.5","","Hossain, Ersad; Sk, Ramjan; Sil, Sayantan; Pramanik, Samit; Ray, Partha Pratim; Ortega-Castro, Joaquin; Frontera, Antonio; Mir, Mohammad Hedayetullah; Mukhopadhyay, Subrata","Elucidating structure-property relationships in Cd(II) coordination polymers for enhanced charge transport properties and Schottky device fabrication.","Dalton transactions (Cambridge, England : 2003)","2026","55","17","6965","6975","10.1039/d6dt00393a","","","0.71073","MoKα","","0.0714","0.0506","","","0.125","0.1363","","","","","","1.031","","","","has coordinates","306378","2026-06-05","18:55:16",""
"7720794","9.168","0.002","28.283","0.006","8.685","0.002","90","","81.61","0.03","90","","2227.9","0.9","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C51 H38 Br2 Cd N2 O6 -","- C51 H38 Br2 Cd N2 O6 -","- C102 H76 Br4 Cd2 N4 O12 -","2","1","","Hossain, Ersad; Sk, Ramjan; Sil, Sayantan; Pramanik, Samit; Ray, Partha Pratim; Ortega-Castro, Joaquin; Frontera, Antonio; Mir, Mohammad Hedayetullah; Mukhopadhyay, Subrata","Elucidating structure-property relationships in Cd(II) coordination polymers for enhanced charge transport properties and Schottky device fabrication.","Dalton transactions (Cambridge, England : 2003)","2026","55","17","6965","6975","10.1039/d6dt00393a","","","0.71073","MoKα","","0.0457","0.0354","","","0.0966","0.1035","","","","","","1.017","","","","has coordinates","306378","2026-06-05","18:55:16",""
"7720795","10.7868","0.0006","14.0771","0.0006","15.4091","0.0008","112.378","0.002","96.104","0.002","97.621","0.002","2112.88","0.19","120","2","120","2","","","","","","","","6","P -1","-P 1","2","cis-α-(Egan)IrCl . 0.5 CH2Cl2","cis-α-κ5-(1,2-ethanedi-(2-(3,5-di-tert-butyl-2-oxyphenyl)imino)-benzoate)(chloro)iridium hemidichloromethane solvate","","- C44.5 H53 Cl2 Ir N2 O6 -","- C44.5 H53 Cl2 Ir N2 O6 -","- C89 H106 Cl4 Ir2 N4 O12 -","2","1","","Grandstaff, Kristin D.; Carbonel, Halen; Brown, Seth N.","Iridium complexes of a chelating bis(iminoxolene): augmentation of metal-metal π bonding by metal-ligand π bonding.","Dalton transactions (Cambridge, England : 2003)","2026","55","5","2088","2099","10.1039/d5dt02509e","","","0.71073","MoKα","","0.0658","0.0412","","","0.0704","0.0768","","","","","","1.028","","","","has coordinates,has disorder","305264","2026-04-04","19:22:09",""
"7720796","9.4851","0.0003","15.5602","0.0006","17.2975","0.0006","110.929","0.0012","93.6788","0.0012","95.5073","0.0014","2360.16","0.15","120","2","120","2","","","","","","","","6","P -1","-P 1","2","(Egan)IrCH3 . 2 CH2Cl2","(1,2-ethanediylbis-(2-(3,5-di-tert-butyl-2-oxy)phenylimino)benzoate)- methyliridium bis-dichloromethane solvate","","- C47 H59 Cl4 Ir N2 O6 -","- C47 H59 Cl4 Ir N2 O6 -","- C94 H118 Cl8 Ir2 N4 O12 -","2","1","","Grandstaff, Kristin D.; Carbonel, Halen; Brown, Seth N.","Iridium complexes of a chelating bis(iminoxolene): augmentation of metal-metal π bonding by metal-ligand π bonding.","Dalton transactions (Cambridge, England : 2003)","2026","55","5","2088","2099","10.1039/d5dt02509e","","x-ray","0.71073","MoKα","","0.0478","0.0356","","","0.0684","0.0722","","","","","","1.026","","","","has coordinates,has disorder","305264","2026-04-04","19:22:09",""
"7720797","10.0999","0.0003","14.1374","0.0004","16.4491","0.0005","99.418","0.002","94.139","0.002","100.769","0.002","2263.41","0.12","120","2","120","2","","","","","","","","6","P -1","-P 1","2","cis-β-(Egan)IrCl","cis-β-κ5-(1,2-ethanedi-(2-(3,5-di-tert-butyl-2-oxyphenyl)imino)- benzoate)(chloro)iridium acetone solvate","","- C47 H58 Cl Ir N2 O7 -","- C47 H58 Cl Ir N2 O7 -","- C94 H116 Cl2 Ir2 N4 O14 -","2","1","","Grandstaff, Kristin D.; Carbonel, Halen; Brown, Seth N.","Iridium complexes of a chelating bis(iminoxolene): augmentation of metal-metal π bonding by metal-ligand π bonding.","Dalton transactions (Cambridge, England : 2003)","2026","55","5","2088","2099","10.1039/d5dt02509e","","","1.54178","CuKα","","0.0427","0.029","","","0.054","0.0573","","","","","","1.008","","","","has coordinates","305264","2026-04-04","19:22:09",""
"7720798","13.957","0.001","13.957","0.001","21.62","0.002","90","","90","","90","","4211.5","0.6","120","2","120","2","","","","","","","","5","P -4 21 c","P -4 2n","114","(A,C)-(Egan)2Ir2 . C6H6","(A,C)-Bis(1,2-ethanedi-(2-(3,5-di-tert-butyl-2-oxyphenylimino)-benzoate)diiridium benzene solvate","","- C94 H110 Ir2 N4 O12 -","- C94 H110 Ir2 N4 O12 -","- C188 H220 Ir4 N8 O24 -","2","0.25","","Grandstaff, Kristin D.; Carbonel, Halen; Brown, Seth N.","Iridium complexes of a chelating bis(iminoxolene): augmentation of metal-metal π bonding by metal-ligand π bonding.","Dalton transactions (Cambridge, England : 2003)","2026","55","5","2088","2099","10.1039/d5dt02509e","","x-ray","1.54178","CuKα","","0.0239","0.0189","","","0.0462","0.0489","","","","","","1.084","","","","has coordinates,has disorder","305264","2026-04-04","19:22:09",""
"7720799","22.638","0.0019","19.1554","0.0016","27.048","0.002","90","","90","","90","","11729.1","1.6","120","2","120","2","","","","","","","","6","P b c n","-P 2n 2ab","60","[Cp2Co][(Egan)Ir] . 2.5 THF","Cobaltocenium (1,2-ethanediylbis-(2-(3,5-di-tert-butyl-2-oxy)phenyl- imino)benzoate)iridate semiquin-tetrahydrofuran solvate","","- C64 H82 Co Ir N2 O8.5 -","- C64 H82 Co Ir N2 O8.5 -","- C512 H656 Co8 Ir8 N16 O68 -","8","1","","Grandstaff, Kristin D.; Carbonel, Halen; Brown, Seth N.","Iridium complexes of a chelating bis(iminoxolene): augmentation of metal-metal π bonding by metal-ligand π bonding.","Dalton transactions (Cambridge, England : 2003)","2026","55","5","2088","2099","10.1039/d5dt02509e","","x-ray","1.54178","CuKα","","0.0299","0.0248","","","0.0617","0.0645","","","","","","1.042","","","","has coordinates","305264","2026-04-04","19:22:09",""
"7720800","10.3997","0.0003","10.6405","0.0003","25.14","0.0007","90","","100.306","0.001","90","","2737.06","0.13","100","","100","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C17 H13 B2 Cl6 F N8 O6 Ru -","- C17 H13 B2 Cl6 F N8 O6 Ru -","- C68 H52 B8 Cl24 F4 N32 O24 Ru4 -","4","1","","Voloshin, Yan Z.; Chuprin, Alexander S.; Mosov, Danila O.; Vologzhanina, Anna V.; Dorovatovskii, Pavel V.; Budnikova, Yulia H.; Khrizanforova, Vera V.; Dedov, Alexey G.; Kottsov, Sergey Yu; Teplonogova, Maria A.; Ivanov, Vladimir K.","Novel ruthenium(II) hexachloromacrobicyclic complexes and their first polyaromatic-terminated diaminoclathrochelate derivative: preparation, structure, redox and adsorption characteristics, and electrocatalytic activity in the hydrogen evolution reaction.","Dalton transactions (Cambridge, England : 2003)","2026","55","4","1765","1780","10.1039/d5dt02479j","","","0.71073","MoKα","","0.0402","0.0307","","","0.0672","0.0715","","","","","","1.007","","","","has coordinates","305266","2026-04-04","19:22:24",""
"7720801","8.17","0.0016","19.69","0.004","22.19","0.004","113.28","0.03","99.85","0.03","94.3","0.03","3190.3","1.4","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C69 H67 B2 Cl4 N8 O6 Ru -","- C69 H67 B2 Cl4 N8 O6 Ru -","- C138 H134 B4 Cl8 N16 O12 Ru2 -","2","1","","Voloshin, Yan Z.; Chuprin, Alexander S.; Mosov, Danila O.; Vologzhanina, Anna V.; Dorovatovskii, Pavel V.; Budnikova, Yulia H.; Khrizanforova, Vera V.; Dedov, Alexey G.; Kottsov, Sergey Yu; Teplonogova, Maria A.; Ivanov, Vladimir K.","Novel ruthenium(II) hexachloromacrobicyclic complexes and their first polyaromatic-terminated diaminoclathrochelate derivative: preparation, structure, redox and adsorption characteristics, and electrocatalytic activity in the hydrogen evolution reaction.","Dalton transactions (Cambridge, England : 2003)","2026","55","4","1765","1780","10.1039/d5dt02479j","","","0.7517","synchrotron","","0.0888","0.0655","","","0.1544","0.1678","","","","","","0.999","","","","has coordinates","305266","2026-04-04","19:22:24",""
"7720802","24.138","0.0014","8.3359","0.0005","15.9911","0.0009","90","","100.174","0.002","90","","3167","0.3","120","","120","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C26 H26 B2 Cl6 N6 O6 Ru -","- C26 H26 B2 Cl6 N6 O6 Ru -","- C104 H104 B8 Cl24 N24 O24 Ru4 -","4","0.5","","Voloshin, Yan Z.; Chuprin, Alexander S.; Mosov, Danila O.; Vologzhanina, Anna V.; Dorovatovskii, Pavel V.; Budnikova, Yulia H.; Khrizanforova, Vera V.; Dedov, Alexey G.; Kottsov, Sergey Yu; Teplonogova, Maria A.; Ivanov, Vladimir K.","Novel ruthenium(II) hexachloromacrobicyclic complexes and their first polyaromatic-terminated diaminoclathrochelate derivative: preparation, structure, redox and adsorption characteristics, and electrocatalytic activity in the hydrogen evolution reaction.","Dalton transactions (Cambridge, England : 2003)","2026","55","4","1765","1780","10.1039/d5dt02479j","","","0.71073","MoKα","","0.0611","0.0405","","","0.1151","0.1237","","","","","","1.022","","","","has coordinates","305266","2026-04-04","19:22:24",""
"7720803","21.7876","0.0002","8.2892","0.0001","27.1254","0.0002","90","","99.786","0.001","90","","4827.61","0.08","100","0.1","100","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","MH3-017-ErNO3","","- C20 H21 Er N8 O9 -","- C20 H21 Er N8 O9 -","- C160 H168 Er8 N64 O72 -","8","1","","González, Jonay; Fagundes, Vinicius K.; Hay, Moya A.; Dallerba, Elena; Massi, Massimiliano; Hall, Christopher R.; Giansiracusa, Marcus J.; Boskovic, Colette","Correlating luminescence and single-molecule magnetism for two series of heteroleptic lanthanoid complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","4","1792","1805","10.1039/d5dt02364e","","x-ray","1.54184","CuKα","","0.0366","0.0322","","","0.0855","0.0871","","","","","","1.122","","","","has coordinates","305267","2026-04-04","19:24:20",""
"7720804","8.6061","0.0001","16.2116","0.0001","14.6364","0.0001","90","","104.471","0.001","90","","1977.27","0.03","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","MH3-017-DyCl","","- C18 H18 Cl3 Dy N4 -","- C18 H18 Cl3 Dy N4 -","- C72 H72 Cl12 Dy4 N16 -","4","1","","González, Jonay; Fagundes, Vinicius K.; Hay, Moya A.; Dallerba, Elena; Massi, Massimiliano; Hall, Christopher R.; Giansiracusa, Marcus J.; Boskovic, Colette","Correlating luminescence and single-molecule magnetism for two series of heteroleptic lanthanoid complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","4","1792","1805","10.1039/d5dt02364e","","x-ray","1.54184","CuKα","","0.0351","0.0329","","","0.0903","0.0921","","","","","","1.158","","","","has coordinates","305267","2026-04-04","19:24:20",""
"7720805","21.7909","0.0003","8.2713","0.0001","27.1978","0.0003","90","","99.698","0.001","90","","4832.05","0.1","129.99","0.1","129.99","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","VF-YbNO3tpa-1-2","","- C20 H21 N8 O9 Yb -","- C20 H21 N8 O9 Yb -","- C160 H168 N64 O72 Yb8 -","8","1","","González, Jonay; Fagundes, Vinicius K.; Hay, Moya A.; Dallerba, Elena; Massi, Massimiliano; Hall, Christopher R.; Giansiracusa, Marcus J.; Boskovic, Colette","Correlating luminescence and single-molecule magnetism for two series of heteroleptic lanthanoid complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","4","1792","1805","10.1039/d5dt02364e","","x-ray","1.54184","CuKα","","0.0328","0.0308","","","0.0831","0.0847","","","","","","1.094","","","","has coordinates","305267","2026-04-04","19:24:20",""
"7720806","8.581","0.0001","16.1558","0.0001","14.6367","0.0001","90","","104.374","0.001","90","","1965.61","0.03","99.9","0.3","99.9","0.3","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","MH3-017-ErCl","","- C18 H18 Cl3 Er N4 -","- C18 H18 Cl3 Er N4 -","- C72 H72 Cl12 Er4 N16 -","4","1","","González, Jonay; Fagundes, Vinicius K.; Hay, Moya A.; Dallerba, Elena; Massi, Massimiliano; Hall, Christopher R.; Giansiracusa, Marcus J.; Boskovic, Colette","Correlating luminescence and single-molecule magnetism for two series of heteroleptic lanthanoid complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","4","1792","1805","10.1039/d5dt02364e","","x-ray","1.54184","CuKα","","0.0232","0.0225","","","0.0567","0.0571","","","","","","1.091","","","","has coordinates","305267","2026-04-04","19:24:20",""
"7720807","8.5552","0.0001","16.1143","0.0001","14.6171","0.0001","90","","104.291","0.001","90","","1952.77","0.03","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","MH3-017-YbCl","","- C18 H18 Cl3 N4 Yb -","- C18 H18 Cl3 N4 Yb -","- C72 H72 Cl12 N16 Yb4 -","4","1","","González, Jonay; Fagundes, Vinicius K.; Hay, Moya A.; Dallerba, Elena; Massi, Massimiliano; Hall, Christopher R.; Giansiracusa, Marcus J.; Boskovic, Colette","Correlating luminescence and single-molecule magnetism for two series of heteroleptic lanthanoid complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","4","1792","1805","10.1039/d5dt02364e","","x-ray","1.54184","CuKα","","0.028","0.0278","","","0.0724","0.0726","","","","","","1.149","","","","has coordinates","305267","2026-04-04","19:24:20",""
"7720808","21.9783","0.0003","8.4504","0.0001","27.0691","0.0004","90","","99.927","0.001","90","","4952.15","0.12","100","0.1","100.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","MH3-017-CeNO3","","- C20 H21 Ce N8 O9 -","- C20 H21 Ce N8 O9 -","- C160 H168 Ce8 N64 O72 -","8","1","","González, Jonay; Fagundes, Vinicius K.; Hay, Moya A.; Dallerba, Elena; Massi, Massimiliano; Hall, Christopher R.; Giansiracusa, Marcus J.; Boskovic, Colette","Correlating luminescence and single-molecule magnetism for two series of heteroleptic lanthanoid complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","4","1792","1805","10.1039/d5dt02364e","","x-ray","1.54184","CuKα","","0.0368","0.0357","","","0.1032","0.1042","","","","","","1.112","","","","has coordinates","305267","2026-04-04","19:24:20",""
"7720809","21.8507","0.0003","8.3476","0.0001","27.1171","0.0003","90","","99.82","0.001","90","","4873.71","0.1","100.01","0.1","100.01","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","MH3-017-GdNO3","","- C20 H21 Gd N8 O9 -","- C20 H21 Gd N8 O9 -","- C160 H168 Gd8 N64 O72 -","8","1","","González, Jonay; Fagundes, Vinicius K.; Hay, Moya A.; Dallerba, Elena; Massi, Massimiliano; Hall, Christopher R.; Giansiracusa, Marcus J.; Boskovic, Colette","Correlating luminescence and single-molecule magnetism for two series of heteroleptic lanthanoid complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","4","1792","1805","10.1039/d5dt02364e","","x-ray","1.54184","CuKα","","0.0385","0.0349","","","0.0904","0.0926","","","","","","1.1","","","","has coordinates","305267","2026-04-04","19:24:20",""
"7720810","21.7771","0.0002","8.2653","0.0001","27.1649","0.0002","90","","99.696","0.001","90","","4819.68","0.08","100.01","0.11","100.01","0.11","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","MH3-017-TmNO3","","- C20 H21 N8 O9 Tm -","- C20 H21 N8 O9 Tm -","- C160 H168 N64 O72 Tm8 -","8","1","","González, Jonay; Fagundes, Vinicius K.; Hay, Moya A.; Dallerba, Elena; Massi, Massimiliano; Hall, Christopher R.; Giansiracusa, Marcus J.; Boskovic, Colette","Correlating luminescence and single-molecule magnetism for two series of heteroleptic lanthanoid complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","4","1792","1805","10.1039/d5dt02364e","","x-ray","1.54184","CuKα","","0.0278","0.0272","","","0.0779","0.0784","","","","","","1.078","","","","has coordinates","305267","2026-04-04","19:24:20",""
"7720811","21.8885","0.0003","8.3711","0.0001","27.1008","0.0003","90","","99.849","0.001","90","","4892.52","0.11","100","0.14","100","0.14","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","MH3-017-SmNO3","","- C20 H21 N8 O9 Sm -","- C20 H21 N8 O9 Sm -","- C160 H168 N64 O72 Sm8 -","8","1","","González, Jonay; Fagundes, Vinicius K.; Hay, Moya A.; Dallerba, Elena; Massi, Massimiliano; Hall, Christopher R.; Giansiracusa, Marcus J.; Boskovic, Colette","Correlating luminescence and single-molecule magnetism for two series of heteroleptic lanthanoid complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","4","1792","1805","10.1039/d5dt02364e","","x-ray","1.54184","CuKα","","0.0299","0.0281","","","0.0721","0.073","","","","","","1.086","","","","has coordinates","305267","2026-04-04","19:24:20",""
"7720812","8.6251","0.0001","16.2353","0.0001","14.6448","0.0001","90","","104.511","0.001","90","","1985.31","0.03","100","0.4","100","0.4","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","MH3-017-TbCl","","- C18 H18 Cl3 N4 Tb -","- C18 H18 Cl3 N4 Tb -","- C72 H72 Cl12 N16 Tb4 -","4","1","","González, Jonay; Fagundes, Vinicius K.; Hay, Moya A.; Dallerba, Elena; Massi, Massimiliano; Hall, Christopher R.; Giansiracusa, Marcus J.; Boskovic, Colette","Correlating luminescence and single-molecule magnetism for two series of heteroleptic lanthanoid complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","4","1792","1805","10.1039/d5dt02364e","","x-ray","1.54184","CuKα","","0.0273","0.0266","","","0.0749","0.0758","","","","","","0.838","","","","has coordinates","305267","2026-04-04","19:24:20",""
"7720813","8.5963","0.0001","16.1773","0.0001","14.6344","0.0001","90","","104.401","0.001","90","","1971.19","0.03","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","MH3-017-HoCl","","- C18 H18 Cl3 Ho N4 -","- C18 H18 Cl3 Ho N4 -","- C72 H72 Cl12 Ho4 N16 -","4","1","","González, Jonay; Fagundes, Vinicius K.; Hay, Moya A.; Dallerba, Elena; Massi, Massimiliano; Hall, Christopher R.; Giansiracusa, Marcus J.; Boskovic, Colette","Correlating luminescence and single-molecule magnetism for two series of heteroleptic lanthanoid complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","4","1792","1805","10.1039/d5dt02364e","","x-ray","1.54184","CuKα","","0.0281","0.0275","","","0.0731","0.0736","","","","","","1.1","","","","has coordinates","305267","2026-04-04","19:24:20",""
"7720814","21.8449","0.0003","8.3187","0.0001","27.1436","0.0004","90","","99.773","0.002","90","","4860.99","0.12","100","0.15","100","0.15","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","MH3-017-TbNO3","","- C20 H21 N8 O9 Tb -","- C20 H21 N8 O9 Tb -","- C160 H168 N64 O72 Tb8 -","8","1","","González, Jonay; Fagundes, Vinicius K.; Hay, Moya A.; Dallerba, Elena; Massi, Massimiliano; Hall, Christopher R.; Giansiracusa, Marcus J.; Boskovic, Colette","Correlating luminescence and single-molecule magnetism for two series of heteroleptic lanthanoid complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","4","1792","1805","10.1039/d5dt02364e","","x-ray","1.54184","CuKα","","0.042","0.038","","","0.1077","0.1101","","","","","","1.12","","","","has coordinates","305267","2026-04-04","19:24:20",""
"7720815","8.5679","0.0001","16.1284","0.0001","14.6262","0.0001","90","","104.309","0.001","90","","1958.44","0.03","99.99","0.1","99.99","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","MH3-017-TmCl","","- C18 H18 Cl3 N4 Tm -","- C18 H18 Cl3 N4 Tm -","- C72 H72 Cl12 N16 Tm4 -","4","1","","González, Jonay; Fagundes, Vinicius K.; Hay, Moya A.; Dallerba, Elena; Massi, Massimiliano; Hall, Christopher R.; Giansiracusa, Marcus J.; Boskovic, Colette","Correlating luminescence and single-molecule magnetism for two series of heteroleptic lanthanoid complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","4","1792","1805","10.1039/d5dt02364e","","x-ray","1.54184","CuKα","","0.03","0.0294","","","0.0774","0.0779","","","","","","1.073","","","","has coordinates","305267","2026-04-04","19:24:20",""
"7720816","21.8229","0.0002","8.3106","0.0001","27.1281","0.0003","90","","99.777","0.001","90","","4848.53","0.09","100","0.1","100","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","MH3-017-DyNO3","","- C20 H21 Dy N8 O9 -","- C20 H21 Dy N8 O9 -","- C160 H168 Dy8 N64 O72 -","8","1","","González, Jonay; Fagundes, Vinicius K.; Hay, Moya A.; Dallerba, Elena; Massi, Massimiliano; Hall, Christopher R.; Giansiracusa, Marcus J.; Boskovic, Colette","Correlating luminescence and single-molecule magnetism for two series of heteroleptic lanthanoid complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","4","1792","1805","10.1039/d5dt02364e","","x-ray","1.54184","CuKα","","0.0275","0.025","","","0.0618","0.0628","","","","","","1.105","","","","has coordinates","305267","2026-04-04","19:24:20",""
"7720817","21.9161","0.0004","8.4144","0.0001","27.0806","0.0005","90","","99.914","0.002","90","","4919.38","0.14","100","0.11","100","0.11","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","MH3-017-NdNO3","","- C20 H21 N8 Nd O9 -","- C20 H21 N8 Nd O9 -","- C160 H168 N64 Nd8 O72 -","8","1","","González, Jonay; Fagundes, Vinicius K.; Hay, Moya A.; Dallerba, Elena; Massi, Massimiliano; Hall, Christopher R.; Giansiracusa, Marcus J.; Boskovic, Colette","Correlating luminescence and single-molecule magnetism for two series of heteroleptic lanthanoid complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","4","1792","1805","10.1039/d5dt02364e","","x-ray","1.54184","CuKα","","0.0597","0.0511","","","0.1386","0.1415","","","","","","1.113","","","","has coordinates","305267","2026-04-04","19:24:20",""
"7720818","18.0875","0.0014","13.3416","0.0011","12.7322","0.0009","90","","94.982","0.005","90","","3060.9","0.4","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C21 H28.67 Br F12 Mn N4 O3.33 P2 -","- C21 H28 Br F12 Mn N4 O3.3333 P2 -","- C84 H112 Br4 F48 Mn4 N16 O13.3332 P8 -","4","1","","Kramer, Wesley W.; Sheridan, Thomas R.; Pérez-Vázquez, Jorge; Boivin, Christophe A.; Browne, Amanda M.; Logan, Catherine G.; Sanders, Brian C.","Pendant-cation assisted spontaneous axial halide substitution in group 7 M(L)(CO)<sub>3</sub>X complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5197","5209","10.1039/d5dt02433a","","","1.54178","CuKα","","0.1261","0.0783","","","0.165","0.1913","","","","","","1.019","","","","has coordinates","305268","2026-04-04","19:26:14",""
"7720819","13.0356","0.0006","13.2377","0.0006","14.7412","0.0007","113.893","0.0017","96.814","0.002","111.367","0.0018","2057.32","0.18","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H40.5 F18 N6.5 O3.5 P3 Re -","- C28 H40.5 F18 N6.5 O3.5 P3 Re -","- C56 H81 F36 N13 O7 P6 Re2 -","2","1","","Kramer, Wesley W.; Sheridan, Thomas R.; Pérez-Vázquez, Jorge; Boivin, Christophe A.; Browne, Amanda M.; Logan, Catherine G.; Sanders, Brian C.","Pendant-cation assisted spontaneous axial halide substitution in group 7 M(L)(CO)<sub>3</sub>X complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5197","5209","10.1039/d5dt02433a","","","0.71073","MoKα","","0.0644","0.0415","","","0.0665","0.0717","","","","","","1.031","","","","has coordinates,has disorder","305268","2026-04-04","19:26:14",""
"7720820","18.1497","0.001","13.5754","0.0009","12.6756","0.0008","90","","96.113","0.003","90","","3105.4","0.3","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C22 H29.5 Cl F12 N4.5 O3 P2 Re -","- C22 H29.5 Cl F12 N4.5 O3 P2 Re -","- C88 H118 Cl4 F48 N18 O12 P8 Re4 -","4","1","","Kramer, Wesley W.; Sheridan, Thomas R.; Pérez-Vázquez, Jorge; Boivin, Christophe A.; Browne, Amanda M.; Logan, Catherine G.; Sanders, Brian C.","Pendant-cation assisted spontaneous axial halide substitution in group 7 M(L)(CO)<sub>3</sub>X complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","13","5197","5209","10.1039/d5dt02433a","","","0.71073","MoKα","","0.07","0.0442","","","0.0897","0.1007","","","","","","1.037","","","","has coordinates,has disorder","305268","2026-04-04","19:26:14",""
"7720821","13.1657","0.0011","9.8111","0.0009","16.6682","0.0012","90","","95.053","0.005","90","","2144.7","0.3","296","2","296.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C2.67 H6.22 Br0.89 Cd0.22 N0.44 O0.44 -","- C2.66667 H6.22222 Br0.888889 Cd0.222222 N0.444444 O0.444444 -","- C48 H112 Br16 Cd4 N8 O8 -","18","2.25","","Zhu, Jie-Yu; Zhang, Cheng-Fang; Zhu, Runtian; Cao, Qing-Ling; Zhong, Wen-He; Zhao, Jia-Jia; Chen, Li-Zhuang","Organic-inorganic hybrid materials with high phase transition temperatures regulated by halogen substitution.","Dalton transactions (Cambridge, England : 2003)","2026","55","17","6897","6903","10.1039/d6dt00077k","","","0.71073","MoKα","","0.0568","0.032","","","0.0623","0.0685","","","","","","1.018","","","","has coordinates","306386","2026-06-05","18:56:37",""
"7720822","8.3016","0.0003","10.5798","0.0004","12.1096","0.0004","89.598","0.002","79.447","0.002","83.943","0.002","1039.67","0.06","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C12 H28 Cd Cl4 N2 O2 -","- C12 H28 Cd Cl4 N2 O2 -","- C24 H56 Cd2 Cl8 N4 O4 -","2","1","","Zhu, Jie-Yu; Zhang, Cheng-Fang; Zhu, Runtian; Cao, Qing-Ling; Zhong, Wen-He; Zhao, Jia-Jia; Chen, Li-Zhuang","Organic-inorganic hybrid materials with high phase transition temperatures regulated by halogen substitution.","Dalton transactions (Cambridge, England : 2003)","2026","55","17","6897","6903","10.1039/d6dt00077k","","","0.71073","MoKα","","0.0308","0.0285","","","0.0713","0.0743","","","","","","1.089","","","","has coordinates","306386","2026-06-05","18:56:37",""
"7720823","13.548","0.003","10.083","0.003","17.418","0.004","90","","93.764","0.013","90","","2374.2","1","296","2","296.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H28 Cd I4 N2 O2 -","- C12 H28 Cd I4 N2 O2 -","- C48 H112 Cd4 I16 N8 O8 -","4","0.5","","Zhu, Jie-Yu; Zhang, Cheng-Fang; Zhu, Runtian; Cao, Qing-Ling; Zhong, Wen-He; Zhao, Jia-Jia; Chen, Li-Zhuang","Organic-inorganic hybrid materials with high phase transition temperatures regulated by halogen substitution.","Dalton transactions (Cambridge, England : 2003)","2026","55","17","6897","6903","10.1039/d6dt00077k","","","0.71073","MoKα","","0.0297","0.0261","","","0.0605","0.0624","","","","","","1.157","","","","has coordinates","306386","2026-06-05","18:56:37",""
"7720824","26.0953","0.0002","12.63448","0.00011","16.11327","0.00012","90","","103.857","0.0009","90","","5157.94","0.07","120","0.1","120","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C67 H61 N5 -","- C67 H61 N5 -","- C268 H244 N20 -","4","1","","Le-Hoang, Giau; Guénée, Laure; Piguet, Claude","Tailoring Exciplex Formation in Metal-Induced Supramolecular Organization","Dalton Transactions","2026","","","","","10.1039/D6DT00490C","","x-ray","1.54184","CuKα","","0.0544","0.0484","","","0.1275","0.1312","","","","","","1.057","","","","has coordinates","305457","2026-04-06","23:02:10",""
"7720825","20.0975","0.00011","14.10417","0.00006","30.1535","0.00018","90","","90","","90","","8547.27","0.08","120","0.1","120","0.1","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C91.5 H86 Cl Eu F18 N5 O6 -","- C82.5 H65 Cl Eu F18 N5 O6 -","- C330 H260 Cl4 Eu4 F72 N20 O24 -","4","0.5","","Le-Hoang, Giau; Guénée, Laure; Piguet, Claude","Tailoring Exciplex Formation in Metal-Induced Supramolecular Organization","Dalton Transactions","2026","","","","","10.1039/D6DT00490C","","x-ray","1.54184","CuKα","","0.0677","0.0636","","","0.1829","0.1869","","","","","","1.054","","","","has coordinates,has disorder","305457","2026-04-06","23:02:10",""
"7720826","22.92754","0.00011","16.6776","0.00008","16.28183","0.00007","90","","97.6632","0.0004","90","","6170.18","0.05","120","0.11","120","0.11","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C64 H52 Eu F18 N5 O7 -","- C64 H52 Eu F18 N5 O7 -","- C256 H208 Eu4 F72 N20 O28 -","4","1","","Le-Hoang, Giau; Guénée, Laure; Piguet, Claude","Tailoring Exciplex Formation in Metal-Induced Supramolecular Organization","Dalton Transactions","2026","","","","","10.1039/D6DT00490C","","x-ray","1.54184","CuKα","","0.0486","0.0436","","","0.1068","0.1096","","","","","","1.043","","","","has coordinates,has disorder","305457","2026-04-06","23:02:10",""
"7720827","19.71021","0.00019","17.83878","0.00016","22.5695","0.0002","90","","94.1684","0.0008","90","","7914.58","0.13","120","0.1","120","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C49 H49 N5 O -","- C49 H49 N5 O -","- C392 H392 N40 O8 -","8","2","","Le-Hoang, Giau; Guénée, Laure; Piguet, Claude","Tailoring Exciplex Formation in Metal-Induced Supramolecular Organization","Dalton Transactions","2026","","","","","10.1039/D6DT00490C","","x-ray","1.54184","CuKα","","0.0584","0.0466","","","0.1294","0.1379","","","","","","1.047","","","","has coordinates","305457","2026-04-06","23:02:10",""
"7720828","12.36202","0.00019","27.8313","0.0004","18.0883","0.0002","90","","91.0352","0.0014","90","","6222.28","0.15","119.99","0.1","119.99","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C64 H51 F18 N5 O7 Y -","- C64 H51 F18 N5 O7 Y -","- C256 H204 F72 N20 O28 Y4 -","4","1","","Le-Hoang, Giau; Guénée, Laure; Piguet, Claude","Tailoring Exciplex Formation in Metal-Induced Supramolecular Organization","Dalton Transactions","2026","","","","","10.1039/D6DT00490C","","x-ray","1.54184","CuKα","","0.0753","0.0582","","","0.1475","0.1573","","","","","","1.029","","","","has coordinates,has disorder","305457","2026-04-06","23:02:10",""
"7720829","20.11679","0.00014","14.05917","0.00008","30.12016","0.00014","90","","90","","90","","8518.75","0.09","119.99","0.1","119.99","0.1","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C95.5 H95.5 F18 N5 O6 Y -","- C82 H64 F18 N5 O6 Y -","- C328 H256 F72 N20 O24 Y4 -","4","0.5","","Le-Hoang, Giau; Guénée, Laure; Piguet, Claude","Tailoring Exciplex Formation in Metal-Induced Supramolecular Organization","Dalton Transactions","2026","","","","","10.1039/D6DT00490C","","x-ray","1.54184","CuKα","","0.0668","0.0602","","","0.1795","0.185","","","","","","1.084","","","","has coordinates","305457","2026-04-06","23:02:10",""
"7720830","10.8378","0.0002","11.3215","0.0002","19.7056","0.0004","83.585","0.002","83.958","0.002","79.708","0.002","2355.07","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H50 N4 O27 Tb2 -","- C36 H50 N4 O27 Tb2 -","- C72 H100 N8 O54 Tb4 -","2","1","","Liu, Yan; Chen, Wanting; Zheng, Bobi; Xu, Han; Tian, Jumei","Novel ""turn-off"" and ""turn-on"" fluorescent responses for Zr<sup>4+</sup> enabled by rare-earth coordination polymers based on the 2,5-dihydroxyterephthalic acid ligand.","Dalton transactions (Cambridge, England : 2003)","2026","55","18","7251","7259","10.1039/d5dt02864g","","x-ray","1.54184","CuKα","","0.034","0.0297","","","0.0734","0.0758","","","","","","1.021","","","","has coordinates,has disorder","306418","2026-06-05","19:07:23",""
"7720831","10.773","0.0002","11.254","0.0002","19.6698","0.0004","83.59","0.002","83.845","0.002","79.622","0.002","2321.8","0.08","233.01","0.1","233.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C36 H50 N4 O27 Y2 -","- C36 H50 N4 O27 Y2 -","- C72 H100 N8 O54 Y4 -","2","1","","Liu, Yan; Chen, Wanting; Zheng, Bobi; Xu, Han; Tian, Jumei","Novel ""turn-off"" and ""turn-on"" fluorescent responses for Zr<sup>4+</sup> enabled by rare-earth coordination polymers based on the 2,5-dihydroxyterephthalic acid ligand.","Dalton transactions (Cambridge, England : 2003)","2026","55","18","7251","7259","10.1039/d5dt02864g","","x-ray","1.54184","CuKα","","0.033","0.0274","","","0.0663","0.0693","","","","","","1.046","","","","has coordinates,has disorder","306418","2026-06-05","19:07:23",""
"7720832","8.215","0.0003","9.8266","0.0005","10.9541","0.0003","85.363","0.003","84.61","0.003","72.071","0.004","836.35","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H15 Cu N3 O7 -","- C17 H15 Cu N3 O7 -","- C34 H30 Cu2 N6 O14 -","2","1","","Kurjan, Jakub; Jendželovská, Zuzana; Dečmanová, Viktória; Jendželovský, Rastislav; Kastratovic, Nikolina; Volarevic, Vladislav; Smolko, Lukáš; Smolková, Romana; Litecká, Miroslava; Zubrik, Anton; Jáger, Dávid; Varhač, Rastislav; Potočňák, Ivan","Structure-bioactivity relationship in copper(II) complexes with new halogenated coumarin derivatives.","Dalton transactions (Cambridge, England : 2003)","2026","55","15","6191","6211","10.1039/d5dt02641e","","","1.54184","CuKα","","0.0511","0.0468","","","0.1326","0.1381","","","","","","1.091","","","","has coordinates","305829","2026-05-05","09:19:03",""
"7720833","9.2226","0.0003","11.4194","0.0004","16.1604","0.0005","90","","106.219","0.003","90","","1634.22","0.1","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H24 Cu2 F2 N6 O12 -","- C34 H24 Cu2 F2 N6 O12 -","- C68 H48 Cu4 F4 N12 O24 -","2","0.5","","Kurjan, Jakub; Jendželovská, Zuzana; Dečmanová, Viktória; Jendželovský, Rastislav; Kastratovic, Nikolina; Volarevic, Vladislav; Smolko, Lukáš; Smolková, Romana; Litecká, Miroslava; Zubrik, Anton; Jáger, Dávid; Varhač, Rastislav; Potočňák, Ivan","Structure-bioactivity relationship in copper(II) complexes with new halogenated coumarin derivatives.","Dalton transactions (Cambridge, England : 2003)","2026","55","15","6191","6211","10.1039/d5dt02641e","","","0.71073","MoKα","","0.0515","0.0334","","","0.0744","0.0828","","","","","","1.027","","","","has coordinates","305829","2026-05-05","09:19:03",""
"7720834","9.7971","0.0006","8.3659","0.0004","21.8709","0.0012","90","","94.624","0.005","90","","1786.74","0.17","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H12 Br Cu N3 O6 -","- C17 H12 Br Cu N3 O6 -","- C68 H48 Br4 Cu4 N12 O24 -","4","1","","Kurjan, Jakub; Jendželovská, Zuzana; Dečmanová, Viktória; Jendželovský, Rastislav; Kastratovic, Nikolina; Volarevic, Vladislav; Smolko, Lukáš; Smolková, Romana; Litecká, Miroslava; Zubrik, Anton; Jáger, Dávid; Varhač, Rastislav; Potočňák, Ivan","Structure-bioactivity relationship in copper(II) complexes with new halogenated coumarin derivatives.","Dalton transactions (Cambridge, England : 2003)","2026","55","15","6191","6211","10.1039/d5dt02641e","","","0.71073","MoKα","","0.0518","0.0333","","","0.0673","0.0747","","","","","","1.067","","","","has coordinates","305829","2026-05-05","09:19:03",""
"7720835","9.3394","0.0003","11.8109","0.0004","16.5569","0.0006","90","","105.541","0.004","90","","1759.56","0.11","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H24 Br2 Cu2 N6 O12 -","- C34 H24 Br2 Cu2 N6 O12 -","- C68 H48 Br4 Cu4 N12 O24 -","2","0.5","","Kurjan, Jakub; Jendželovská, Zuzana; Dečmanová, Viktória; Jendželovský, Rastislav; Kastratovic, Nikolina; Volarevic, Vladislav; Smolko, Lukáš; Smolková, Romana; Litecká, Miroslava; Zubrik, Anton; Jáger, Dávid; Varhač, Rastislav; Potočňák, Ivan","Structure-bioactivity relationship in copper(II) complexes with new halogenated coumarin derivatives.","Dalton transactions (Cambridge, England : 2003)","2026","55","15","6191","6211","10.1039/d5dt02641e","","","0.71073","MoKα","","0.0455","0.0301","","","0.0722","0.079","","","","","","1.025","","","","has coordinates","305829","2026-05-05","09:19:03",""
"7720836","9.192","0.0003","11.7488","0.0004","16.3509","0.0006","90","","105.517","0.004","90","","1701.45","0.11","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H24 Cl2 Cu2 N6 O12 -","- C34 H24 Cl2 Cu2 N6 O12 -","- C68 H48 Cl4 Cu4 N12 O24 -","2","0.5","","Kurjan, Jakub; Jendželovská, Zuzana; Dečmanová, Viktória; Jendželovský, Rastislav; Kastratovic, Nikolina; Volarevic, Vladislav; Smolko, Lukáš; Smolková, Romana; Litecká, Miroslava; Zubrik, Anton; Jáger, Dávid; Varhač, Rastislav; Potočňák, Ivan","Structure-bioactivity relationship in copper(II) complexes with new halogenated coumarin derivatives.","Dalton transactions (Cambridge, England : 2003)","2026","55","15","6191","6211","10.1039/d5dt02641e","","","0.71073","MoKα","","0.0473","0.0331","","","0.077","0.0855","","","","","","1.045","","","","has coordinates","305829","2026-05-05","09:19:03",""
"7720837","11.1907","0.0008","11.405","0.0008","13.4108","0.0009","87.716","0.004","69.856","0.004","82.009","0.004","1591.3","0.2","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H43 Cr N4 O4 -","- C32 H43 Cr N4 O4 -","- C64 H86 Cr2 N8 O8 -","2","1","","VandeVen, Warren; Mahato, Samyadeb; LeComte, Avery; MacNeil, Gregory A.; Zhou, Wen; Thomas, Fabrice; Walsby, Charles J.; Delgado-Jaime, Mario U; Storr, Tim","Electronic effects of <i>para</i>-phenolate substitution in an extended series of neutral and oxidized chromium salen nitrides.","Dalton transactions (Cambridge, England : 2003)","2026","55","17","6863","6875","10.1039/d5dt02506k","","","1.54178","CuKα","","0.0747","0.0725","","","0.2109","0.212","","","","","","1.154","","","","has coordinates,has disorder","306383","2026-06-05","18:55:59",""
"7720838","11.3449","0.0004","23.9136","0.0007","10.825","0.0004","90","","104.661","0.002","90","","2841.17","0.17","296.15","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C3.03 H3.68 Cr0.11 N0.54 O0.65 -","- C3.02703 H3.67568 Cr0.108108 N0.540541 O0.648649 -","- C112 H136 Cr4 N20 O24 -","37","9.25","","VandeVen, Warren; Mahato, Samyadeb; LeComte, Avery; MacNeil, Gregory A.; Zhou, Wen; Thomas, Fabrice; Walsby, Charles J.; Delgado-Jaime, Mario U; Storr, Tim","Electronic effects of <i>para</i>-phenolate substitution in an extended series of neutral and oxidized chromium salen nitrides.","Dalton transactions (Cambridge, England : 2003)","2026","55","17","6863","6875","10.1039/d5dt02506k","","","1.54178","CuKα","","0.0835","0.0604","","","0.1361","0.1472","","","","","","1.053","","","","has coordinates","306383","2026-06-05","18:55:59",""
"7720839","14.9068","0.0008","13.4404","0.0008","21.2637","0.0012","90","","99.155","0.004","90","","4206","0.4","210","2","210","2","","","","","","","","6","I 1 2 1","I 2y","5","","","","- C80 H120 Cl0 Cr2 N6 O11 -","- C80 H120 Cr2 N6 O11 -","- C160 H240 Cr4 N12 O22 -","2","0.5","","VandeVen, Warren; Mahato, Samyadeb; LeComte, Avery; MacNeil, Gregory A.; Zhou, Wen; Thomas, Fabrice; Walsby, Charles J.; Delgado-Jaime, Mario U; Storr, Tim","Electronic effects of <i>para</i>-phenolate substitution in an extended series of neutral and oxidized chromium salen nitrides.","Dalton transactions (Cambridge, England : 2003)","2026","55","17","6863","6875","10.1039/d5dt02506k","","","0.71073","MoKα","","0.1082","0.0831","","","0.2501","0.2707","","","","","","1.1","","","","has coordinates","306383","2026-06-05","18:55:59",""
"7720840","13.143","0.0002","12.8048","0.0002","15.4554","0.0003","90","","99.915","0.001","90","","2562.19","0.08","296.15","","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C3.39 H4.36 Cr0.12 N0.36 O0.24 -","- C3.39394 H4.36364 Cr0.121212 N0.363636 O0.242424 -","- C112 H144 Cr4 N12 O8 -","33","8.25","","VandeVen, Warren; Mahato, Samyadeb; LeComte, Avery; MacNeil, Gregory A.; Zhou, Wen; Thomas, Fabrice; Walsby, Charles J.; Delgado-Jaime, Mario U; Storr, Tim","Electronic effects of <i>para</i>-phenolate substitution in an extended series of neutral and oxidized chromium salen nitrides.","Dalton transactions (Cambridge, England : 2003)","2026","55","17","6863","6875","10.1039/d5dt02506k","","","1.54178","CuKα","","0.0337","0.0318","","","0.0908","0.0924","","","","","","1.046","","","","has coordinates","306383","2026-06-05","18:55:59",""
"7720841","16.2038","0.001","11.7856","0.0008","15.4244","0.001","90","","108.735","0.002","90","","2789.5","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H23 Cl2 Cu N5 O8 -","- C26 H23 Cl2 Cu N5 O8 -","- C104 H92 Cl8 Cu4 N20 O32 -","4","1","","Murali, Mariappan; Kanchana Mala, Anbarasu; Sangeetha, Somasundaram; Selvakumaran, Balasubramaniam; Arul Prakash, Pitchan; Shanmugavadivel, Selvaraj; Ajay Kamal, Tamilarasan; Mohamed Jaabir, Mohamed Sultan","Interaction of copper(II) (3 + 2) N-chelating complexes with DNA and BSA: hydrolytic DNA cleavage and ROS-mediated apoptosis.","Dalton transactions (Cambridge, England : 2003)","2026","55","14","5466","5484","10.1039/d5dt02476e","","","0.71073","MoKα","","0.0507","0.0397","","","0.0994","0.1087","","","","","","1.048","","","","has coordinates,has disorder","305808","2026-05-05","09:13:26",""
"7720842","9.3108","0.0005","15.1785","0.0008","12.2478","0.0006","90","","93.9395","0.0019","90","","1726.82","0.16","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H24 Cl2 N2 Si -","- C15 H24 Cl2 N2 Si -","- C60 H96 Cl8 N8 Si4 -","4","1","","Kumar, Hemant; Kelley, Steven P.; Batra, Tanya; Nagendran, Selvarajan; Walensky, Justin R.","Aluminum dihydride from E(IV) precursors (E = Si, Ge) and its bond-activation reactivities.","Dalton transactions (Cambridge, England : 2003)","2026","55","16","6453","6461","10.1039/d6dt00474a","","","0.71073","MoKα","","0.0503","0.0375","","","0.0735","0.0787","","","","","","1.146","","","","has coordinates","305801","2026-05-05","09:11:47",""
"7720843","14.1971","0.0008","16.5632","0.0008","16.424","0.0009","90","","112.512","0.002","90","","3567.8","0.3","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C68 H116 Al4 N8 O2 -","- C60 H100 Al4 N8 -","- C120 H200 Al8 N16 -","2","0.5","","Kumar, Hemant; Kelley, Steven P.; Batra, Tanya; Nagendran, Selvarajan; Walensky, Justin R.","Aluminum dihydride from E(IV) precursors (E = Si, Ge) and its bond-activation reactivities.","Dalton transactions (Cambridge, England : 2003)","2026","55","16","6453","6461","10.1039/d6dt00474a","","","0.71073","MoKα","","0.0556","0.0461","","","0.128","0.1354","","","","","","1.069","","","","has coordinates","305801","2026-05-05","09:11:47",""
"7720844","11.6862","0.0008","16.6096","0.0011","16.7149","0.0011","90","","90","","90","","3244.4","0.4","173","","173","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H46 Al2 N4 S2 -","- C30 H46 Al2 N4 S2 -","- C120 H184 Al8 N16 S8 -","4","0.5","","Kumar, Hemant; Kelley, Steven P.; Batra, Tanya; Nagendran, Selvarajan; Walensky, Justin R.","Aluminum dihydride from E(IV) precursors (E = Si, Ge) and its bond-activation reactivities.","Dalton transactions (Cambridge, England : 2003)","2026","55","16","6453","6461","10.1039/d6dt00474a","","","0.71073","MoKα","","0.0906","0.0614","","","0.1602","0.19","","","","","","1.093","","","","has coordinates,has disorder","305801","2026-05-05","09:11:47",""
"7720845","9.7577","0.001","12.7902","0.0014","13.6017","0.0015","97.307","0.004","109.658","0.004","106.332","0.004","1487.2","0.3","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C30 H47 Al N4 -","- C30 H47 Al N4 -","- C60 H94 Al2 N8 -","2","1","","Kumar, Hemant; Kelley, Steven P.; Batra, Tanya; Nagendran, Selvarajan; Walensky, Justin R.","Aluminum dihydride from E(IV) precursors (E = Si, Ge) and its bond-activation reactivities.","Dalton transactions (Cambridge, England : 2003)","2026","55","16","6453","6461","10.1039/d6dt00474a","","","0.71073","MoKα","","0.1544","0.1046","","","0.2255","0.2536","","","","","","1.242","","","","has coordinates","305801","2026-05-05","09:11:47",""
"7720846","10.6065","0.0005","19.8478","0.001","14.3414","0.0007","90","","95.965","0.002","90","","3002.7","0.3","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H47 Al N4 -","- C30 H47 Al N4 -","- C120 H188 Al4 N16 -","4","1","","Kumar, Hemant; Kelley, Steven P.; Batra, Tanya; Nagendran, Selvarajan; Walensky, Justin R.","Aluminum dihydride from E(IV) precursors (E = Si, Ge) and its bond-activation reactivities.","Dalton transactions (Cambridge, England : 2003)","2026","55","16","6453","6461","10.1039/d6dt00474a","","","0.71073","MoKα","","0.0975","0.0521","","","0.111","0.1364","","","","","","1.099","","","","has coordinates","305801","2026-05-05","09:11:47",""
"7720847","13.183","0.0007","8.9346","0.0004","15.4846","0.0008","90","","108.115","0.002","90","","1733.45","0.15","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H23 Al Cl2 N2 -","- C15 H23 Al Cl2 N2 -","- C60 H92 Al4 Cl8 N8 -","4","1","","Kumar, Hemant; Kelley, Steven P.; Batra, Tanya; Nagendran, Selvarajan; Walensky, Justin R.","Aluminum dihydride from E(IV) precursors (E = Si, Ge) and its bond-activation reactivities.","Dalton transactions (Cambridge, England : 2003)","2026","55","16","6453","6461","10.1039/d6dt00474a","","","0.71073","MoKα","","0.0441","0.034","","","0.0812","0.0904","","","","","","1.061","","","","has coordinates,has disorder","305801","2026-05-05","09:11:47",""
"7720848","11.708","0.005","16.543","0.006","17.501","0.006","90","","90","","90","","3390","2","173","","173","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H46 Al2 N4 Se2 -","- C30 H46 Al2 N4 Se2 -","- C120 H184 Al8 N16 Se8 -","4","0.5","","Kumar, Hemant; Kelley, Steven P.; Batra, Tanya; Nagendran, Selvarajan; Walensky, Justin R.","Aluminum dihydride from E(IV) precursors (E = Si, Ge) and its bond-activation reactivities.","Dalton transactions (Cambridge, England : 2003)","2026","55","16","6453","6461","10.1039/d6dt00474a","","","0.71073","MoKα","","0.074","0.0382","","","0.0922","0.1203","","","","","","1.08","","","","has coordinates,has disorder","305801","2026-05-05","09:11:47",""
"7720849","21.3042","0.0002","25.7788","0.0002","29.4625","0.0003","90","","90","","90","","16180.7","0.3","150","0.1","150","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C103 H82 Cl2 N2 O3 Pd -","- C103 H82 Cl2 N2 O3 Pd -","- C824 H656 Cl16 N16 O24 Pd8 -","8","1","","Quan, Ziyi; Wang, Zheng; Liu, Yaxu; Sun, Yuanchao; Wang, Bo","A robust [Pd(BIAN-IPr<sup>#</sup>)Cl<sub>2</sub>(H<sub>2</sub>O)] catalyst employing water as a disposable ligand for C-S cross coupling of aryl chlorides and thiols.","Dalton transactions (Cambridge, England : 2003)","2026","55","17","6934","6943","10.1039/d6dt00623j","","x-ray","1.54184","CuKα","","0.0973","0.0861","","","0.2434","0.2563","","","","","","1.043","","","","has coordinates","306380","2026-06-05","18:55:28",""
"7720850","14.4613","0.0003","16.755","0.0004","16.901","0.0004","97.331","0.002","94.758","0.002","90.248","0.002","4047.16","0.16","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","Pd(IPr#)Cl2(OH2)","","- C95 H78 Cl6 N2 O Pd -","- C94 H76 Cl4 N2 O Pd -","- C188 H152 Cl8 N4 O2 Pd2 -","2","1","","Quan, Ziyi; Wang, Zheng; Liu, Yaxu; Sun, Yuanchao; Wang, Bo","A robust [Pd(BIAN-IPr<sup>#</sup>)Cl<sub>2</sub>(H<sub>2</sub>O)] catalyst employing water as a disposable ligand for C-S cross coupling of aryl chlorides and thiols.","Dalton transactions (Cambridge, England : 2003)","2026","55","17","6934","6943","10.1039/d6dt00623j","","x-ray","1.54184","CuKα","","0.0454","0.0375","","","0.0932","0.098","","","","","","1.027","","","","has coordinates","306380","2026-06-05","18:55:28",""
"7720851","14.7717","0.0002","16.6159","0.0002","19.1879","0.0001","81.106","0.001","81.039","0.001","86.818","0.001","4593.77","0.09","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","C106","Pd(BIAN-IPr#)Cl(allyl)","","- C110 H87 Cl9 N2 Pd -","- C110 H87 Cl9 N2 Pd -","- C220 H174 Cl18 N4 Pd2 -","2","1","","Quan, Ziyi; Wang, Zheng; Liu, Yaxu; Sun, Yuanchao; Wang, Bo","A robust [Pd(BIAN-IPr<sup>#</sup>)Cl<sub>2</sub>(H<sub>2</sub>O)] catalyst employing water as a disposable ligand for C-S cross coupling of aryl chlorides and thiols.","Dalton transactions (Cambridge, England : 2003)","2026","55","17","6934","6943","10.1039/d6dt00623j","","x-ray","1.54184","CuKα","","0.1017","0.0974","","","0.2833","0.2903","","","","","","1.262","","","","has coordinates","306380","2026-06-05","18:55:28",""
"7720852","5.8458","0.0003","10.1305","0.0006","12.1382","0.0006","79.52","0.002","80.742","0.002","76.902","0.002","683.06","0.06","298","","298","","","","","","","","","6","P -1","-P 1","2","","","","- C9 H10 Br Cd N3 S2 -","- C9 H10 Br Cd N3 S2 -","- C18 H20 Br2 Cd2 N6 S4 -","2","1","","Milder, Alexander; Woodward, Patrick M.","Structural design principles for hybrid cadmium thiocyanate-halides containing bulky organic cations.","Dalton transactions (Cambridge, England : 2003)","2026","55","16","6441","6452","10.1039/d6dt00207b","","x-ray","0.71073","MoKα","K-L~3~","0.0595","0.033","","","0.0574","0.0665","","","","","","1.002","","","","has coordinates","306399","2026-06-05","19:04:40",""
"7720853","5.8644","0.0002","9.7409","0.0004","12.1164","0.0005","79.447","0.001","78.168","0.001","79.137","0.001","657.74","0.04","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C7 H14 Cd Cl N3 S2 -","- C7 H14 Cd Cl N3 S2 -","- C14 H28 Cd2 Cl2 N6 S4 -","2","1","","Milder, Alexander; Woodward, Patrick M.","Structural design principles for hybrid cadmium thiocyanate-halides containing bulky organic cations.","Dalton transactions (Cambridge, England : 2003)","2026","55","16","6441","6452","10.1039/d6dt00207b","","x-ray","0.71073","MoKα","K-L~3~","0.0198","0.0175","","","0.0414","0.0436","","","","","","1.105","","","","has coordinates,has disorder","306399","2026-06-05","19:04:40",""
"7720854","5.9164","0.0006","9.8218","0.0012","11.8747","0.0015","99.211","0.004","103.298","0.004","98.195","0.004","651.22","0.13","273.15","","273.15","","","","","","","","","6","P -1","-P 1","2","","","","- C7 H12 Br Cd N3 S2 -","- C7 H12 Br Cd N3 S2 -","- C14 H24 Br2 Cd2 N6 S4 -","2","1","","Milder, Alexander; Woodward, Patrick M.","Structural design principles for hybrid cadmium thiocyanate-halides containing bulky organic cations.","Dalton transactions (Cambridge, England : 2003)","2026","55","16","6441","6452","10.1039/d6dt00207b","","x-ray","0.71073","MoKα","K-L~3~","0.0971","0.0459","","","0.0712","0.0856","","","","","","1.005","","","","has coordinates,has disorder","306399","2026-06-05","19:04:40",""
"7720855","5.9664","0.0003","9.2609","0.0004","11.1509","0.0005","87.173","0.002","83.075","0.002","79.658","0.001","601.46","0.05","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C6 H12 Cd Cl N3 S2 -","- C6 H12 Cd Cl N3 S2 -","- C12 H24 Cd2 Cl2 N6 S4 -","2","1","","Milder, Alexander; Woodward, Patrick M.","Structural design principles for hybrid cadmium thiocyanate-halides containing bulky organic cations.","Dalton transactions (Cambridge, England : 2003)","2026","55","16","6441","6452","10.1039/d6dt00207b","","x-ray","0.71073","MoKα","K-L~3~","0.0309","0.0232","","","0.0438","0.0475","","","","","","1.137","","","","has coordinates","306399","2026-06-05","19:04:40",""
"7720856","5.9082","0.0004","10.2084","0.0008","11.4671","0.0008","113.822","0.002","99.67","0.002","90.293","0.002","621.66","0.08","298","","298","","","","","","","","","6","P -1","-P 1","2","","","","- C7 H12 Cd Cl N3 S2 -","- C7 H12 Cd Cl N3 S2 -","- C14 H24 Cd2 Cl2 N6 S4 -","2","1","","Milder, Alexander; Woodward, Patrick M.","Structural design principles for hybrid cadmium thiocyanate-halides containing bulky organic cations.","Dalton transactions (Cambridge, England : 2003)","2026","55","16","6441","6452","10.1039/d6dt00207b","","x-ray","0.71073","MoKα","K-L~3~","0.0626","0.0377","","","0.0663","0.0743","","","","","","1.025","","","","has coordinates","306399","2026-06-05","19:04:40",""
"7720857","22.1","0.002","7.8037","0.0007","11.0731","0.0008","90","","94.037","0.005","90","","1904.9","0.3","298","","298","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H16 Br2 Cd N4 S2 -","- C14 H16 Br2 Cd N4 S2 -","- C56 H64 Br8 Cd4 N16 S8 -","4","0.5","","Milder, Alexander; Woodward, Patrick M.","Structural design principles for hybrid cadmium thiocyanate-halides containing bulky organic cations.","Dalton transactions (Cambridge, England : 2003)","2026","55","16","6441","6452","10.1039/d6dt00207b","","x-ray","0.71073","MoKα","K-L~3~","0.0252","0.0192","","","0.0451","0.0482","","","","","","1.047","","","","has coordinates","306399","2026-06-05","19:04:40",""
"7720858","12.7917","0.0017","5.8894","0.0007","21.896","0.003","90","","101.592","0.004","90","","1615.9","0.4","298","","298","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 Cd3 Cl2 N8 S6 -","- C20 H20 Cd3 Cl2 N8 S6 -","- C40 H40 Cd6 Cl4 N16 S12 -","2","0.5","","Milder, Alexander; Woodward, Patrick M.","Structural design principles for hybrid cadmium thiocyanate-halides containing bulky organic cations.","Dalton transactions (Cambridge, England : 2003)","2026","55","16","6441","6452","10.1039/d6dt00207b","","x-ray","0.71073","MoKα","K-L~3~","0.0431","0.0296","","","0.0702","0.0772","","","","","","1.067","","","","has coordinates","306399","2026-06-05","19:04:40",""
"7720859","22.4221","0.0005","16.1769","0.0004","16.3909","0.0004","90","","90","","90","","5945.3","0.2","100","2","100","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C50 H46 Cl Cr Fe2 N20 O21 -","- C50 H46 Cl Cr Fe2 N20 O21 -","- C200 H184 Cl4 Cr4 Fe8 N80 O84 -","4","1","","Dutta, Mousumi; Dutta, Ajana; Chakraborty, Pradip","Hydration-driven structural reorganization and switchable thermal-photoinduced spin-state dynamics in iron(II) spin-crossover crystalline solids.","Dalton transactions (Cambridge, England : 2003)","2026","55","18","7318","7328","10.1039/d6dt00384b","","","0.71073","MoKα","","0.0338","0.0298","","","0.0723","0.0744","","","","","","1.029","","","","has coordinates","306422","2026-06-05","19:07:54",""
"7720860","22.526","0.003","16.3717","0.0018","16.557","0.0018","90","","90","","90","","6106","1.2","296","2","296","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C50 H46 Cl Cr Fe2 N20 O21 -","- C50 H46 Cl Cr Fe2 N20 O21 -","- C200 H184 Cl4 Cr4 Fe8 N80 O84 -","4","1","","Dutta, Mousumi; Dutta, Ajana; Chakraborty, Pradip","Hydration-driven structural reorganization and switchable thermal-photoinduced spin-state dynamics in iron(II) spin-crossover crystalline solids.","Dalton transactions (Cambridge, England : 2003)","2026","55","18","7318","7328","10.1039/d6dt00384b","","","0.71073","MoKα","","0.0611","0.0488","","","0.1132","0.1201","","","","","","1.042","","","","has coordinates,has disorder","306422","2026-06-05","19:07:54",""
"7720861","13.3935","0.0005","18.8575","0.0006","22.5482","0.0008","100.844","0.001","102.897","0.001","98.879","0.001","5336.3","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C110 H81 N10 O24 P6 Zn8 -","- C110 H81 N10 O24.238 P6 Zn8 -","- C220 H162 N20 O48.476 P12 Zn16 -","2","1","","Jian, Jia-Yi; Wei, Pi-Chen; Chang, Kai-Chi; Hsu, Chun-Ru; Lu, Ching-Ping; Wang, Chih-Min","Nanoscale layer-separated zincophosphate framework enabled by dual-mode aromatic pillar engineering for selective luminescent dye detection.","Dalton transactions (Cambridge, England : 2003)","2026","55","16","6503","6509","10.1039/d6dt00476h","","","0.71073","MoKα","","0.0824","0.0681","","","0.1852","0.2002","","","","","","1.007","","","","has coordinates","305805","2026-05-05","09:12:41",""
"7720862","9.2021","0.0002","10.0945","0.0003","20.3227","0.0003","83.711","0.002","86.881","0.002","80.193","0.002","1847.77","0.07","100","2","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C33 H38 Cl2 Ga4 O8 -","- C33 H38 Cl2 Ga4 O8 -","- C66 H76 Cl4 Ga8 O16 -","2","1","","Solka, Maksymilian; Terlecki, Michał; Justyniak, Iwona; Ziemkowska, Wanda; Prochowicz, Daniel; Lewiński, Janusz","Structural diversity of dimethylgallium naphthalene-2,3-dicarboxylate/pyridine systems.","Dalton transactions (Cambridge, England : 2003)","2026","55","19","7709","7717","10.1039/d6dt00374e","","","0.71073","MoKα","","0.0379","0.0339","","","0.093","0.0982","","","","","","1.06","","","","has coordinates","306391","2026-06-05","18:58:22",""
"7720863","18.8661","0.0003","13.2599","0.0002","21.6552","0.0002","90","","94.237","0.001","90","","5402.52","0.13","100","0.1","100","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C56 H56 Ga4 N4 O8 -","- C56 H56 Ga4 N4 O8 -","- C224 H224 Ga16 N16 O32 -","4","0.5","","Solka, Maksymilian; Terlecki, Michał; Justyniak, Iwona; Ziemkowska, Wanda; Prochowicz, Daniel; Lewiński, Janusz","Structural diversity of dimethylgallium naphthalene-2,3-dicarboxylate/pyridine systems.","Dalton transactions (Cambridge, England : 2003)","2026","55","19","7709","7717","10.1039/d6dt00374e","","x-ray","0.71073","MoKα","","0.0434","0.0337","","","0.0878","0.0925","","","","","","1.109","","","","has coordinates","306391","2026-06-05","18:58:22",""
"7720864","10.5847","0.0003","18.5066","0.0003","13.8257","0.0003","90","","100.876","0.002","90","","2659.63","0.11","100","2","100.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H60 Ga4 N4 O8 -","- C56 H60 Ga4 N4 O8 -","- C112 H120 Ga8 N8 O16 -","2","0.5","","Solka, Maksymilian; Terlecki, Michał; Justyniak, Iwona; Ziemkowska, Wanda; Prochowicz, Daniel; Lewiński, Janusz","Structural diversity of dimethylgallium naphthalene-2,3-dicarboxylate/pyridine systems.","Dalton transactions (Cambridge, England : 2003)","2026","55","19","7709","7717","10.1039/d6dt00374e","","","0.71073","MoKα","","0.041","0.0359","","","0.0996","0.1041","","","","","","1.044","","","","has coordinates","306391","2026-06-05","18:58:22",""
"7720865","10.2423","0.0018","12.817","0.003","15.306","0.003","102.112","0.019","107.393","0.018","101.202","0.017","1802.2","0.7","100.01","0.11","100.01","0.11","","","","","","","","6","P -1","-P 1","2","","","","- C57 H56 Cl10 Ga4 N4 O8 -","- C57 H56 Cl10 Ga4 N4 O8 -","- C57 H56 Cl10 Ga4 N4 O8 -","1","0.5","","Solka, Maksymilian; Terlecki, Michał; Justyniak, Iwona; Ziemkowska, Wanda; Prochowicz, Daniel; Lewiński, Janusz","Structural diversity of dimethylgallium naphthalene-2,3-dicarboxylate/pyridine systems.","Dalton transactions (Cambridge, England : 2003)","2026","55","19","7709","7717","10.1039/d6dt00374e","","x-ray","1.54184","CuKα","","0.232","0.1792","","","0.4417","0.4768","","","","","","1.491","","","","has coordinates","306391","2026-06-05","18:58:22",""
"7720866","9.474","0.0004","11.13","0.0005","14.05","0.0006","83.38","0.002","75.285","0.002","78.768","0.002","1402.09","0.11","100","2","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H32 Ga2 N2 O4 -","- C28 H32 Ga2 N2 O4 -","- C56 H64 Ga4 N4 O8 -","2","1","","Solka, Maksymilian; Terlecki, Michał; Justyniak, Iwona; Ziemkowska, Wanda; Prochowicz, Daniel; Lewiński, Janusz","Structural diversity of dimethylgallium naphthalene-2,3-dicarboxylate/pyridine systems.","Dalton transactions (Cambridge, England : 2003)","2026","55","19","7709","7717","10.1039/d6dt00374e","","","0.71073","MoKα","","0.1224","0.0774","","","0.1445","0.1633","","","","","","1.097","","","","has coordinates","306391","2026-06-05","18:58:22",""
"7720867","14.003","0.0004","20.4774","0.0007","26.4863","0.001","83.921","0.003","75.537","0.003","71.123","0.003","6956","0.4","100","0.1","100","0.1","","","","","","","","6","P 1","P 1","1","","","","- C274 H334 Al8 Ga8 N16 O24 -","- C274 H334 Al8 Ga8 N16 O24 -","- C274 H334 Al8 Ga8 N16 O24 -","1","1","","Solka, Maksymilian; Terlecki, Michał; Justyniak, Iwona; Ziemkowska, Wanda; Prochowicz, Daniel; Lewiński, Janusz","Structural diversity of dimethylgallium naphthalene-2,3-dicarboxylate/pyridine systems.","Dalton transactions (Cambridge, England : 2003)","2026","55","19","7709","7717","10.1039/d6dt00374e","","x-ray","1.54184","CuKα","","0.1173","0.0961","","","0.2596","0.2798","","","","","","1.103","","","","has coordinates","306391","2026-06-05","18:58:22",""
"7720868","12.1804","0.0001","12.5717","0.0001","14.1305","0.0001","98.262","0.001","95.213","0.001","109.931","0.001","1990.19","0.03","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H64 Br2 N O8 Ru2 -","- C32 H64 Br2 N O8 Ru2 -","- C64 H128 Br4 N2 O16 Ru4 -","2","1","","Grenda, Sabrina; Yairi, Haruki; Fujimoto, Torao; Fabelo, Oscar; Kibalin, Iurii; Claiser, Nicolas; Maurice, Rémi; Gukasov, Arsen; Canadillas-Delgado, Laura; Rodriguez Velamazan, José A; Jacquot, Jean-François; Mitsuhashi, Ryoji; Mikuriya, Masahiro; Handa, Makoto; Luneau, Dominique","Electron and spin density distributions and magnetic anisotropy in mixed-valent diruthenium(V) tetracarboxylates assessed <i>via</i> crystallographic and theoretical analyses.","Dalton transactions (Cambridge, England : 2003)","2026","55","18","7173","7183","10.1039/d6dt00342g","","","0.71073","MoKα","","0.0455","0.0287","","","0.0624","0.0665","","","","","","1.058","","","","has coordinates,has disorder","306425","2026-06-05","19:08:17",""
"7720869","12.1649","0.0018","12.5424","0.0019","14.114","0.002","98.537","0.016","95.07","0.014","109.36","0.01","1987.2","0.5","2","","2","","","","","","","","","6","P -1","-P 1","2","","","","- C32 H64 Br2 N O8 Ru2 -","- C32 H64.0016 Br2 N O8 Ru2 -","- C64 H128.003 Br4 N2 O16 Ru4 -","2","1","","Grenda, Sabrina; Yairi, Haruki; Fujimoto, Torao; Fabelo, Oscar; Kibalin, Iurii; Claiser, Nicolas; Maurice, Rémi; Gukasov, Arsen; Canadillas-Delgado, Laura; Rodriguez Velamazan, José A; Jacquot, Jean-François; Mitsuhashi, Ryoji; Mikuriya, Masahiro; Handa, Makoto; Luneau, Dominique","Electron and spin density distributions and magnetic anisotropy in mixed-valent diruthenium(V) tetracarboxylates assessed <i>via</i> crystallographic and theoretical analyses.","Dalton transactions (Cambridge, England : 2003)","2026","55","18","7173","7183","10.1039/d6dt00342g","","neutron","0.95","neutron","","0.1174","0.0847","","","0.1188","0.1245","","","","3.2483","3.2483","3.0625","","","","has coordinates","306425","2026-06-05","19:08:17",""
"7720870","17.1574","0.0005","17.1574","0.0005","19.4626","0.0008","90","","90","","90","","5729.3","0.3","100","","100","","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C104 H72 Ag4 Cu4 N16 S8 -","- C104 H72 Ag4 Cu4 N16 S8 -","- C208 H144 Ag8 Cu8 N32 S16 -","2","0.25","","Ou, Jiafan; Nong, Yan; Zhang, Zhixun; Yang, Hualing; Yu, Xianyong; Yang, Huayan","A chiral heterometallic Ag<sub>4</sub>Cu<sub>4</sub> nanocluster: environment-sensitive phosphorescence and efficient electrocatalytic nitrate reduction to ammonia.","Dalton transactions (Cambridge, England : 2003)","2026","55","17","6682","6686","10.1039/d6dt00633g","","","1.54178","CuKα","","0.0582","0.0437","","","0.0994","0.1061","","","","","","1.0283","","","","has coordinates","306388","2026-06-05","18:56:46",""
"7720871","11.1623","0.0007","12.416","0.0007","12.6227","0.0008","89.742","0.005","65.308","0.006","67.666","0.006","1445.24","0.19","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H30 Cl2 La N4 O13 Ru -","- C16 H30 Cl2 La N4 O13 Ru -","- C32 H60 Cl4 La2 N8 O26 Ru2 -","2","1","","Mesa, Federico; Pacheco, Carolina; González-Platas, Javier; Cruz, Carlos; Paredes-García, Verónica; Veiga, Nicolás; Martínez, Lorena; Chiozzone, Raúl","Spin dynamics in Ru<sup>III</sup>-oxalate complexes: synthesis, characterization, and a<i>b initio</i> insights.","Dalton transactions (Cambridge, England : 2003)","2026","55","15","5902","5907","10.1039/d6dt00473c","","x-ray","0.71073","MoKα","","0.0385","0.0317","","","0.067","0.0705","","","","","","1.0345","","","","has coordinates,has disorder","305826","2026-05-05","09:18:29",""
"7720872","10.6127","0.0002","14.5103","0.0003","18.1012","0.0003","90","","90","","90","","2787.47","0.09","298","2","298","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C16 H28 Cl2 Dy N4 O12 Ru -","- C16 H28 Cl2 Dy N4 O12 Ru -","- C64 H112 Cl8 Dy4 N16 O48 Ru4 -","4","1","","Mesa, Federico; Pacheco, Carolina; González-Platas, Javier; Cruz, Carlos; Paredes-García, Verónica; Veiga, Nicolás; Martínez, Lorena; Chiozzone, Raúl","Spin dynamics in Ru<sup>III</sup>-oxalate complexes: synthesis, characterization, and a<i>b initio</i> insights.","Dalton transactions (Cambridge, England : 2003)","2026","55","15","5902","5907","10.1039/d6dt00473c","","x-ray","0.71073","MoKα","","0.0418","0.0325","","","0.0594","0.0634","","","","","","1.0397","","","","has coordinates,has disorder","305826","2026-05-05","09:18:29",""
"7720873","9.7876","0.0003","14.6019","0.0005","19.0198","0.0005","84.823","0.002","75.818","0.002","84.852","0.003","2618.22","0.14","298","0.5","298","0.5","","","","","","","","6","P -1","-P 1","2","","","","- C52 H51 Cl2 O13 P2 Ru -","- C52 H51 Cl2 O13 P2 Ru -","- C104 H102 Cl4 O26 P4 Ru2 -","2","1","","Mesa, Federico; Pacheco, Carolina; González-Platas, Javier; Cruz, Carlos; Paredes-García, Verónica; Veiga, Nicolás; Martínez, Lorena; Chiozzone, Raúl","Spin dynamics in Ru<sup>III</sup>-oxalate complexes: synthesis, characterization, and a<i>b initio</i> insights.","Dalton transactions (Cambridge, England : 2003)","2026","55","15","5902","5907","10.1039/d6dt00473c","","x-ray","1.54184","CuKα","","0.0392","0.0329","","","0.0856","0.0921","","","","","","1.029","","","","has coordinates","305826","2026-05-05","09:18:29",""
"7720874","17.0074","0.0007","17.0074","0.0007","17.4421","0.0009","90","","90","","90","","5045.2","0.4","170","","170","","","","","","","","","7","P 43 21 2","P 4nw 2abw","96","","","","- C48 H27.2 Cd Cl Mn N4 O9.6 -","- C48 H24 Cd Cl Mn N4 O8 -","- C192 H96 Cd4 Cl4 Mn4 N16 O32 -","4","0.5","","Liu, Xudong; Shen, Kesheng; Jia, Ruiming; Jing, Xu; Duan, Chunying","A novel cadmium-containing porphyrin-based metal-organic framework enables oxidation of inert C(sp<sup>3</sup>)-H bonds.","Dalton transactions (Cambridge, England : 2003)","2026","55","18","7149","7155","10.1039/d6dt00587j","","","1.34139","GaKα","","0.0837","0.0764","","","0.2352","0.2448","","","","","","1.085","","","","has coordinates","306417","2026-06-05","19:07:15",""
"7720875","17.011","0.0006","17.011","0.0006","17.3513","0.0009","90","","90","","90","","5021","0.4","170","","170","","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C100 H60 Cd2 Fe2 N8 O20 -","- C100 H60 Cd2 Fe2 N8 O20 -","- C200 H120 Cd4 Fe4 N16 O40 -","2","0.25","","Liu, Xudong; Shen, Kesheng; Jia, Ruiming; Jing, Xu; Duan, Chunying","A novel cadmium-containing porphyrin-based metal-organic framework enables oxidation of inert C(sp<sup>3</sup>)-H bonds.","Dalton transactions (Cambridge, England : 2003)","2026","55","18","7149","7155","10.1039/d6dt00587j","","","1.34139","GaKα","","0.1131","0.107","","","0.2857","0.2938","","","","","","1.061","","","","has coordinates","306417","2026-06-05","19:07:15",""
"7720876","13.51755","0.00014","13.44658","0.00018","23.7811","0.0003","90","","90","","90","","4322.57","0.09","298","","298","","","","","","","","","4","I m m a","-I 2b 2","74","","","","- I40 Li6 Nb16 O10 -","- I40 Li6 Nb16 O10 -","- I80 Li12 Nb32 O20 -","2","0.125","","Beitlberger, Jan; Schmidt, Patrick; Meyer, H-Jürgen","Niobium oxyiodide clusters from heterogeneous solid-state reactions: the example of Li<sub>3</sub>Nb<sub>7</sub>O<sub>5</sub>I<sub>14</sub>(NbI<sub>6</sub>).","Dalton transactions (Cambridge, England : 2003)","2026","55","18","7313","7317","10.1039/d6dt00599c","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","2.734","1.1602","","","","","","","has coordinates","306429","2026-06-05","19:08:42",""
"7720877","9.603","0.002","17.402","0.004","18.407","0.004","90","","104.521","0.009","90","","2977.8","1.1","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N-CH3-Sc","","- C30 H39 N2 Sc Si2 -","- C30 H39 N2 Sc Si2 -","- C120 H156 N8 Sc4 Si8 -","4","1","","Chen, Wentao; Qiu, Feng-Yi; Guo, Keyue; Zhou, Yanhong; Tian, Haoran; Hu, Hongfan; Shi, Xiaochao","Synthesis of rare-earth metal complexes based on quinolinyl-functionalized cyclopenta[<i>b</i>]indoles and their catalytic performance in the polymerization of <i>ortho</i>-methoxystyrene and its derivatives.","Dalton transactions (Cambridge, England : 2003)","2026","55","18","7357","7364","10.1039/d6dt00571c","","","0.71073","MoKα","","0.1522","0.0945","","","0.2265","0.2792","","","","","","0.9671","","","","has coordinates","306416","2026-06-05","19:07:06",""
"7720878","7.7633","0.0002","8.9175","0.0002","16.6894","0.0003","95.925","0.002","97.808","0.002","112.002","0.002","1046.27","0.04","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C12 H10 Co N4 Se2 -","- C12 H10 Co N4 Se2 -","- C36 H30 Co3 N12 Se6 -","3","1.5","","Beyer, Jooris; Böhme, Michael; Rams, Michał; Näther, Christian; Plass, Winfried","Disentangling anisotropy and exchange in Co(NCX)<sub>2</sub> (X = S, Se) chains <i>via</i> THz-EPR spectroscopy.","Dalton transactions (Cambridge, England : 2003)","2026","55","17","6954","6964","10.1039/d6dt00621c","","x-ray","1.54184","CuKα","","0.0339","0.0327","","","0.099","0.0998","","","","","","1.099","","","","has coordinates","306382","2026-06-05","18:55:46",""
"7720879","8.50203","0.00018","8.6022","0.0002","15.5048","0.0003","93.0193","0.0017","96.374","0.0016","114.495","0.002","1019.4","0.04","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C12 H10 Co N4 S2 -","- C12 H10 Co N4 S2 -","- C36 H30 Co3 N12 S6 -","3","1.5","","Beyer, Jooris; Böhme, Michael; Rams, Michał; Näther, Christian; Plass, Winfried","Disentangling anisotropy and exchange in Co(NCX)<sub>2</sub> (X = S, Se) chains <i>via</i> THz-EPR spectroscopy.","Dalton transactions (Cambridge, England : 2003)","2026","55","17","6954","6964","10.1039/d6dt00621c","","x-ray","1.54184","CuKα","","0.038","0.0354","","","0.1092","0.1111","","","","","","1.109","","","","has coordinates","306382","2026-06-05","18:55:46",""
"7720880","9.19418","0.00007","10.1667","0.00006","13.81606","0.00006","92.0104","0.0004","96.2968","0.0005","97.232","0.0005","1271.88","0.014","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C29 H30 N3 O3 Re -","- C29 H30 N3 O3 Re -","- C58 H60 N6 O6 Re2 -","2","1","","Nguyen, Manh Linh; Strunskus, Thomas; Näther, Christian; Krahmer, Jan; Tuczek, Felix","Synthesis of a rhenium(VII) trioxo complex supported by a triphyrin ligand: oxygenation chemistry and deposition on Au(111).","Dalton transactions (Cambridge, England : 2003)","2026","55","17","6944","6953","10.1039/d6dt00370b","","x-ray","1.54184","CuKα","","0.0183","0.0183","","","0.0499","0.0499","","","","","","1.075","","","","has coordinates","306379","2026-06-05","18:55:19",""
"7720881","21.2187","0.0003","11.70587","0.00014","24.6546","0.0003","90","","108.132","0.0014","90","","5819.68","0.14","100","0.1","100","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H30 N3 O3 Re -","- C26 H30 N3 O3 Re -","- C208 H240 N24 O24 Re8 -","8","1","","Nguyen, Manh Linh; Strunskus, Thomas; Näther, Christian; Krahmer, Jan; Tuczek, Felix","Synthesis of a rhenium(VII) trioxo complex supported by a triphyrin ligand: oxygenation chemistry and deposition on Au(111).","Dalton transactions (Cambridge, England : 2003)","2026","55","17","6944","6953","10.1039/d6dt00370b","","x-ray","1.54184","CuKα","","0.0302","0.029","","","0.0716","0.0728","","","","","","1.065","","","","has coordinates","306379","2026-06-05","18:55:19",""
"7720882","14.67065","0.00007","11.75682","0.00006","17.06503","0.0001","90","","101.076","0.0005","90","","2888.56","0.03","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H40 N3 O4 Re -","- C30 H40 N3 O4 Re -","- C120 H160 N12 O16 Re4 -","4","1","","Nguyen, Manh Linh; Strunskus, Thomas; Näther, Christian; Krahmer, Jan; Tuczek, Felix","Synthesis of a rhenium(VII) trioxo complex supported by a triphyrin ligand: oxygenation chemistry and deposition on Au(111).","Dalton transactions (Cambridge, England : 2003)","2026","55","17","6944","6953","10.1039/d6dt00370b","","x-ray","1.54184","CuKα","","0.029","0.0283","","","0.0754","0.0759","","","","","","1.094","","","","has coordinates","306379","2026-06-05","18:55:19",""
"7720883","26.52","0.002","26.52","0.002","14.3074","0.0011","90","","90","","120","","8714.4","1.1","293","2","293","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C14 H26 Cu N6 O6 -","- C14 H26 Cu N6 O6 -","- C252 H468 Cu18 N108 O108 -","18","1","","Sethuraman, Muthuramalingam; Sohtun, Winaki P.; F, Prince Christofer; Velusamy, Marappan; Mayilmurugan, Ramasamy","Catalytic CO<sub>2</sub> fixation into cyclic carbonates by copper(II) complexes of N4 ligands under mild conditions.","Dalton transactions (Cambridge, England : 2003)","2026","55","18","7392","7404","10.1039/d6dt00331a","","","0.71073","MoKα","","0.056","0.0453","","","0.1191","0.1292","","","","","","1.08","","","","has coordinates","306421","2026-06-05","19:07:45",""
"7720884","8.509","0.008","11.488","0.01","23.43","0.02","90","","90","","102.23","0.03","2238","3","273","2","273","2","","","","","","","","5","P 1 1 21/b","-P 2bc","14","","","","- C18 H31 Cu N7 O6 -","- C18 H31 Cu N7 O6 -","- C72 H124 Cu4 N28 O24 -","4","1","","Sethuraman, Muthuramalingam; Sohtun, Winaki P.; F, Prince Christofer; Velusamy, Marappan; Mayilmurugan, Ramasamy","Catalytic CO<sub>2</sub> fixation into cyclic carbonates by copper(II) complexes of N4 ligands under mild conditions.","Dalton transactions (Cambridge, England : 2003)","2026","55","18","7392","7404","10.1039/d6dt00331a","","","0.71073","MoKα","","0.2641","0.0893","","","0.1716","0.2416","","","","","","0.962","","","","has coordinates","306421","2026-06-05","19:07:45",""
"7720885","8.2096","0.0011","21.884","0.002","11.7702","0.0015","90","","105.516","0.013","90","","2037.6","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H27 Cu N7 O6 -","- C13 H27 Cu N7 O6 -","- C52 H108 Cu4 N28 O24 -","4","1","","Sethuraman, Muthuramalingam; Sohtun, Winaki P.; F, Prince Christofer; Velusamy, Marappan; Mayilmurugan, Ramasamy","Catalytic CO<sub>2</sub> fixation into cyclic carbonates by copper(II) complexes of N4 ligands under mild conditions.","Dalton transactions (Cambridge, England : 2003)","2026","55","18","7392","7404","10.1039/d6dt00331a","","","0.71073","MoKα","","0.1013","0.0599","","","0.1193","0.1371","","","","","","1.087","","","","has coordinates","306421","2026-06-05","19:07:45",""
"7720886","15.031","0.0017","15.5373","0.0016","4.0769","0.0004","90","","90","","90","","952.12","0.17","296","2","296","2","","","","","","","","4","P b a m","-P 2 2ab","55","","Pb4Sb4S9Cl2","","- Cl2 Pb4 S9 Sb4 -","- Cl1.9 Pb4 S9.1 Sb4 -","- Cl3.8 Pb8 S18.2 Sb8 -","2","0.25","","Huang, Yen-Han; Chen, Guan-Ruei; Lee, Chi-Shen","Layered mixed-anion chalcohalides Pb<sub>4</sub>Sb<sub>4</sub>Q<sub>9</sub>Cl<sub>2</sub> (Q = S, Se): puckered 2D frameworks, indirect band gaps, and low thermal conductivity.","Dalton transactions (Cambridge, England : 2003)","2026","55","18","7381","7391","10.1039/d6dt00115g","","","0.71073","MoKα","","0.0387","0.0323","","","0.0941","0.1371","","","","","","1.269","","","","has coordinates","306427","2026-06-05","19:08:24",""
"7720887","15.398","0.006","16.093","0.007","4.176","0.0019","90","","90","","90","","1034.8","0.8","296","2","296","2","","","","","","","","4","P b a m","-P 2 2ab","55","","Pb4Sb4Se9Cl2","","- Cl2 Pb4 Sb4 Se9 -","- Cl1.9 Pb4 Sb4 Se9.1 -","- Cl3.8 Pb8 Sb8 Se18.2 -","2","0.25","","Huang, Yen-Han; Chen, Guan-Ruei; Lee, Chi-Shen","Layered mixed-anion chalcohalides Pb<sub>4</sub>Sb<sub>4</sub>Q<sub>9</sub>Cl<sub>2</sub> (Q = S, Se): puckered 2D frameworks, indirect band gaps, and low thermal conductivity.","Dalton transactions (Cambridge, England : 2003)","2026","55","18","7381","7391","10.1039/d6dt00115g","","","0.71073","MoKα","","0.0453","0.0371","","","0.108","0.1144","","","","","","1.182","","","","has coordinates","306427","2026-06-05","19:08:24",""
"7720888","10.40544","0.00016","11.84513","0.00016","34.7565","0.0005","90.436","0.0011","92.2033","0.0012","106.315","0.0013","4107.57","0.11","110","2","110","2","","","","","","","","3","P -1","-P 1","2","","","","- C42 H48 Si6 -","- C42 H48 Si6 -","- C168 H192 Si24 -","4","2","","Coschigano, Marissa G.; Marro, Eric A.; Li, Ruoxi; Gregory, Sydney L.; Gittens, Alexandra F.; Siegler, Maxime A.; Klausen, Rebekka S.","A trifunctional cyclohexasilane for branched poly(cyclosilane)s.","Dalton transactions (Cambridge, England : 2003)","2026","55","18","7127","7134","10.1039/d6dt00742b","","","1.54178","CuKα","","0.0425","0.0376","","","0.1006","0.1062","","","","","","1.04","","","","has coordinates","306419","2026-06-05","19:07:37",""
"7720889","20.9347","0.0004","6.40525","0.00011","23.567","0.0005","90","","114.011","0.002","90","","2886.69","0.11","110","2","110","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H36 Si6 -","- C24 H36 Si6 -","- C96 H144 Si24 -","4","1","","Coschigano, Marissa G.; Marro, Eric A.; Li, Ruoxi; Gregory, Sydney L.; Gittens, Alexandra F.; Siegler, Maxime A.; Klausen, Rebekka S.","A trifunctional cyclohexasilane for branched poly(cyclosilane)s.","Dalton transactions (Cambridge, England : 2003)","2026","55","18","7127","7134","10.1039/d6dt00742b","","","1.54178","CuKα","","0.0342","0.028","","","0.0768","0.0783","","","","","","1.015","","","","has coordinates","306419","2026-06-05","19:07:37",""
"7720890","6.5882","0.0003","7.5176","0.0003","9.0759","0.0004","105.623","0.002","95.191","0.002","95.659","0.002","427.57","0.03","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C14 H12 Mn N10 -","- C14 H12 Mn N10 -","- C14 H12 Mn N10 -","1","0.5","","Dong, Zheting; Chang, Ai; Luo, Chun-Ru; Sun, Xiaohan; Xu, Yuangang; Wang, Pengcheng; Lu, Guo-Ping","Hypergolic metal-organic frameworks and metal coordination complexes constructed by dicyandiamide and imidazole derivatives.","Dalton transactions (Cambridge, England : 2003)","2026","55","17","6976","6985","10.1039/d6dt00163g","","","","","","0.034","","","","","","","","","","","","","","","has coordinates","306385","2026-06-05","18:56:22",""
"7720891","3.5975","0.0003","11.1629","0.001","10.9044","0.0009","90","","90.367","0.007","90","","437.9","0.06","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 Cu3 N18 -","- C12 Cu3 N18 -","- C12 Cu3 N18 -","1","0.25","","Dong, Zheting; Chang, Ai; Luo, Chun-Ru; Sun, Xiaohan; Xu, Yuangang; Wang, Pengcheng; Lu, Guo-Ping","Hypergolic metal-organic frameworks and metal coordination complexes constructed by dicyandiamide and imidazole derivatives.","Dalton transactions (Cambridge, England : 2003)","2026","55","17","6976","6985","10.1039/d6dt00163g","","","","","","0.078","","","","","","","","","","","","","","","has coordinates,has disorder","306385","2026-06-05","18:56:22",""
"7720892","6.5399","0.0004","7.4726","0.0005","9.0978","0.0005","107.159","0.002","95.181","0.002","95.884","0.002","419.17","0.04","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C14 H12 Fe N10 -","- C14 H12 Fe N10 -","- C14 H12 Fe N10 -","1","0.5","","Dong, Zheting; Chang, Ai; Luo, Chun-Ru; Sun, Xiaohan; Xu, Yuangang; Wang, Pengcheng; Lu, Guo-Ping","Hypergolic metal-organic frameworks and metal coordination complexes constructed by dicyandiamide and imidazole derivatives.","Dalton transactions (Cambridge, England : 2003)","2026","55","17","6976","6985","10.1039/d6dt00163g","","","","","","0.039","","","","","","","","","","","","","","","has coordinates,has disorder","306385","2026-06-05","18:56:22",""
"7720893","7.2861","0.0003","16.7265","0.0012","14.2501","0.0008","90","","90","","90","","1736.67","0.17","","","","","","","","","","","","4","C m c e","-C 2ac 2","64","","","","- C14 H12 Co N10 -","- C14 H12 Co N10 -","- C56 H48 Co4 N40 -","4","0.25","","Dong, Zheting; Chang, Ai; Luo, Chun-Ru; Sun, Xiaohan; Xu, Yuangang; Wang, Pengcheng; Lu, Guo-Ping","Hypergolic metal-organic frameworks and metal coordination complexes constructed by dicyandiamide and imidazole derivatives.","Dalton transactions (Cambridge, England : 2003)","2026","55","17","6976","6985","10.1039/d6dt00163g","","","","","","0.032","","","","","","","","","","","","","","","has coordinates,has disorder","306385","2026-06-05","18:56:22",""
"7720894","7.2439","0.0004","16.6922","0.0013","14.1757","0.0009","90","","90","","90","","1714.1","0.2","","","","","","","","","","","","4","C m c e","-C 2ac 2","64","","","","- C14 H12 N10 Ni -","- C14 H12 N10 Ni -","- C56 H48 N40 Ni4 -","4","0.25","","Dong, Zheting; Chang, Ai; Luo, Chun-Ru; Sun, Xiaohan; Xu, Yuangang; Wang, Pengcheng; Lu, Guo-Ping","Hypergolic metal-organic frameworks and metal coordination complexes constructed by dicyandiamide and imidazole derivatives.","Dalton transactions (Cambridge, England : 2003)","2026","55","17","6976","6985","10.1039/d6dt00163g","","","","","","0.055","","","","","","","","","","","","","","","has coordinates,has disorder","306385","2026-06-05","18:56:22",""
"7720895","6.5609","0.0002","7.4437","0.0002","8.8238","0.0003","105.488","0.002","97.142","0.002","95.34","0.002","408.45","0.02","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C14 H12 Cu N10 -","- C14 H12 Cu N10 -","- C14 H12 Cu N10 -","1","0.5","","Dong, Zheting; Chang, Ai; Luo, Chun-Ru; Sun, Xiaohan; Xu, Yuangang; Wang, Pengcheng; Lu, Guo-Ping","Hypergolic metal-organic frameworks and metal coordination complexes constructed by dicyandiamide and imidazole derivatives.","Dalton transactions (Cambridge, England : 2003)","2026","55","17","6976","6985","10.1039/d6dt00163g","","","","","","0.028","","","","","","","","","","","","","","","has coordinates,has disorder","306385","2026-06-05","18:56:22",""
"7720896","7.3096","0.0003","16.6632","0.001","14.2318","0.0008","90","","90","","90","","1733.45","0.16","","","","","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C28 H24 Co Cu N20 -","- C28 H24 Co Cu N20 -","- C56 H48 Co2 Cu2 N40 -","2","0.125","","Dong, Zheting; Chang, Ai; Luo, Chun-Ru; Sun, Xiaohan; Xu, Yuangang; Wang, Pengcheng; Lu, Guo-Ping","Hypergolic metal-organic frameworks and metal coordination complexes constructed by dicyandiamide and imidazole derivatives.","Dalton transactions (Cambridge, England : 2003)","2026","55","17","6976","6985","10.1039/d6dt00163g","","","","","","0.043","","","","","","","","","","","","","","","has coordinates,has disorder","306385","2026-06-05","18:56:22",""
"7720897","7.2939","0.0004","16.6232","0.0012","14.1917","0.001","90","","90","","90","","1720.7","0.2","","","","","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C28 H24 Cu N20 Ni -","- C28 H24 Cu N20 Ni -","- C56 H48 Cu2 N40 Ni2 -","2","0.125","","Dong, Zheting; Chang, Ai; Luo, Chun-Ru; Sun, Xiaohan; Xu, Yuangang; Wang, Pengcheng; Lu, Guo-Ping","Hypergolic metal-organic frameworks and metal coordination complexes constructed by dicyandiamide and imidazole derivatives.","Dalton transactions (Cambridge, England : 2003)","2026","55","17","6976","6985","10.1039/d6dt00163g","","","","","","0.054","","","","","","","","","","","","","","","has coordinates,has disorder","306385","2026-06-05","18:56:22",""
"7720898","7.2748","0.0002","16.7275","0.0006","14.234","0.0006","90","","90","","90","","1732.12","0.11","","","","","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C28 H24 Co N20 Ni -","- C28 H24 Co N20 Ni -","- C56 H48 Co2 N40 Ni2 -","2","0.125","","Dong, Zheting; Chang, Ai; Luo, Chun-Ru; Sun, Xiaohan; Xu, Yuangang; Wang, Pengcheng; Lu, Guo-Ping","Hypergolic metal-organic frameworks and metal coordination complexes constructed by dicyandiamide and imidazole derivatives.","Dalton transactions (Cambridge, England : 2003)","2026","55","17","6976","6985","10.1039/d6dt00163g","","","","","","0.033","","","","","","","","","","","","","","","has coordinates,has disorder","306385","2026-06-05","18:56:22",""
"7720899","7.175","0.003","7.476","0.002","8.999","0.003","65.601","0.011","75.024","0.013","86.834","0.012","423.9","0.3","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C14 H16 Cu N10 -","- C14 H16 Cu N10 -","- C14 H16 Cu N10 -","1","0.5","","Dong, Zheting; Chang, Ai; Luo, Chun-Ru; Sun, Xiaohan; Xu, Yuangang; Wang, Pengcheng; Lu, Guo-Ping","Hypergolic metal-organic frameworks and metal coordination complexes constructed by dicyandiamide and imidazole derivatives.","Dalton transactions (Cambridge, England : 2003)","2026","55","17","6976","6985","10.1039/d6dt00163g","","","","","","0.087","","","","","","","","","","","","","","","has coordinates,has disorder","306385","2026-06-05","18:56:22",""
"7720900","7.5492","0.0013","11.003","0.0018","12.607","0.002","74.437","0.006","76.401","0.006","87.462","0.007","980.3","0.3","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C32 H40 Cu2 N20 -","- C32 H40 Cu2 N20 -","- C32 H40 Cu2 N20 -","1","0.5","","Dong, Zheting; Chang, Ai; Luo, Chun-Ru; Sun, Xiaohan; Xu, Yuangang; Wang, Pengcheng; Lu, Guo-Ping","Hypergolic metal-organic frameworks and metal coordination complexes constructed by dicyandiamide and imidazole derivatives.","Dalton transactions (Cambridge, England : 2003)","2026","55","17","6976","6985","10.1039/d6dt00163g","","","","","","0.072","","","","","","","","","","","","","","","has coordinates,has disorder","306385","2026-06-05","18:56:22",""
"7720901","16.349","0.0006","10.5452","0.0005","17.0274","0.0007","90","","108.943","0.003","90","","2776.6","0.2","","","","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C24 H24 Co N14 -","- C24 H24 Co N14 -","- C96 H96 Co4 N56 -","4","0.5","","Dong, Zheting; Chang, Ai; Luo, Chun-Ru; Sun, Xiaohan; Xu, Yuangang; Wang, Pengcheng; Lu, Guo-Ping","Hypergolic metal-organic frameworks and metal coordination complexes constructed by dicyandiamide and imidazole derivatives.","Dalton transactions (Cambridge, England : 2003)","2026","55","17","6976","6985","10.1039/d6dt00163g","","","","","","0.059","","","","","","","","","","","","","","","has coordinates,has disorder","306385","2026-06-05","18:56:22",""
"7720902","19.242","0.0008","10.5897","0.0004","16.3827","0.0006","90","","123.656","0.001","90","","2778.7","0.19","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H24 N14 Ni -","- C24 H24 N14 Ni -","- C96 H96 N56 Ni4 -","4","0.5","","Dong, Zheting; Chang, Ai; Luo, Chun-Ru; Sun, Xiaohan; Xu, Yuangang; Wang, Pengcheng; Lu, Guo-Ping","Hypergolic metal-organic frameworks and metal coordination complexes constructed by dicyandiamide and imidazole derivatives.","Dalton transactions (Cambridge, England : 2003)","2026","55","17","6976","6985","10.1039/d6dt00163g","","","","","","0.049","","","","","","","","","","","","","","","has coordinates,has disorder","306385","2026-06-05","18:56:22",""
"7720903","17.2838","0.0009","12.185","0.0007","15.7516","0.0011","90","","122.384","0.001","90","","2801.4","0.3","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H24 Cu N14 -","- C24 H24 Cu N14 -","- C96 H96 Cu4 N56 -","4","0.5","","Dong, Zheting; Chang, Ai; Luo, Chun-Ru; Sun, Xiaohan; Xu, Yuangang; Wang, Pengcheng; Lu, Guo-Ping","Hypergolic metal-organic frameworks and metal coordination complexes constructed by dicyandiamide and imidazole derivatives.","Dalton transactions (Cambridge, England : 2003)","2026","55","17","6976","6985","10.1039/d6dt00163g","","","","","","0.06","","","","","","","","","","","","","","","has coordinates,has disorder","306385","2026-06-05","18:56:22",""
"7720904","7.0381","0.0004","16.4906","0.0013","9.6952","0.0006","90","","90","","90","","1125.25","0.13","173","","173","","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Cl4 I K3 Zn -","- Cl4 I K3 Zn -","- Cl16 I4 K12 Zn4 -","4","0.25","","Khalaniya, Roman A.; Lyssenko, Konstantin A.; Shakhmukhametova, Iasmin A.; Shuyev, Nikita; Mironov, Andrei V.; Kulchu, Aleksandr N.; Polevik, Alexey O.; Samarin, Alexander N.; Bogach, Alexey V.; Shevelkov, Andrei V.","Completing the triad: synthesis, structure, and magnetic properties of kagome metals Ti<sub>3</sub>Mn<sub>3</sub>Sn<sub>4</sub>Ga and Hf<sub>3</sub>Mn<sub>3</sub>Sn<sub>4</sub>Ga.","Dalton transactions (Cambridge, England : 2003)","2026","55","20","8008","8015","10.1039/d6dt00557h","","","0.71073","MoKα","","0.0128","0.0121","","","0.0281","0.0283","","","","","","1.093","","","","has coordinates","306410","2026-06-05","19:05:54",""
"7720905","7.1178","0.0005","16.7739","0.0009","9.9227","0.0005","90","","90","","90","","1184.7","0.12","173","","173","","","","","","","","","5","C m c m","-C 2c 2","63","","","","- Cl4 H12 I N3 Zn -","- Cl4 H12 I N3 Zn -","- Cl16 H48 I4 N12 Zn4 -","4","0.25","","Khalaniya, Roman A.; Lyssenko, Konstantin A.; Shakhmukhametova, Iasmin A.; Shuyev, Nikita; Mironov, Andrei V.; Kulchu, Aleksandr N.; Polevik, Alexey O.; Samarin, Alexander N.; Bogach, Alexey V.; Shevelkov, Andrei V.","Completing the triad: synthesis, structure, and magnetic properties of kagome metals Ti<sub>3</sub>Mn<sub>3</sub>Sn<sub>4</sub>Ga and Hf<sub>3</sub>Mn<sub>3</sub>Sn<sub>4</sub>Ga.","Dalton transactions (Cambridge, England : 2003)","2026","55","20","8008","8015","10.1039/d6dt00557h","","","0.71073","MoKα","","0.0203","0.0194","","","0.0561","0.0566","","","","","","1.147","","","","has coordinates,has disorder","306410","2026-06-05","19:05:54",""
"7720906","7.1693","0.0005","16.8387","0.0012","10.0487","0.0007","90","","90","","90","","1213.1","0.15","297","","297","","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Cl4 I Rb3 Zn -","- Cl4 I Rb3 Zn -","- Cl16 I4 Rb12 Zn4 -","4","0.25","","Khalaniya, Roman A.; Lyssenko, Konstantin A.; Shakhmukhametova, Iasmin A.; Shuyev, Nikita; Mironov, Andrei V.; Kulchu, Aleksandr N.; Polevik, Alexey O.; Samarin, Alexander N.; Bogach, Alexey V.; Shevelkov, Andrei V.","Completing the triad: synthesis, structure, and magnetic properties of kagome metals Ti<sub>3</sub>Mn<sub>3</sub>Sn<sub>4</sub>Ga and Hf<sub>3</sub>Mn<sub>3</sub>Sn<sub>4</sub>Ga.","Dalton transactions (Cambridge, England : 2003)","2026","55","20","8008","8015","10.1039/d6dt00557h","","","0.71073","MoKα","","0.0185","0.0178","","","0.0414","0.0419","","","","","","1.097","","","","has coordinates","306410","2026-06-05","19:05:54",""
"7720907","6.4588","0.0004","7.4518","0.0004","10.5548","0.0007","99.093","0.002","91.188","0.003","92.35","0.003","501","0.05","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- Ca H4 N3 O11 Rb -","- Ca H4 N3 O11 Rb -","- Ca2 H8 N6 O22 Rb2 -","2","1","","Elkik, Hussin; Iqbal, Muhammad Mujahid; Munawar, Aqsa; Yang, Zhihua; Zhang, Fangfang; Pan, Shilie","Synthesis and characterization of hydrated alkali metal calcium nitrates ACa(NO<sub>3</sub>)<sub>3</sub>·2H<sub>2</sub>O (A = NH<sub>4</sub>, Rb, Cs) as short ultraviolet birefringent materials.","Dalton transactions (Cambridge, England : 2003)","2026","55","18","7197","7203","10.1039/d6dt00380j","","","0.71073","MoKα","","0.028","0.0263","","","0.0663","0.0674","","","","","","1.045","","","","has coordinates","306420","2026-06-05","19:07:41",""
"7720908","6.4566","0.0014","7.6617","0.0016","10.81","0.002","98.414","0.006","92.822","0.007","92.713","0.007","527.55","0.19","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- Ca Cs H4 N3 O11 -","- Ca Cs H4 N3 O11 -","- Ca2 Cs2 H8 N6 O22 -","2","1","","Elkik, Hussin; Iqbal, Muhammad Mujahid; Munawar, Aqsa; Yang, Zhihua; Zhang, Fangfang; Pan, Shilie","Synthesis and characterization of hydrated alkali metal calcium nitrates ACa(NO<sub>3</sub>)<sub>3</sub>·2H<sub>2</sub>O (A = NH<sub>4</sub>, Rb, Cs) as short ultraviolet birefringent materials.","Dalton transactions (Cambridge, England : 2003)","2026","55","18","7197","7203","10.1039/d6dt00380j","","","0.71073","MoKα","","0.0244","0.0232","","","0.0567","0.0573","","","","","","1.1","","","","has coordinates","306420","2026-06-05","19:07:41",""
"7720909","6.4805","0.0006","7.453","0.0007","10.497","0.001","99.129","0.004","91.341","0.004","91.711","0.004","500.15","0.08","296.15","","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- Ca H8 N4 O11 -","- Ca H8 N4 O11 -","- Ca2 H16 N8 O22 -","2","1","","Elkik, Hussin; Iqbal, Muhammad Mujahid; Munawar, Aqsa; Yang, Zhihua; Zhang, Fangfang; Pan, Shilie","Synthesis and characterization of hydrated alkali metal calcium nitrates ACa(NO<sub>3</sub>)<sub>3</sub>·2H<sub>2</sub>O (A = NH<sub>4</sub>, Rb, Cs) as short ultraviolet birefringent materials.","Dalton transactions (Cambridge, England : 2003)","2026","55","18","7197","7203","10.1039/d6dt00380j","","","0.71073","MoKα","","0.0311","0.0292","","","0.0769","0.0787","","","","","","1.092","","","","has coordinates","306420","2026-06-05","19:07:41",""
"7720910","8.526","0.002","19.324","0.004","17.237","0.004","90","","94.246","0.006","90","","2832.1","1.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 Co O3 S9 -","- C24 H21 Co O3 S9 -","- C96 H84 Co4 O12 S36 -","4","1","","Mishra, Anjali; Yadav, Chote Lal; Yi, Jun; Lisensky, George; Drew, Michael G. B.; Mishra, Gaurav Kumar; Ding, Wendu; Nordlander, Ebbe; Singh, Nanhai; Kumar, Kamlesh","Synthesis, structural characterization, and electrocatalytic hydrogen generation activity of <i>fac</i>-tris(β-oxodithioester-O^S)cobalt(III) complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","20","7955","7969","10.1039/d5dt02726h","","","0.71073","MoKα","","0.0953","0.0665","","","0.1797","0.2003","","","","","","1.094","","","","has coordinates,has disorder","306411","2026-06-05","19:05:59",""
"7720911","9.9778","0.001","30.329","0.003","9.7288","0.0009","90","","98.61","0.003","90","","2910.9","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H24 Co N3 O3 S6 -","- C27 H24 Co N3 O3 S6 -","- C108 H96 Co4 N12 O12 S24 -","4","1","","Mishra, Anjali; Yadav, Chote Lal; Yi, Jun; Lisensky, George; Drew, Michael G. B.; Mishra, Gaurav Kumar; Ding, Wendu; Nordlander, Ebbe; Singh, Nanhai; Kumar, Kamlesh","Synthesis, structural characterization, and electrocatalytic hydrogen generation activity of <i>fac</i>-tris(β-oxodithioester-O^S)cobalt(III) complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","20","7955","7969","10.1039/d5dt02726h","","","0.71073","MoKα","","0.1261","0.0977","","","0.2511","0.2714","","","","","","1.102","","","","has coordinates","306411","2026-06-05","19:05:59",""
"7720912","9.2794","0.0014","10.117","0.0015","16.783","0.003","95.151","0.004","93.888","0.004","110.497","0.004","1461.5","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H27 Co O3 S6 -","- C30 H27 Co O3 S6 -","- C60 H54 Co2 O6 S12 -","2","1","","Mishra, Anjali; Yadav, Chote Lal; Yi, Jun; Lisensky, George; Drew, Michael G. B.; Mishra, Gaurav Kumar; Ding, Wendu; Nordlander, Ebbe; Singh, Nanhai; Kumar, Kamlesh","Synthesis, structural characterization, and electrocatalytic hydrogen generation activity of <i>fac</i>-tris(β-oxodithioester-O^S)cobalt(III) complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","20","7955","7969","10.1039/d5dt02726h","","","0.71073","MoKα","","0.0806","0.053","","","0.123","0.1354","","","","","","1.062","","","","has coordinates","306411","2026-06-05","19:05:59",""
"7720913","19.1538","0.0013","10.075","0.0006","31.2269","0.0019","90","","99.408","0.003","90","","5944.9","0.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H23 Co O7 S6 -","- C24 H23 Co O7 S6 -","- C192 H184 Co8 O56 S48 -","8","1","","Mishra, Anjali; Yadav, Chote Lal; Yi, Jun; Lisensky, George; Drew, Michael G. B.; Mishra, Gaurav Kumar; Ding, Wendu; Nordlander, Ebbe; Singh, Nanhai; Kumar, Kamlesh","Synthesis, structural characterization, and electrocatalytic hydrogen generation activity of <i>fac</i>-tris(β-oxodithioester-O^S)cobalt(III) complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","20","7955","7969","10.1039/d5dt02726h","","","0.71073","MoKα","","0.0544","0.0413","","","0.0937","0.1021","","","","","","1.064","","","","has coordinates","306411","2026-06-05","19:05:59",""
"7720914","9.5821","0.0009","10.7801","0.0011","19.711","0.002","78.277","0.004","84.843","0.004","76.382","0.003","1935.7","0.3","150","2","150","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C43 H49 Cl2 N Si Ti -","- C43 H49 Cl2 N Si Ti -","- C86 H98 Cl4 N2 Si2 Ti2 -","2","1","","Kuchuk, Ekaterina; Giffin, Kaitie A.; Welle, Alexandre; Dauw, Katty Den; Fernandez, Alvaro; Cordier, Marie; Roisnel, Thierry; Carpentier, Jean-Francois; Kirillov, Evgueni","Ph<sub>2</sub>Si-bridged constrained-geometry complexes of hafnium and titanium for copolymerization of ethylene and 1-octene: an experimental and computational comparison.","Dalton transactions (Cambridge, England : 2003)","2026","55","19","7512","7520","10.1039/d6dt00602g","","x-ray","0.71073","MoKα","","0.0397","0.0338","","","0.0804","0.0839","","","","","","1.039","","","","has coordinates,has disorder","306392","2026-06-05","18:58:33",""
"7720915","9.6214","0.001","10.814","0.0011","19.814","0.002","78.369","0.004","85.156","0.004","76.25","0.003","1959.9","0.3","150","2","150","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C43 H49 Cl2 Hf N Si -","- C43 H49 Cl2 Hf N Si -","- C86 H98 Cl4 Hf2 N2 Si2 -","2","1","","Kuchuk, Ekaterina; Giffin, Kaitie A.; Welle, Alexandre; Dauw, Katty Den; Fernandez, Alvaro; Cordier, Marie; Roisnel, Thierry; Carpentier, Jean-Francois; Kirillov, Evgueni","Ph<sub>2</sub>Si-bridged constrained-geometry complexes of hafnium and titanium for copolymerization of ethylene and 1-octene: an experimental and computational comparison.","Dalton transactions (Cambridge, England : 2003)","2026","55","19","7512","7520","10.1039/d6dt00602g","","x-ray","0.71073","MoKα","","0.0237","0.0209","","","0.0453","0.0464","","","","","","1.035","","","","has coordinates,has disorder","306392","2026-06-05","18:58:33",""
"7720916","13.1859","0.0014","20.6732","0.0019","22.013","0.003","90","","104.64","0.004","90","","5805.8","1.1","150","2","150","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H39 Cl2 Hf N Si -","- C27 H39 Cl2 Hf N Si -","- C216 H312 Cl16 Hf8 N8 Si8 -","8","2","","Kuchuk, Ekaterina; Giffin, Kaitie A.; Welle, Alexandre; Dauw, Katty Den; Fernandez, Alvaro; Cordier, Marie; Roisnel, Thierry; Carpentier, Jean-Francois; Kirillov, Evgueni","Ph<sub>2</sub>Si-bridged constrained-geometry complexes of hafnium and titanium for copolymerization of ethylene and 1-octene: an experimental and computational comparison.","Dalton transactions (Cambridge, England : 2003)","2026","55","19","7512","7520","10.1039/d6dt00602g","","x-ray","0.71073","MoKα","","0.0316","0.0252","","","0.048","0.0499","","","","","","1.1","","","","has coordinates","306392","2026-06-05","18:58:33",""
"7720917","33.632","0.007","7.3283","0.0015","7.1442","0.0014","90","","92.08","0.03","90","","1759.6","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[MEDA]2[CuCl4][Cl]2","","","- C6 H24 Cl6 Cu N4 -","- C6 H24 Cl6 Cu N4 -","- C24 H96 Cl24 Cu4 N16 -","4","0.5","","Chen, Ze-Hong; Cai, Hui-Min; Feng, Xiao-Shan; Cai, Li-Xuan; Cheng, Ting-Ting; Zhou, Li-Peng; Sun, Qing-Fu","Diversified lanthanide-directed self-assembly using a tritopic tetradentate acylhydrazone ligand.","Dalton transactions (Cambridge, England : 2003)","2026","55","20","7891","7898","10.1039/d6dt00576d","","","0.71073","MoKα","","0.054","0.047","","","0.1081","0.1117","","","","","","1.062","","","","has coordinates","306406","2026-06-05","19:05:27",""
"7720918","9.9043","","9.9043","","2.8986","","90","","90","","90","","284.339","","","","","","","","","","","","","8","I 4/m","-I 4","87","","Barium Lead Manganese Iron Titanium Aluminium Zinc Oxide (0.32/1.03/6.03/1.35/0.49/0.09/0.04/16)","","- Al0.09 Ba0.32 Fe1.35 Mn6.03 O16 Pb1.03 Ti0.49 Zn0.04 -","- Al8 Ba2 Fe8 Mn8 O16 Pb6 Ti8 Zn8 -","- Al8 Ba2 Fe8 Mn8 O16 Pb6 Ti8 Zn8 -","1","0.0625","","Chen, Ze-Hong; Cai, Hui-Min; Feng, Xiao-Shan; Cai, Li-Xuan; Cheng, Ting-Ting; Zhou, Li-Peng; Sun, Qing-Fu","Diversified lanthanide-directed self-assembly using a tritopic tetradentate acylhydrazone ligand.","Dalton transactions (Cambridge, England : 2003)","2026","55","20","7891","7898","10.1039/d6dt00576d","","","","","","0.026","","","","","","","","","","","","","","","has coordinates","306406","2026-06-05","19:05:27",""
"7720919","8.4488","0.0001","21.1975","0.0003","24.5357","0.0003","65.272","0.001","84.465","0.001","81.582","0.001","3945.22","0.09","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C92 H70 Cl0 F30 La4 N18 O52 S10 -","- C92 H70 F30 La4 N18 O52 S10 -","- C92 H70 F30 La4 N18 O52 S10 -","1","0.5","","Chen, Ze-Hong; Cai, Hui-Min; Feng, Xiao-Shan; Cai, Li-Xuan; Cheng, Ting-Ting; Zhou, Li-Peng; Sun, Qing-Fu","Diversified lanthanide-directed self-assembly using a tritopic tetradentate acylhydrazone ligand.","Dalton transactions (Cambridge, England : 2003)","2026","55","20","7891","7898","10.1039/d6dt00576d","","","0.71073","MoKα","","0.1196","0.1183","","","0.2791","0.2798","","","","","","1.121","","","","has coordinates","306406","2026-06-05","19:05:27",""
"7720920","7.8674","0.0004","22.0685","0.0012","7.5146","0.0004","90","","98.071","0.005","90","","1291.77","0.12","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C9 H9 Br Cd Cl3 N O -","- C9 H9 Br Cd Cl3 N O -","- C36 H36 Br4 Cd4 Cl12 N4 O4 -","4","1","","Shen, Yaoguo; Wang, Xinyi; Wu, Mengqing; Yang, Yiman; Yan, Lingxin","Dual-tuning birefringence in hybrid crystals <i>via</i> Cd/Zn metal center and organic ligand isomerism.","Dalton transactions (Cambridge, England : 2003)","2026","55","17","6687","6692","10.1039/d6dt00452k","","x-ray","0.71073","MoKα","","0.0555","0.0411","","","0.0941","0.1021","","","","","","1.065","","","","has coordinates","306377","2026-06-05","18:55:07",""
"7720921","16.6604","0.0006","8.0767","0.0003","16.8133","0.0007","90","","104.304","0.004","90","","2192.28","0.15","303","","303","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 Br2 Cd Cl4 N2 -","- C18 H14 Br2 Cd Cl4 N2 -","- C72 H56 Br8 Cd4 Cl16 N8 -","4","1","","Shen, Yaoguo; Wang, Xinyi; Wu, Mengqing; Yang, Yiman; Yan, Lingxin","Dual-tuning birefringence in hybrid crystals <i>via</i> Cd/Zn metal center and organic ligand isomerism.","Dalton transactions (Cambridge, England : 2003)","2026","55","17","6687","6692","10.1039/d6dt00452k","","x-ray","0.71073","MoKα","","0.0501","0.0318","","","0.0542","0.0577","","","","","","1.05","","","","has coordinates","306377","2026-06-05","18:55:07",""
"7720922","17.8207","0.0014","9.5169","0.0005","15.2828","0.0013","90","","121.725","0.012","90","","2204.6","0.4","298","","298","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C18 H14 Br2 Cl4 N2 Zn -","- C18 H14 Br2 Cl4 N2 Zn -","- C72 H56 Br8 Cl16 N8 Zn4 -","4","0.5","","Shen, Yaoguo; Wang, Xinyi; Wu, Mengqing; Yang, Yiman; Yan, Lingxin","Dual-tuning birefringence in hybrid crystals <i>via</i> Cd/Zn metal center and organic ligand isomerism.","Dalton transactions (Cambridge, England : 2003)","2026","55","17","6687","6692","10.1039/d6dt00452k","","x-ray","0.71073","MoKα","","0.0453","0.0324","","","0.0755","0.08","","","","","","1.0062","","","","has coordinates","306377","2026-06-05","18:55:07",""
"7720923","13.6394","0.0003","29.7779","0.0007","21.0006","0.0005","90","","92.171","0.002","90","","8523.3","0.3","179.99","0.1","179.99","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H35 Dy I3 N O8 -","- C18 H35 Dy I3 N O8 -","- C216 H420 Dy12 I36 N12 O96 -","12","3","","Gu, Ziyi; Li, Jun; Zhang, Xuan; Li, Yangjuan; Gong, Yu","Synthesis of hydroxo-bridged Dy(III) dimers supported by crown ethers through C-H activation and oxygen-atom transfer of Me<sub>3</sub>NO.","Dalton transactions (Cambridge, England : 2003)","2026","55","21","8201","8207","10.1039/d6dt00818f","","x-ray","0.71073","MoKα","","0.0615","0.0367","","","0.0717","0.0796","","","","","","1.031","","","","has coordinates","306438","2026-06-05","19:10:43",""
"7720924","8.6671","0.0004","20.8623","0.0009","11.8901","0.0005","90","","109.78","0.005","90","","2023.07","0.17","180","0.1","180","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H48 Dy2 I4 N2 O12 -","- C24 H48 Dy2 I4 N2 O12 -","- C48 H96 Dy4 I8 N4 O24 -","2","0.5","","Gu, Ziyi; Li, Jun; Zhang, Xuan; Li, Yangjuan; Gong, Yu","Synthesis of hydroxo-bridged Dy(III) dimers supported by crown ethers through C-H activation and oxygen-atom transfer of Me<sub>3</sub>NO.","Dalton transactions (Cambridge, England : 2003)","2026","55","21","8201","8207","10.1039/d6dt00818f","","x-ray","0.71073","MoKα","","0.0472","0.034","","","0.0876","0.1017","","","","","","1.115","","","","has coordinates","306438","2026-06-05","19:10:43",""
"7720925","19.1481","0.0004","11.1768","0.0002","11.9762","0.0002","90","","90","","90","","2563.08","0.08","180","0.1","180","0.1","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C14 H28 Dy I3 N2 O6 -","- C14 H28 Dy I3 N2 O6 -","- C56 H112 Dy4 I12 N8 O24 -","4","0.5","","Gu, Ziyi; Li, Jun; Zhang, Xuan; Li, Yangjuan; Gong, Yu","Synthesis of hydroxo-bridged Dy(III) dimers supported by crown ethers through C-H activation and oxygen-atom transfer of Me<sub>3</sub>NO.","Dalton transactions (Cambridge, England : 2003)","2026","55","21","8201","8207","10.1039/d6dt00818f","","x-ray","0.71073","MoKα","","0.0186","0.0164","","","0.0374","0.0382","","","","","","1.031","","","","has coordinates","306438","2026-06-05","19:10:43",""
"7720926","16.8869","0.0004","11.4727","0.0003","12.0691","0.0004","90","","90","","90","","2338.25","0.11","179.99","0.1","179.99","0.1","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C14 H26 Dy I3 N2 O5 -","- C14 H26 Dy I3 N2 O5 -","- C56 H104 Dy4 I12 N8 O20 -","4","0.5","","Gu, Ziyi; Li, Jun; Zhang, Xuan; Li, Yangjuan; Gong, Yu","Synthesis of hydroxo-bridged Dy(III) dimers supported by crown ethers through C-H activation and oxygen-atom transfer of Me<sub>3</sub>NO.","Dalton transactions (Cambridge, England : 2003)","2026","55","21","8201","8207","10.1039/d6dt00818f","","x-ray","0.71073","MoKα","","0.0278","0.0242","","","0.0572","0.0587","","","","","","1.074","","","","has coordinates","306438","2026-06-05","19:10:43",""
"7720927","11.2075","0.0003","15.0288","0.0003","12.8568","0.0003","90","","109.465","0.003","90","","2041.77","0.09","180","0.1","180","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H46 Dy2 I4 N4 O10 -","- C24 H46 Dy2 I4 N4 O10 -","- C48 H92 Dy4 I8 N8 O20 -","2","0.5","","Gu, Ziyi; Li, Jun; Zhang, Xuan; Li, Yangjuan; Gong, Yu","Synthesis of hydroxo-bridged Dy(III) dimers supported by crown ethers through C-H activation and oxygen-atom transfer of Me<sub>3</sub>NO.","Dalton transactions (Cambridge, England : 2003)","2026","55","21","8201","8207","10.1039/d6dt00818f","","x-ray","0.71073","MoKα","","0.026","0.0235","","","0.0575","0.0587","","","","","","1.072","","","","has coordinates","306438","2026-06-05","19:10:43",""
"7720928","26.437","0.0007","8.6873","0.0003","30.4259","0.0008","90","","90","","90","","6987.8","0.4","179.99","0.1","179.99","0.1","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C22 H43 Dy I3 N3 O9 -","- C22 H43 Dy I3 N3 O9 -","- C176 H344 Dy8 I24 N24 O72 -","8","2","","Gu, Ziyi; Li, Jun; Zhang, Xuan; Li, Yangjuan; Gong, Yu","Synthesis of hydroxo-bridged Dy(III) dimers supported by crown ethers through C-H activation and oxygen-atom transfer of Me<sub>3</sub>NO.","Dalton transactions (Cambridge, England : 2003)","2026","55","21","8201","8207","10.1039/d6dt00818f","","x-ray","0.71073","MoKα","","0.0447","0.0311","","","0.057","0.0607","","","","","","1.029","","","","has coordinates","306438","2026-06-05","19:10:43",""
"7720929","13.5434","0.0009","15.7745","0.0011","29.268","0.002","90","","90","","90","","6252.8","0.7","295","2","295","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H42 N9 O55 P W12 -","- C27 H41 N9 O55 P W12 -","- C108 H164 N36 O220 P4 W48 -","4","1","","Svensson, Fredric G.; Greijer, Björn H; Guerin, Timothe; Agback, Tatiana; Agback, Peter; Kessler, Vadim G.","Molecular mechanisms behind the potential genotoxicity of metal oxide nanoparticles: nucleoside deglycosylation pathway.","Dalton transactions (Cambridge, England : 2003)","2026","55","21","8161","8172","10.1039/d6dt00402d","","","0.71073","MoKα","","0.0408","0.0379","","","0.0892","0.0901","","","","","","1.148","","","","has coordinates","306430","2026-06-05","19:08:48",""
"7720930","12.9065","0.0017","24.994","0.003","17.585","0.002","90","","95.89","0.006","90","","5642.7","1.2","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H45 N10 O58 Si W12 -","- C10 H12 N10 O57 Si W12 -","- C40 H48 N40 O228 Si4 W48 -","4","1","","Svensson, Fredric G.; Greijer, Björn H; Guerin, Timothe; Agback, Tatiana; Agback, Peter; Kessler, Vadim G.","Molecular mechanisms behind the potential genotoxicity of metal oxide nanoparticles: nucleoside deglycosylation pathway.","Dalton transactions (Cambridge, England : 2003)","2026","55","21","8161","8172","10.1039/d6dt00402d","","","0.71073","MoKα","","0.0443","0.0396","","","0.1079","0.1105","","","","","","1.107","","","","has coordinates","306430","2026-06-05","19:08:48",""
"7720931","19.0192","0.0009","19.0192","0.0009","20.98","0.0014","90","","90","","120","","6572.3","0.6","295","2","295","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C12 H18 N9 O43 P W12 -","- C12 H18 N9 O43 P W12 -","- C72 H108 N54 O258 P6 W72 -","6","0.333333","","Svensson, Fredric G.; Greijer, Björn H; Guerin, Timothe; Agback, Tatiana; Agback, Peter; Kessler, Vadim G.","Molecular mechanisms behind the potential genotoxicity of metal oxide nanoparticles: nucleoside deglycosylation pathway.","Dalton transactions (Cambridge, England : 2003)","2026","55","21","8161","8172","10.1039/d6dt00402d","","","0.71073","MoKα","","0.0284","0.0239","","","0.0625","0.0643","","","","","","1.054","","","","has coordinates","306430","2026-06-05","19:08:48",""
"7720932","12.658","0.004","18.893","0.006","23.363","0.007","90","","105.494","0.006","90","","5384","3","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H22 N15 O45 P W12 -","- C10.0829 N9.6663 O43.2499 P W12 -","- C40.3316 N38.6652 O173 P4 W48 -","4","1","","Svensson, Fredric G.; Greijer, Björn H; Guerin, Timothe; Agback, Tatiana; Agback, Peter; Kessler, Vadim G.","Molecular mechanisms behind the potential genotoxicity of metal oxide nanoparticles: nucleoside deglycosylation pathway.","Dalton transactions (Cambridge, England : 2003)","2026","55","21","8161","8172","10.1039/d6dt00402d","","","0.71073","MoKα","","0.1192","0.0781","","","0.2008","0.2269","","","","","","1.095","","","","has coordinates","306430","2026-06-05","19:08:48",""
"7720933","25.309","0.003","25.309","0.003","15.307","0.002","90","","90","","120","","8491.2","1.8","296","2","296","2","","","","","","","","6","P 3","P 3","143","","","","- C9 H14 N3 O41.33 P0.83 W10 -","- C9 H8.5 N3 O39.5 P0.833333 W10 -","- C54 H51 N18 O237 P5 W60 -","6","2","","Svensson, Fredric G.; Greijer, Björn H; Guerin, Timothe; Agback, Tatiana; Agback, Peter; Kessler, Vadim G.","Molecular mechanisms behind the potential genotoxicity of metal oxide nanoparticles: nucleoside deglycosylation pathway.","Dalton transactions (Cambridge, England : 2003)","2026","55","21","8161","8172","10.1039/d6dt00402d","","","0.71073","MoKα","","0.0754","0.0499","","","0.1183","0.1362","","","","","","1.052","","","","has coordinates","306430","2026-06-05","19:08:48",""
"7720934","13.097","0.005","13.156","0.005","23.538","0.009","94.428","0.015","90.25","0.015","112.309","0.014","3738","3","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C53 H94 N16 O121 Si2 W24 -","- C62 H94 N19 O122 Si2 W24 -","- C62 H94 N19 O122 Si2 W24 -","1","1","","Svensson, Fredric G.; Greijer, Björn H; Guerin, Timothe; Agback, Tatiana; Agback, Peter; Kessler, Vadim G.","Molecular mechanisms behind the potential genotoxicity of metal oxide nanoparticles: nucleoside deglycosylation pathway.","Dalton transactions (Cambridge, England : 2003)","2026","55","21","8161","8172","10.1039/d6dt00402d","","","0.71076","MoKα","","0.0602","0.047","","","0.1005","0.1061","","","","","","1.009","","","","has coordinates,has disorder","306430","2026-06-05","19:08:48",""
"7720935","7.0381","0.0004","16.4906","0.0013","9.6952","0.0006","90","","90","","90","","1125.25","0.13","173","","173","","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Cl4 I K3 Zn -","- Cl4 I K3 Zn -","- Cl16 I4 K12 Zn4 -","4","0.25","","Yang, Bo; Chen, Ziqi; Lu, Zhenjiang; Lu, Juanjuan","Broadband infrared-transparent crystals enabled by heterologous isomorphic substitution.","Dalton transactions (Cambridge, England : 2003)","2026","55","18","7056","7061","10.1039/d6dt00568c","","","0.71073","MoKα","","0.0128","0.0121","","","0.0281","0.0283","","","","","","1.093","","","","has coordinates","306426","2026-06-05","19:08:21",""
"7720936","7.1693","0.0005","16.8387","0.0012","10.0487","0.0007","90","","90","","90","","1213.1","0.15","297","","297","","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Cl4 I Rb3 Zn -","- Cl4 I Rb3 Zn -","- Cl16 I4 Rb12 Zn4 -","4","0.25","","Yang, Bo; Chen, Ziqi; Lu, Zhenjiang; Lu, Juanjuan","Broadband infrared-transparent crystals enabled by heterologous isomorphic substitution.","Dalton transactions (Cambridge, England : 2003)","2026","55","18","7056","7061","10.1039/d6dt00568c","","","0.71073","MoKα","","0.0185","0.0178","","","0.0414","0.0419","","","","","","1.097","","","","has coordinates","306426","2026-06-05","19:08:21",""
"7720937","7.1178","0.0005","16.7739","0.0009","9.9227","0.0005","90","","90","","90","","1184.7","0.12","173","","173","","","","","","","","","5","C m c m","-C 2c 2","63","","","","- Cl4 H12 I N3 Zn -","- Cl4 H12 I N3 Zn -","- Cl16 H48 I4 N12 Zn4 -","4","0.25","","Yang, Bo; Chen, Ziqi; Lu, Zhenjiang; Lu, Juanjuan","Broadband infrared-transparent crystals enabled by heterologous isomorphic substitution.","Dalton transactions (Cambridge, England : 2003)","2026","55","18","7056","7061","10.1039/d6dt00568c","","","0.71073","MoKα","","0.0203","0.0194","","","0.0561","0.0566","","","","","","1.147","","","","has coordinates,has disorder","306426","2026-06-05","19:08:21",""
"7720938","20.1162","0.0004","14.0082","0.0002","16.8283","0.0003","90","","118.353","0.002","90","","4173.21","0.15","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H31 Co2 N4 O8 -","- C42 H31 Co2 N4 O8 -","- C168 H124 Co8 N16 O32 -","4","0.5","","Liao, Chengjie; Liu, Ting; Chang, Hui; Li, Yufeng; Lu, Jin; Zhang, Dexiang; Wen, Tian; Jiang, Zhiqiang","Two-component bimetallic sulfides enhancing OER activity.","Dalton transactions (Cambridge, England : 2003)","2026","55","20","7831","7834","10.1039/d6dt00794e","","","1.54178","CuKα","","0.1644","0.1608","","","0.4234","0.4248","","","","","","1.14","","","","has coordinates,has disorder","306412","2026-06-05","19:06:08",""
"7720939","17.1775","0.0003","10.9182","0.0002","21.2108","0.0004","90","","100.77","0.002","90","","3907.96","0.13","100","2","99.99","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C33 H60 Cr N6 O3 Si3 -","- C33 H60 Cr N6 O3 Si3 -","- C132 H240 Cr4 N24 O12 Si12 -","4","0.5","","Glok, Eduard; Schanbacher, Moritz; Luz, Christian; Radius, Udo","<i>N</i>-heterocyclic silylene complexes of group VI transition metal carbonyls.","Dalton transactions (Cambridge, England : 2003)","2026","55","21","8323","8331","10.1039/d6dt00663a","","","1.54184","CuKα","","0.0447","0.0388","","","0.1023","0.1053","","","","","","1.076","","","","has coordinates","306431","2026-06-05","19:09:05",""
"7720940","12.0795","0.0001","12.3043","0.0001","22.1867","0.0002","73.957","0.001","88.048","0.001","77.922","0.001","3098.03","0.05","100","2","99.99","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C66 H75 Mo N6 O3 Si3 W0 -","- C66 H75 Mo N6 O3 Si3 -","- C132 H150 Mo2 N12 O6 Si6 -","2","1","","Glok, Eduard; Schanbacher, Moritz; Luz, Christian; Radius, Udo","<i>N</i>-heterocyclic silylene complexes of group VI transition metal carbonyls.","Dalton transactions (Cambridge, England : 2003)","2026","55","21","8323","8331","10.1039/d6dt00663a","","","1.54184","CuKα","","0.0259","0.0247","","","0.0643","0.0649","","","","","","1.053","","","","has coordinates","306431","2026-06-05","19:09:05",""
"7720941","16.5398","0.0002","15.1355","0.0002","18.5302","0.0002","90","","91.482","0.001","90","","4637.26","0.1","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H57 Cr N5 O3 Si2 -","- C48 H57 Cr N5 O3 Si2 -","- C192 H228 Cr4 N20 O12 Si8 -","4","0.5","","Glok, Eduard; Schanbacher, Moritz; Luz, Christian; Radius, Udo","<i>N</i>-heterocyclic silylene complexes of group VI transition metal carbonyls.","Dalton transactions (Cambridge, England : 2003)","2026","55","21","8323","8331","10.1039/d6dt00663a","","","1.54184","CuKα","","0.0569","0.0459","","","0.1161","0.1229","","","","","","1.026","","","","has coordinates,has disorder","306431","2026-06-05","19:09:05",""
"7720942","19.8409","0.0003","13.6796","0.0001","16.6891","0.0002","90","","106.279","0.001","90","","4348.08","0.09","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C45 H51 Cr N5 O3 Si2 -","- C45 H51 Cr N5 O3 Si2 -","- C180 H204 Cr4 N20 O12 Si8 -","4","1","","Glok, Eduard; Schanbacher, Moritz; Luz, Christian; Radius, Udo","<i>N</i>-heterocyclic silylene complexes of group VI transition metal carbonyls.","Dalton transactions (Cambridge, England : 2003)","2026","55","21","8323","8331","10.1039/d6dt00663a","","","1.54184","CuKα","","0.0323","0.0313","","","0.0944","0.095","","","","","","1.123","","","","has coordinates","306431","2026-06-05","19:09:05",""
"7720943","10.8368","0.0002","21.0245","0.0003","20.9722","0.0005","90","","91.746","0.002","90","","4776.05","0.16","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H58 Cr N6 O3 Si2 -","- C50 H58 Cr N6 O3 Si2 -","- C200 H232 Cr4 N24 O12 Si8 -","4","1","","Glok, Eduard; Schanbacher, Moritz; Luz, Christian; Radius, Udo","<i>N</i>-heterocyclic silylene complexes of group VI transition metal carbonyls.","Dalton transactions (Cambridge, England : 2003)","2026","55","21","8323","8331","10.1039/d6dt00663a","","","1.54184","CuKα","","0.0839","0.0512","","","0.1187","0.1332","","","","","","1.025","","","","has coordinates","306431","2026-06-05","19:09:05",""
"7720944","17.2683","0.0002","11.1685","0.0001","21.0161","0.0002","90","","98.925","0.001","90","","4004.11","0.07","100","2","99.99","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C33 H60 Mo N6 O3 Si3 -","- C33 H60 Mo N6 O3 Si3 -","- C132 H240 Mo4 N24 O12 Si12 -","4","0.5","","Glok, Eduard; Schanbacher, Moritz; Luz, Christian; Radius, Udo","<i>N</i>-heterocyclic silylene complexes of group VI transition metal carbonyls.","Dalton transactions (Cambridge, England : 2003)","2026","55","21","8323","8331","10.1039/d6dt00663a","","","1.54184","CuKα","","0.0537","0.0522","","","0.1234","0.1239","","","","","","1.237","","","","has coordinates,has disorder","306431","2026-06-05","19:09:05",""
"7720945","8.6766","0.0004","25.1706","0.0008","9.7595","0.0003","90","","91.352","0.003","90","","2130.83","0.14","150","0.1","150.15","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C44 H35 Cl2 N3 Pd -","- C44 H35 Cl2 N3 Pd -","- C88 H70 Cl4 N6 Pd2 -","2","0.5","","Sekar, Gayathri; Sharma, Akrti; Ravikanth, Mangalampalli","Pd(II) complexes of <i>meso</i>-tetraaryl triphyrin(2.1.1)s: synthesis and studies.","Dalton transactions (Cambridge, England : 2003)","2026","55","18","7164","7172","10.1039/d6dt00703a","","","0.71073","MoKα","","0.0905","0.0806","","","0.203","0.212","","","","","","1.0497","","","","has coordinates","306428","2026-06-05","19:08:38",""
"7720946","15.2381","0.0002","20.8779","0.0002","21.5696","0.0003","90","","97.351","0.001","90","","6805.74","0.15","100","0.1","100","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C75.5 H93 P -","- C75.5 H93 P -","- C302 H372 P4 -","4","1","","Wenger, John S.; Rowe, William J.; Mehta, Meera","Activation of N<sub>2</sub>O, CO<sub>2</sub>, and CO at a sterically protected phosphorus center.","Dalton transactions (Cambridge, England : 2003)","2026","55","20","7884","7890","10.1039/d6dt00986g","","x-ray","1.54184","CuKα","","0.0965","0.0775","","","0.2138","0.2275","","","","","","1.018","","","","has coordinates,has disorder","306405","2026-06-05","19:05:20",""
"7720947","27.5212","0.0004","22.4238","0.0003","30.0171","0.0004","90","","117.54","0.002","90","","16425.4","0.5","150","0.1","150","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C90 H126 K N2 O8 P -","- C90 H126 K N2 O8 P -","- C720 H1008 K8 N16 O64 P8 -","8","1","","Wenger, John S.; Rowe, William J.; Mehta, Meera","Activation of N<sub>2</sub>O, CO<sub>2</sub>, and CO at a sterically protected phosphorus center.","Dalton transactions (Cambridge, England : 2003)","2026","55","20","7884","7890","10.1039/d6dt00986g","","x-ray","1.54184","CuKα","","0.0794","0.0664","","","0.1915","0.2076","","","","","","1.035","","","","has coordinates,has disorder","306405","2026-06-05","19:05:20",""
"7720948","14.7892","0.0003","21.836","0.0005","27.0927","0.0005","90","","94.02","0.002","90","","8727.7","0.3","149.9","0.3","149.9","0.3","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C91 H126 K N2 O8 P -","- C91 H126 K N2 O8 P -","- C364 H504 K4 N8 O32 P4 -","4","1","","Wenger, John S.; Rowe, William J.; Mehta, Meera","Activation of N<sub>2</sub>O, CO<sub>2</sub>, and CO at a sterically protected phosphorus center.","Dalton transactions (Cambridge, England : 2003)","2026","55","20","7884","7890","10.1039/d6dt00986g","","x-ray","1.54184","CuKα","","0.0826","0.0655","","","0.1908","0.2083","","","","","","1.023","","","","has coordinates,has disorder","306405","2026-06-05","19:05:20",""
"7720949","13.7547","0.0003","15.446","0.0003","17.925","0.0004","102.078","0.002","91.454","0.002","100.54","0.002","3653.09","0.14","149.97","0.16","149.97","0.16","","","","","","","","4","P -1","-P 1","2","","","","- C73 H89 O P -","- C73 H89 O P -","- C146 H178 O2 P2 -","2","1","","Wenger, John S.; Rowe, William J.; Mehta, Meera","Activation of N<sub>2</sub>O, CO<sub>2</sub>, and CO at a sterically protected phosphorus center.","Dalton transactions (Cambridge, England : 2003)","2026","55","20","7884","7890","10.1039/d6dt00986g","","x-ray","1.54184","CuKα","","0.0996","0.0847","","","0.2353","0.2551","","","","","","1.021","","","","has coordinates,has disorder","306405","2026-06-05","19:05:20",""
"7720950","27.4751","0.0006","22.2366","0.0003","29.9474","0.0005","90","","117.452","0.002","90","","16236.2","0.6","150","0.1","150","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C90 H126 K N2 O6 P -","- C90 H126 K N2 O6 P -","- C720 H1008 K8 N16 O48 P8 -","8","1","","Wenger, John S.; Rowe, William J.; Mehta, Meera","Activation of N<sub>2</sub>O, CO<sub>2</sub>, and CO at a sterically protected phosphorus center.","Dalton transactions (Cambridge, England : 2003)","2026","55","20","7884","7890","10.1039/d6dt00986g","","x-ray","1.54184","CuKα","","0.0909","0.0787","","","0.2339","0.2511","","","","","","1.047","","","","has coordinates,has disorder","306405","2026-06-05","19:05:20",""
"7720951","14.6955","0.0004","26.9442","0.0007","24.5086","0.0006","90","","104.195","0.002","90","","9408.1","0.4","150","","150","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C99.6 H115 B Cu F4 N4 O3.8 -","- C92 H96 B Cu F4 N4 -","- C368 H384 B4 Cu4 F16 N16 -","4","1","","Eggenweiler, Tim H.; Prescimone, Alessandro; Häussinger, Daniel; Wenger, Oliver S.","Photoactive four-coordinate copper(I) complexes based on chelating diimine, diphosphine, and diisocyanide ligands with high excited-state energies.","Dalton transactions (Cambridge, England : 2003)","2026","55","19","7546","7553","10.1039/d6dt00545d","","x-ray","1.34143","GaKα","","0.1416","0.1173","","","0.273","0.2883","","","","","","1.157","","","","has coordinates","306389","2026-06-05","18:57:58",""
"7720952","15.4453","0.0003","17.0861","0.0004","20.7269","0.0005","101.982","0.002","90.252","0.002","111.204","0.002","4969.4","0.2","150","","150","","","","","","","","","9","P -1","-P 1","2","","","","- C91 H86 B Cl18 Cu F4 N2 O P2 -","- C91 H86 B Cl18 Cu F4 N2 O P2 -","- C182 H172 B2 Cl36 Cu2 F8 N4 O2 P4 -","2","1","","Eggenweiler, Tim H.; Prescimone, Alessandro; Häussinger, Daniel; Wenger, Oliver S.","Photoactive four-coordinate copper(I) complexes based on chelating diimine, diphosphine, and diisocyanide ligands with high excited-state energies.","Dalton transactions (Cambridge, England : 2003)","2026","55","19","7546","7553","10.1039/d6dt00545d","","x-ray","1.34143","GaKα","","0.1684","0.1248","","","0.2745","0.2984","","","","","","1.077","","","","has coordinates,has disorder","306389","2026-06-05","18:57:58",""
"7720953","18.339","0.0003","14.3768","0.0002","25.9417","0.0005","90","","101.152","0.001","90","","6710.5","0.2","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C79.2 H82.4 B Cu F4 N4 O0.8 -","- C76 H76 B Cu F4 N4 -","- C304 H304 B4 Cu4 F16 N16 -","4","1","","Eggenweiler, Tim H.; Prescimone, Alessandro; Häussinger, Daniel; Wenger, Oliver S.","Photoactive four-coordinate copper(I) complexes based on chelating diimine, diphosphine, and diisocyanide ligands with high excited-state energies.","Dalton transactions (Cambridge, England : 2003)","2026","55","19","7546","7553","10.1039/d6dt00545d","","x-ray","1.54186","CuKα","","0.147","0.1136","","","0.2356","0.2582","","","","","","1.093","","","","has coordinates,has disorder","306389","2026-06-05","18:57:58",""
"7720954","12.4724","0.0003","24.5962","0.0007","21.6817","0.0005","90","","104.631","0.002","90","","6435.7","0.3","150","","150","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C75 H72 B Cu F4 N2 O2.5 P2 -","- C75 H72 B Cu F4 N2 O2.5 P2 -","- C300 H288 B4 Cu4 F16 N8 O10 P8 -","4","1","","Eggenweiler, Tim H.; Prescimone, Alessandro; Häussinger, Daniel; Wenger, Oliver S.","Photoactive four-coordinate copper(I) complexes based on chelating diimine, diphosphine, and diisocyanide ligands with high excited-state energies.","Dalton transactions (Cambridge, England : 2003)","2026","55","19","7546","7553","10.1039/d6dt00545d","","x-ray","1.54186","CuKα","","0.0737","0.0625","","","0.1728","0.1836","","","","","","1.039","","","","has coordinates,has disorder","306389","2026-06-05","18:57:58",""
"7720955","18.0545","0.0005","20.0248","0.0004","8.56605","0.00019","90","","101.989","0.002","90","","3029.4","0.13","294.4","","294.4","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H26 Br3 Fe N3 O3 -","- C32 H26 Br3 Fe N3 O3 -","- C128 H104 Br12 Fe4 N12 O12 -","4","1","","Saha, Shriya; Gil-Gavilán, Dolores G; Gutmann, Matthias J.; Manna, Debasish; Roy, Souvik; Mitra, Raja","CO<sub>2</sub> photoreduction by 4-ferrocenyl appended bipyridine coordinated Re(I) complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","19","7468","7473","10.1039/d6dt00728g","","x-ray","0.71073","MoKα","","0.1643","0.0583","","","0.1553","0.2195","","","","1.1718","1.1718","1.125","","","","has coordinates","306396","2026-06-05","18:59:27",""
"7720956","12.7797","0.0011","10.8637","0.0008","19.3382","0.0015","90","","99.81","0.003","90","","2645.6","0.4","140","","140","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Re-tricarbonyl complex","","- C29 H20 Br Fe N2 O3 Re -","- C29 H20 Br Fe N2 O3 Re -","- C116 H80 Br4 Fe4 N8 O12 Re4 -","4","1","","Saha, Shriya; Gil-Gavilán, Dolores G; Gutmann, Matthias J.; Manna, Debasish; Roy, Souvik; Mitra, Raja","CO<sub>2</sub> photoreduction by 4-ferrocenyl appended bipyridine coordinated Re(I) complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","19","7468","7473","10.1039/d6dt00728g","","","0.71073","MoKα","","0.0275","0.0228","","","0.0542","0.0579","","","","","","1.0524","","","","has coordinates","306396","2026-06-05","18:59:27",""
"7720957","21.0623","0.0005","7.53961","0.00018","11.3467","0.0003","90","","102.639","0.002","90","","1758.21","0.08","294.4","0.4","294.4","0.4","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 Fe N2 -","- C22 H20 Fe N2 -","- C88 H80 Fe4 N8 -","4","1","","Saha, Shriya; Gil-Gavilán, Dolores G; Gutmann, Matthias J.; Manna, Debasish; Roy, Souvik; Mitra, Raja","CO<sub>2</sub> photoreduction by 4-ferrocenyl appended bipyridine coordinated Re(I) complexes.","Dalton transactions (Cambridge, England : 2003)","2026","55","19","7468","7473","10.1039/d6dt00728g","","x-ray","0.71073","MoKα","","0.0667","0.0338","","","0.1029","0.1191","","","","1.2522","1.2522","1.1051","","","","has coordinates","306396","2026-06-05","18:59:27",""
"7720958","9.3579","0.0002","17.8308","0.0004","14.6057","0.0003","90","","91.351","0.001","90","","2436.41","0.09","120","","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H28 Br Mn N2 O5 -","- C23 H28 Br Mn N2 O5 -","- C92 H112 Br4 Mn4 N8 O20 -","4","1","","Prettyman, Samuel J.; Alqahtani, Saad; Alhalafi, Mona H.; Singh, Kuldip; Solan, Gregory A.","Steric tuning of OH-functionalised <i>N</i>,<i>N</i>-manganese(I) complexes for the transfer hydrogenation of carbonyl compounds.","Dalton transactions (Cambridge, England : 2003)","2026","55","19","7612","7623","10.1039/d6dt00709k","","","1.54178","CuKα","","0.0434","0.0346","","","0.0873","0.0911","","","","","","1.038","","","","has coordinates","306390","2026-06-05","18:58:13",""
"7720959","8.866","0.002","12.571","0.003","15.275","0.003","91.98","0.004","100.619","0.004","94.83","0.004","1665.2","0.6","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H24 N2 O -","- C19 H24 N2 O -","- C76 H96 N8 O4 -","4","2","","Prettyman, Samuel J.; Alqahtani, Saad; Alhalafi, Mona H.; Singh, Kuldip; Solan, Gregory A.","Steric tuning of OH-functionalised <i>N</i>,<i>N</i>-manganese(I) complexes for the transfer hydrogenation of carbonyl compounds.","Dalton transactions (Cambridge, England : 2003)","2026","55","19","7612","7623","10.1039/d6dt00709k","","","0.71073","MoKα","","0.0801","0.0536","","","0.1234","0.1341","","","","","","0.932","","","","has coordinates,has disorder","306390","2026-06-05","18:58:13",""
"7720960","9.7151","0.0018","12.546","0.003","10.899","0.002","90","","116.138","0.006","90","","1192.6","0.4","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H28 Br2 N4 Ni O2 -","- C22 H28 Br2 N4 Ni O2 -","- C44 H56 Br4 N8 Ni2 O4 -","2","0.5","","Saha, Alipe; Maity, Ribhu; Dhara, Gurupada; Brandao, Paula; Pattanayak, Satyajit; Maity, Tithi; Sarkar, Keka; Samanta, Bidhan Chandra","Structurally characterized Ni(II) complex exhibiting potent anti-<i>Candida</i> activity: biomolecular interaction mechanism and <i>in silico</i> ADMET insights.","Dalton transactions (Cambridge, England : 2003)","2026","55","21","8278","8291","10.1039/d6dt00455e","","","0.71073","MoKα","","0.0472","0.0426","","","0.1194","0.1225","","","","","","1.073","","","","has coordinates","306441","2026-06-05","19:11:08",""
"7720961","16.745","0.0004","3.67734","0.00003","6.29678","0.00008","90","","90","","90","","387.737","0.011","298","","298","","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","","","- Br Te4 W2 -","- Br Te4 W2 -","- Br2 Te8 W4 -","2","0.25","","Schmidt, Patrick; Romao, Carl P.; Meyer, Hans-Jürgen","Structural evolution during reversible halogen intercalation into WTe<sub>2</sub>: commensurate-incommensurate WTe2I and multistage WTe<sub>2</sub>Br<sub><i>x</i></sub> (<i>x</i> = 0.5, 1.0 and 1.25).","Dalton transactions (Cambridge, England : 2003)","2026","55","21","8228","8242","10.1039/d6dt00529b","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","2.0282","1.1259","","","","","","","has coordinates","306432","2026-06-05","19:09:16",""
"7720962","12.16939","0.00012","21.87989","0.00017","12.17257","0.00013","90","","117.635","0.0014","90","","2871.38","0.06","150","0.11","150","0.11","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- I12 Te24 W12 -","- I12 Te24 W12 -","- I24 Te48 W24 -","2","0.5","","Schmidt, Patrick; Romao, Carl P.; Meyer, Hans-Jürgen","Structural evolution during reversible halogen intercalation into WTe<sub>2</sub>: commensurate-incommensurate WTe2I and multistage WTe<sub>2</sub>Br<sub><i>x</i></sub> (<i>x</i> = 0.5, 1.0 and 1.25).","Dalton transactions (Cambridge, England : 2003)","2026","55","21","8228","8242","10.1039/d6dt00529b","","x-ray","0.71073","MoKα","","0.0433","0.0424","","","0.0995","0.0999","","","","","","1.022","","","","has coordinates,has disorder","306432","2026-06-05","19:09:16",""
"7720963","6.32004","0.00017","21.806","0.0006","3.47132","0.00015","90","","90.057","0.003","90","","478.4","0.03","150","","150","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- I Te2 W -","- I Te2 W -","- I4 Te8 W4 -","4","1","","Schmidt, Patrick; Romao, Carl P.; Meyer, Hans-Jürgen","Structural evolution during reversible halogen intercalation into WTe<sub>2</sub>: commensurate-incommensurate WTe2I and multistage WTe<sub>2</sub>Br<sub><i>x</i></sub> (<i>x</i> = 0.5, 1.0 and 1.25).","Dalton transactions (Cambridge, England : 2003)","2026","55","21","8228","8242","10.1039/d6dt00529b","","x-ray","0.71073","MoKα","","0.0486","0.0386","","","0.0697","0.0747","","","","1.1499","1.1499","1.1031","","","","has coordinates","306432","2026-06-05","19:09:16",""
"7720964","6.30257","0.00005","21.8792","0.0003","3.47075","0.00003","90","","90.0268","0.0007","90","","478.6","0.009","150","","150","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- I Te2 W -","- I Te2 W -","- I4 Te8 W4 -","4","1","","Schmidt, Patrick; Romao, Carl P.; Meyer, Hans-Jürgen","Structural evolution during reversible halogen intercalation into WTe<sub>2</sub>: commensurate-incommensurate WTe2I and multistage WTe<sub>2</sub>Br<sub><i>x</i></sub> (<i>x</i> = 0.5, 1.0 and 1.25).","Dalton transactions (Cambridge, England : 2003)","2026","55","21","8228","8242","10.1039/d6dt00529b","","x-ray","0.71073","MoKα","","0.0699","0.0683","","","0.1431","0.1437","","","","1.0961","1.0961","1.0801","","","","has coordinates","306432","2026-06-05","19:09:16",""
"7720965","10.6218","0.0004","43.038","0.003","12.6285","0.0009","90","","90","","90","","5773","0.6","150","0.1","150","0.1","","","","","","","","3","I m m 2","I 2 -2","44","","","","- Br30 Te48 W24 -","- Br30 Te48 W24 -","- Br60 Te96 W48 -","2","0.25","","Schmidt, Patrick; Romao, Carl P.; Meyer, Hans-Jürgen","Structural evolution during reversible halogen intercalation into WTe<sub>2</sub>: commensurate-incommensurate WTe2I and multistage WTe<sub>2</sub>Br<sub><i>x</i></sub> (<i>x</i> = 0.5, 1.0 and 1.25).","Dalton transactions (Cambridge, England : 2003)","2026","55","21","8228","8242","10.1039/d6dt00529b","","x-ray","1.54184","CuKα","","0.1526","0.1363","","","0.2842","0.2909","","","","","","1.046","","","","has coordinates","306432","2026-06-05","19:09:16",""
"7720966","9.36076","0.00014","13.91716","0.00019","16.2618","0.0003","90","","106.145","0.0017","90","","2034.96","0.06","173.05","0.1","173.05","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 F3 Mn O2 P -","- C22 H19 F3 Mn O2 P -","- C88 H76 F12 Mn4 O8 P4 -","4","1","","Warsame, Hodan R.; Demetriou, Colleen M.; Crimmin, Mark R.","Selective defluorination of 1,1,1,2-tetrafluoroethane by lithium phosphide reagents.","Dalton transactions (Cambridge, England : 2003)","2026","55","20","7826","7830","10.1039/d6dt00747c","","x-ray","0.71073","MoKα","","0.0418","0.0305","","","0.0695","0.0752","","","","","","1.053","","","","has coordinates","306408","2026-06-05","19:05:48",""
"7720967","12.8168","0.0003","5.494","0.0001","18.519","0.0003","90","","100.921","0.002","90","","1280.41","0.04","173","1","173","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 F3 P -","- C14 H12 F3 P -","- C56 H48 F12 P4 -","4","1","","Warsame, Hodan R.; Demetriou, Colleen M.; Crimmin, Mark R.","Selective defluorination of 1,1,1,2-tetrafluoroethane by lithium phosphide reagents.","Dalton transactions (Cambridge, England : 2003)","2026","55","20","7826","7830","10.1039/d6dt00747c","","x-ray","1.54184","CuKα","","0.0435","0.0381","","","0.0983","0.1042","","","","","","1.045","","","","has coordinates","306408","2026-06-05","19:05:48",""
"7720968","10.552","0.0002","10.552","0.0002","22.3322","0.0004","90","","90","","120","","2153.43","0.07","173.05","0.1","173.05","0.1","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C28 H24 Cl2 F6 P2 Pd -","- C28 H24 Cl2 F6 P2 Pd -","- C84 H72 Cl6 F18 P6 Pd3 -","3","0.5","","Warsame, Hodan R.; Demetriou, Colleen M.; Crimmin, Mark R.","Selective defluorination of 1,1,1,2-tetrafluoroethane by lithium phosphide reagents.","Dalton transactions (Cambridge, England : 2003)","2026","55","20","7826","7830","10.1039/d6dt00747c","","x-ray","1.54184","CuKα","","0.0356","0.0349","","","0.0922","0.0929","","","","","","1.038","","","","has coordinates","306408","2026-06-05","19:05:48",""
"7720969","5.392","0.003","35.07","0.02","8.645","0.006","90","","93.24","0.02","90","","1632.1","1.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 N4 O2 -","- C20 H18 N4 O2 -","- C80 H72 N16 O8 -","4","1","","Huang, Chao; He, Shan-Xian; Li, Rong-Feng; Zhu, Bi-Xue","Noncovalent assembly strategy to significantly enhance the iodine adsorption capacity of a Schiff-base macrocycle.","Dalton transactions (Cambridge, England : 2003)","2026","55","19","7487","7491","10.1039/d6dt00525j","","","0.71073","MoKα","","0.1444","0.078","","","0.1869","0.224","","","","","","1.032","","","","has coordinates","306394","2026-06-05","18:58:42",""
"7720970","29.98","0.04","14.09","0.03","39.28","0.03","90","","90","","90","","16593","4","273.15","","273.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C88 H92 N12 O12 S2 -","- C88 H92 N12 O12 S2 -","- C704 H736 N96 O96 S16 -","8","1","","Huang, Chao; He, Shan-Xian; Li, Rong-Feng; Zhu, Bi-Xue","Noncovalent assembly strategy to significantly enhance the iodine adsorption capacity of a Schiff-base macrocycle.","Dalton transactions (Cambridge, England : 2003)","2026","55","19","7487","7491","10.1039/d6dt00525j","","","0.71073","MoKα","","0.2063","0.1382","","","0.2217","0.245","","","","","","1.12","","","","has coordinates","306394","2026-06-05","18:58:42",""
"7720971","18.7945","0.0007","5.3151","0.0002","16.629","0.0007","90","","106.009","0.001","90","","1596.73","0.11","296","","296","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","CdSeOCl","","- Cd5 Cl2 O12 Se4 -","- Cd5 Cl2 O12 Se4 -","- Cd20 Cl8 O48 Se16 -","4","0.5","","Iqbal, Maqsood; Zhou, Jiazheng; Munawar, Aqsa; Lu, Juanjuan; Li, Junjie","Te-Se replacement induced structural transition and enhanced band gaps in Cd<sub>5</sub>Se<sub>4</sub>O<sub>12</sub>Cl<sub>2</sub> and Cd<sub>5</sub>Se<sub>4</sub>O<sub>12</sub>Br<sub>2</sub>.","Dalton transactions (Cambridge, England : 2003)","2026","55","16","6415","6422","10.1039/d5dt03047a","","","0.71073","MoKα","","0.0205","0.0191","","","0.0418","0.0426","","","","","","1.221","","","","has coordinates,has disorder","305703","2026-05-04","13:06:37",""
"7720972","19.248","0.004","5.3284","0.0012","16.565","0.004","90","","105.066","0.007","90","","1640.5","0.6","296","","296","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","CdSeOBr","","- Br2 Cd5 O12 Se4 -","- Br2 Cd5 O12 Se4 -","- Br8 Cd20 O48 Se16 -","4","0.5","","Iqbal, Maqsood; Zhou, Jiazheng; Munawar, Aqsa; Lu, Juanjuan; Li, Junjie","Te-Se replacement induced structural transition and enhanced band gaps in Cd<sub>5</sub>Se<sub>4</sub>O<sub>12</sub>Cl<sub>2</sub> and Cd<sub>5</sub>Se<sub>4</sub>O<sub>12</sub>Br<sub>2</sub>.","Dalton transactions (Cambridge, England : 2003)","2026","55","16","6415","6422","10.1039/d5dt03047a","","","0.71073","MoKα","","0.0265","0.0251","","","0.0562","0.0569","","","","","","1.214","","","","has coordinates,has disorder","305703","2026-05-04","13:06:37",""
"7720973","19.061","0.0002","22.3098","0.0002","19.3467","0.0002","90","","113.73","0.001","90","","7531.54","0.14","100","0.1","100","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C83 H105 B Dy N5 O2 P2 S2 -","- C83 H105 B Dy N5 O2 P2 S2 -","- C332 H420 B4 Dy4 N20 O8 P8 S8 -","4","1","","Wen, Tao-Xiao; Liu, Jia-Chuan; Chen, Yan-Cong; Du, Shan-Nan; Wu, Si-Guo; Deng, Wei; Liu, Jun-Liang; Tong, Ming-Liang","Strongly axial monodentate carboxylate for dysprosium single-ion magnets.","Dalton transactions (Cambridge, England : 2003)","2026","55","16","6398","6406","10.1039/d6dt00585c","","x-ray","1.54184","CuKα","","0.0441","0.0401","","","0.1024","0.105","","","","","","1.032","","","","has coordinates,has disorder","305704","2026-05-04","13:09:38",""
"7720974","9.7305","0.0001","23.5563","0.0003","23.6344","0.0004","90","","93.14","0.001","90","","5409.22","0.13","100","0.1","100","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","0419copy0409-3","","- C56 H61 Dy N5 O3 P S2 -","- C56 H61 Dy N5 O3 P S2 -","- C224 H244 Dy4 N20 O12 P4 S8 -","4","1","","Wen, Tao-Xiao; Liu, Jia-Chuan; Chen, Yan-Cong; Du, Shan-Nan; Wu, Si-Guo; Deng, Wei; Liu, Jun-Liang; Tong, Ming-Liang","Strongly axial monodentate carboxylate for dysprosium single-ion magnets.","Dalton transactions (Cambridge, England : 2003)","2026","55","16","6398","6406","10.1039/d6dt00585c","","x-ray","1.54184","CuKα","","0.0548","0.0512","","","0.1191","0.1209","","","","","","1.104","","","","has coordinates,has disorder","305704","2026-05-04","13:09:38",""
"7720975","9.8875","0.0001","13.4559","0.0002","16.7263","0.0002","84.46","0.001","88.05","0.001","79.397","0.001","2176.84","0.05","100.01","0.1","100.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C48 H43 Dy N5 O3 P S2 -","- C48 H41 Dy N5 O2 P S2 -","- C96 H82 Dy2 N10 O4 P2 S4 -","2","1","","Wen, Tao-Xiao; Liu, Jia-Chuan; Chen, Yan-Cong; Du, Shan-Nan; Wu, Si-Guo; Deng, Wei; Liu, Jun-Liang; Tong, Ming-Liang","Strongly axial monodentate carboxylate for dysprosium single-ion magnets.","Dalton transactions (Cambridge, England : 2003)","2026","55","16","6398","6406","10.1039/d6dt00585c","","x-ray","1.54184","CuKα","","0.045","0.042","","","0.1143","0.1161","","","","","","1.073","","","","has coordinates","305704","2026-05-04","13:09:38",""
"7720976","11.9413","0.0005","12.4268","0.0005","12.4788","0.0004","76.9542","0.001","88.8155","0.0011","71.1537","0.0011","1704.51","0.11","301","2","301","","","","","","","","","5","P -1","-P 1","2","","","","- C33 H42 Cd N4 O9 -","- C33 H42 Cd N4 O9 -","- C66 H84 Cd2 N8 O18 -","2","1","","Cao, Yun; Zhao, Mengting; Zhang, Yuxuan; Ye, Chunyin; Zhang, Junuo; Wang, Yan","A dual-mode MOF sensor for Al<sup>3+</sup> detection based on ratiometric fluorescence red-shift and portable hydrogel and smartphone-based analysis.","Dalton transactions (Cambridge, England : 2003)","2026","55","16","6572","6586","10.1039/d6dt00554c","","","0.71073","MoKα","","0.0454","0.0395","","","0.0955","0.0987","","","","","","1.049","","","","has coordinates","305705","2026-05-04","13:10:31",""
"7720977","10.5216","0.0003","19.1906","0.0007","16.0936","0.0006","90","","106.371","0.001","90","","3117.81","0.19","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C33 H37 N7 -","- C33 H37 N7 -","- C132 H148 N28 -","4","1","","Balayan, Kajal; Biswas, Arindam; Sharma, Himanshu; Tiwari, Prabhakar; Vanka, Kumar; Gonnade, Rajesh G.; Rath, Arup K.; Sen, Sakya S.","Unveiling the reactivity of N-heterocyclic methylene hydrazines.","Dalton transactions (Cambridge, England : 2003)","2026","55","14","5432","5436","10.1039/d6dt00611f","","","0.71073","MoKα","","0.0604","0.0545","","","0.1421","0.1487","","","","","","1.104","","","","has coordinates","305706","2026-05-04","13:11:28",""
"7720978","14.645","0.0006","11.6884","0.0004","10.872","0.0004","90","","111.154","0.001","90","","1735.62","0.11","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H21 N7 -","- C17 H21 N7 -","- C68 H84 N28 -","4","1","","Balayan, Kajal; Biswas, Arindam; Sharma, Himanshu; Tiwari, Prabhakar; Vanka, Kumar; Gonnade, Rajesh G.; Rath, Arup K.; Sen, Sakya S.","Unveiling the reactivity of N-heterocyclic methylene hydrazines.","Dalton transactions (Cambridge, England : 2003)","2026","55","14","5432","5436","10.1039/d6dt00611f","","","0.71073","MoKα","","0.0585","0.0456","","","0.0999","0.1057","","","","","","1.06","","","","has coordinates","305706","2026-05-04","13:11:28",""
"7720979","10.473","0.005","12.522","0.007","23.783","0.012","90","","97.234","0.015","90","","3094","3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H22 B F15 N4 -","- C30 H22 B F15 N4 -","- C120 H88 B4 F60 N16 -","4","1","","Balayan, Kajal; Biswas, Arindam; Sharma, Himanshu; Tiwari, Prabhakar; Vanka, Kumar; Gonnade, Rajesh G.; Rath, Arup K.; Sen, Sakya S.","Unveiling the reactivity of N-heterocyclic methylene hydrazines.","Dalton transactions (Cambridge, England : 2003)","2026","55","14","5432","5436","10.1039/d6dt00611f","","","0.71073","MoKα","","0.0814","0.0529","","","0.1456","0.1701","","","","","","1.028","","","","has coordinates,has disorder","305706","2026-05-04","13:11:28",""
"7720980","12.5515","0.0012","11.5612","0.0013","21.09","0.002","90","","91.906","0.003","90","","3058.7","0.5","201","2","201","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H47.5 Cl2 N8 O0.75 -","- C24 H47.5 Cl2 N8 O0.75 -","- C96 H190 Cl8 N32 O3 -","4","1","","Balayan, Kajal; Biswas, Arindam; Sharma, Himanshu; Tiwari, Prabhakar; Vanka, Kumar; Gonnade, Rajesh G.; Rath, Arup K.; Sen, Sakya S.","Unveiling the reactivity of N-heterocyclic methylene hydrazines.","Dalton transactions (Cambridge, England : 2003)","2026","55","14","5432","5436","10.1039/d6dt00611f","","","0.71073","MoKα","","0.0796","0.0701","","","0.1901","0.1991","","","","","","1.102","","","","has coordinates","305706","2026-05-04","13:11:28",""
"7720981","7.7343","0.0006","11.0932","0.0008","21.7094","0.0014","90","","90","","90","","1862.6","0.2","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C22 H16 Br2 Fe -","- C22 H16 Br2 Fe -","- C88 H64 Br8 Fe4 -","4","1","","Li, Wenjuan; Li, Yuanping; Shi, Yanting; Xu, Hui; Zhu, Linyun; Chen, Xinyu; Li, Xiaopei; Yan, Jianfeng; Liu, Lantao; Li, Yuanming","One-step synthesis of 1,3- and 1,1'-diarylated ferrocenes toward main-chain metallomacrocycles.","Dalton transactions (Cambridge, England : 2003)","2026","55","14","5443","5447","10.1039/d6dt00371k","","x-ray","0.71073","MoKα","","0.0392","0.0294","","","0.0543","0.0565","","","","","","1.024","","","","has coordinates","305707","2026-05-04","13:12:18",""
"7720982","18.3002","0.0003","19.1527","0.0003","21.2204","0.0004","109.699","0.001","112.891","0.002","92.47","0.001","6319.5","0.2","100.15","","100.15","","","","","","","","","4","P -1","-P 1","2","","","","- C160 H120 Cl4 Fe2 -","- C160 H120 Cl4 Fe2 -","- C320 H240 Cl8 Fe4 -","2","1","","Li, Wenjuan; Li, Yuanping; Shi, Yanting; Xu, Hui; Zhu, Linyun; Chen, Xinyu; Li, Xiaopei; Yan, Jianfeng; Liu, Lantao; Li, Yuanming","One-step synthesis of 1,3- and 1,1'-diarylated ferrocenes toward main-chain metallomacrocycles.","Dalton transactions (Cambridge, England : 2003)","2026","55","14","5443","5447","10.1039/d6dt00371k","","","1.3405","GaKα","","0.0945","0.0697","","","0.1834","0.1965","","","","","","1.042","","","","has coordinates,has disorder","305707","2026-05-04","13:12:18",""
"7720983","14.7157","0.0009","19.3384","0.0014","22.4651","0.0012","90","","90","","90","","6393.1","0.7","302","2","302.15","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C62 H60 Br2 N2 Ni -","- C62 H60 Br2 N2 Ni -","- C248 H240 Br8 N8 Ni4 -","4","0.5","","Hu, Xiaoqiang; Yue, Jingfeng; Zhang, Yuxing; Jian, Zhongbao","Design of hybrid steric α-diimine nickel precatalysts with intramolecular π-π interactions for the synthesis of polyethylene elastomers.","Dalton transactions (Cambridge, England : 2003)","2026","55","15","6182","6190","10.1039/d6dt00369a","","","0.71073","MoKα","","0.1782","0.0623","","","0.1346","0.1748","","","","","","0.975","","","","has coordinates","305708","2026-05-04","13:14:04",""
"7720984","14.7079","0.0006","19.3048","0.0009","22.4475","0.0008","90","","90","","90","","6373.6","0.5","301","2","301.15","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C58 H52 Br2 N2 Ni -","- C58 H52 Br2 N2 Ni -","- C232 H208 Br8 N8 Ni4 -","4","0.5","","Hu, Xiaoqiang; Yue, Jingfeng; Zhang, Yuxing; Jian, Zhongbao","Design of hybrid steric α-diimine nickel precatalysts with intramolecular π-π interactions for the synthesis of polyethylene elastomers.","Dalton transactions (Cambridge, England : 2003)","2026","55","15","6182","6190","10.1039/d6dt00369a","","","0.71073","MoKα","","0.2145","0.1095","","","0.3377","0.3981","","","","","","1.154","","","","has coordinates","305708","2026-05-04","13:14:04",""
"7720985","16.2257","0.001","6.7803","0.0004","12.2028","0.0009","90","","90","","90","","1342.49","0.15","298","","298","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C4 H10 B2 O12 Rb2 -","- C4 H10 B2 O12 Rb2 -","- C16 H40 B8 O48 Rb8 -","4","1","","Li, Haowen; Wang, Xiao; Chai, Hui; Zhang, Fangfang","Design of borate-squarate hybrid crystals with large birefringence by synergistic assembly of planar π-conjugated groups.","Dalton transactions (Cambridge, England : 2003)","2026","55","19","7729","7736","10.1039/d6dt00783j","","","0.71073","MoKα","","0.0396","0.0264","","","0.0468","0.0497","","","","","","0.91","","","","has coordinates","306397","2026-06-05","18:59:57",""
"7720986","16.4512","0.0006","7.0876","0.0002","12.3802","0.0004","90","","90","","90","","1443.53","0.08","298","","298","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C4 H10 B2 Cs2 O12 -","- C4 H10 B2 Cs2 O12 -","- C16 H40 B8 Cs8 O48 -","4","1","","Li, Haowen; Wang, Xiao; Chai, Hui; Zhang, Fangfang","Design of borate-squarate hybrid crystals with large birefringence by synergistic assembly of planar π-conjugated groups.","Dalton transactions (Cambridge, England : 2003)","2026","55","19","7729","7736","10.1039/d6dt00783j","","","0.71073","MoKα","","0.0212","0.017","","","0.035","0.0359","","","","","","1.012","","","","has coordinates","306397","2026-06-05","18:59:57",""
"7720987","11.591","0.002","7.3534","0.0012","8.4758","0.0016","90","","123.365","0.006","90","","603.35","0.19","298","","298","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C2 H3 B O5 Rb -","- C2 H3 B O5 Rb -","- C8 H12 B4 O20 Rb4 -","4","0.5","","Li, Haowen; Wang, Xiao; Chai, Hui; Zhang, Fangfang","Design of borate-squarate hybrid crystals with large birefringence by synergistic assembly of planar π-conjugated groups.","Dalton transactions (Cambridge, England : 2003)","2026","55","19","7729","7736","10.1039/d6dt00783j","","","0.71073","MoKα","","0.0442","0.027","","","0.0508","0.0558","","","","","","1.038","","","","has coordinates","306397","2026-06-05","18:59:57",""
"7720988","4.0114","0.0001","15.0996","0.0006","10","0.0003","90","","93.599","0.003","90","","604.51","0.03","100","0.2","100","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H6 Cl2 Cu I2 N4 -","- C6 H6 Cl2 Cu I2 N4 -","- C12 H12 Cl4 Cu2 I4 N8 -","2","0.5","","Khlifi, Houyem; Wannassi, Jassem; Mhadhbi, Noureddine; Wahbi, Hajir; Erwann, Jeanneau; Ben Hamadi, Naoufel; Guesmi, Ahlem; Khezami, Lotfi; Barhoumi, Houcine; Naïli, Houcine","Structural, optical, and electrochemical properties of a new 1D copper(II) halometalate for highly sensitive dopamine detection.","Dalton transactions (Cambridge, England : 2003)","2026","55","21","8243","8257","10.1039/d6dt00622a","","x-ray","0.71073","MoKα","","0.0352","0.0295","","","0.0575","0.0591","","","","","","1.074","","","","has coordinates","306435","2026-06-05","19:09:37",""
"7720989","15.0495","0.0005","20.9665","0.0007","15.3836","0.0004","90","","90","","90","","4854.1","0.3","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C44 H40.15 Cd4 Cl4 N8 O6 -","- C44 H40.152 Cd4 Cl4 N8 O6 -","- C176 H160.608 Cd16 Cl16 N32 O24 -","4","0.5","","Sooraj, M.; Haritha, B.; Remello, S. N.; Manoj, E.","A novel Cd<sub>4</sub>O<sub>4</sub> cubane cluster-based complex and its bifunctional catalytic activity aiming for artificial photosynthesis.","Dalton transactions (Cambridge, England : 2003)","2026","55","20","7936","7946","10.1039/d6dt00107f","","","0.71073","MoKα","","0.0201","0.0194","","","0.0517","0.0522","","","","","","1.102","","","","has coordinates,has disorder","306404","2026-06-05","19:05:10",""
"7720990","11.081","0.004","15.53","0.005","16.391","0.004","68.9","0.007","80.093","0.008","81.532","0.01","2581.1","1.4","302","","302","","","","","","","","","6","P -1","-P 1","2","","","","- C52 H43 Cl4 N6 Ni2 O9 -","- C52 H43 Cl4 N6 Ni2 O9 -","- C104 H86 Cl8 N12 Ni4 O18 -","2","1","","Liu, Wen-Yang; Li, Hong-Lei; Jia, Jiang-Song; Zhao, Wen-Ming; Sun, Jun","Synthesis, crystal structures and urease inhibition of Ni(II) complexes constructed from Schiff bases with 2,2'-bipyridine as co-ligands.","Dalton transactions (Cambridge, England : 2003)","2026","55","21","8258","8271","10.1039/d6dt00460a","","","0.71073","MoKα","","0.1753","0.0689","","","0.1508","0.2063","","","","","","1.001","","","","has coordinates,has disorder","306437","2026-06-05","19:09:53",""
"7720991","7.0996","0.0008","7.907","0.0009","35.205","0.004","90","","90","","90","","1976.3","0.4","116","2","116","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 Cl2 N Ni O7 -","- C17 H21 Cl2 N Ni O7 -","- C68 H84 Cl8 N4 Ni4 O28 -","4","1","","Liu, Wen-Yang; Li, Hong-Lei; Jia, Jiang-Song; Zhao, Wen-Ming; Sun, Jun","Synthesis, crystal structures and urease inhibition of Ni(II) complexes constructed from Schiff bases with 2,2'-bipyridine as co-ligands.","Dalton transactions (Cambridge, England : 2003)","2026","55","21","8258","8271","10.1039/d6dt00460a","","","0.71073","MoKα","","0.0911","0.0815","","","0.1742","0.1806","","","","","","1.21","","","","has coordinates","306437","2026-06-05","19:09:53",""
"7720992","9.4508","0.0006","11.9832","0.0008","13.251","0.0007","86.307","0.002","81.25","0.002","69.766","0.002","1391.58","0.15","115","","115","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H29 Cl2 N3 Ni O6 -","- C28 H29 Cl2 N3 Ni O6 -","- C56 H58 Cl4 N6 Ni2 O12 -","2","1","","Liu, Wen-Yang; Li, Hong-Lei; Jia, Jiang-Song; Zhao, Wen-Ming; Sun, Jun","Synthesis, crystal structures and urease inhibition of Ni(II) complexes constructed from Schiff bases with 2,2'-bipyridine as co-ligands.","Dalton transactions (Cambridge, England : 2003)","2026","55","21","8258","8271","10.1039/d6dt00460a","","","0.71073","MoKα","","0.06","0.0434","","","0.0815","0.0996","","","","","","1.075","","","","has coordinates","306437","2026-06-05","19:09:53",""
"7720993","14.7171","0.0005","18.385","0.0005","14.784","0.0005","90","","90","","90","","4000.2","0.2","150","0.1","150.15","","","","","","","","","6","P n n 2","P 2 -2n","34","","","","- C16 Cl Cu4 N16 O46 V18 -","- C16 Cl Cu4 N16 O46 V18 -","- C32 Cl2 Cu8 N32 O92 V36 -","2","0.5","","Vosegaard, Emilie; Mamakhel, Aref; Iversen, Bo Brummerstedt","Hybrid organic-inorganic polyoxovanadates with [M(en) n ] (M=Co, Ni, Cu, Zn) displaying (V 4 O 13 ), (V 15 O 36 ) or (V 18 O 42 ) morphologies","Dalton Transactions","2026","","","","","10.1039/D6DT00188B","","","0.71073","MoKα","","0.0715","0.0677","","","0.1807","0.186","","","","","","1.04","","","","has coordinates","305892","2026-05-07","22:58:41",""
"7720994","24.6487","0.001","24.6487","0.001","16.6483","0.0017","90","","90","","90","","10114.8","1.2","100","1","100","1","","","","","","","","6","P 42/n c m :2","-P 4ac 2ac","138","","","","- C24 Cl N24 Ni4 O55.26 V18 -","- C24 Cl N24 Ni4 O55.24 V18 -","- C96 Cl4 N96 Ni16 O220.96 V72 -","4","0.25","","Vosegaard, Emilie; Mamakhel, Aref; Iversen, Bo Brummerstedt","Hybrid organic-inorganic polyoxovanadates with [M(en) n ] (M=Co, Ni, Cu, Zn) displaying (V 4 O 13 ), (V 15 O 36 ) or (V 18 O 42 ) morphologies","Dalton Transactions","2026","","","","","10.1039/D6DT00188B","","","0.71073","MoKα","","0.1496","0.0972","","","0.2369","0.2722","","","","","","1.023","","","","has coordinates","305892","2026-05-07","22:58:41",""
"7720995","22.3104","0.0003","21.9677","0.0003","23.8601","0.0003","90","","90","","90","","11694","0.3","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C14 H71.25 Cl N14 O41.63 V15 Zn2 -","- C14 H71.252 Cl N14 O41.626 V15 Zn2 -","- C112 H570.016 Cl8 N112 O333.008 V120 Zn16 -","8","1","","Vosegaard, Emilie; Mamakhel, Aref; Iversen, Bo Brummerstedt","Hybrid organic-inorganic polyoxovanadates with [M(en) n ] (M=Co, Ni, Cu, Zn) displaying (V 4 O 13 ), (V 15 O 36 ) or (V 18 O 42 ) morphologies","Dalton Transactions","2026","","","","","10.1039/D6DT00188B","","","0.71073","MoKα","","0.0455","0.0389","","","0.1","0.1033","","","","","","1.039","","","","has coordinates,has disorder","305892","2026-05-07","22:58:41",""
"7720996","16.1059","0.0009","15.2451","0.0007","21.8945","0.0011","90","","103.724","0.002","90","","5222.4","0.5","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C53 H49 Cl N4 O P2 Ru -","- C53 H49 Cl N4 O P2 Ru -","- C212 H196 Cl4 N16 O4 P8 Ru4 -","4","1","","Bera, Jitendra K.; Yadav, Sudhir; Chourasia, Vishal; Ranjan, Prabodh; De, Subhabrata; Saptal, Vitthal Bhimrao","Cooperative Ruthenium Catalyst for Deaminative Coupling of Primary Amines to Symmetrical Secondary Amines","Dalton Transactions","2026","","","","","10.1039/D6DT00770H","","x-ray","0.71073","MoKα","","0.1062","0.0575","","","0.1135","0.1283","","","","","","1.032","","","","has coordinates,has disorder","305893","2026-05-07","22:59:01",""
"7720997","10.302","0.0002","14.3537","0.0003","17.0125","0.0004","93.451","0.001","104.76","0.001","109.298","0.001","2267.05","0.09","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C50 H48 Cl2.95 N3 O P2 Ru -","- C50 H48 Cl2.95 N3 O P2 Ru -","- C100 H96 Cl5.9 N6 O2 P4 Ru2 -","2","1","","Bera, Jitendra K.; Yadav, Sudhir; Chourasia, Vishal; Ranjan, Prabodh; De, Subhabrata; Saptal, Vitthal Bhimrao","Cooperative Ruthenium Catalyst for Deaminative Coupling of Primary Amines to Symmetrical Secondary Amines","Dalton Transactions","2026","","","","","10.1039/D6DT00770H","","x-ray","0.71073","MoKα","","0.0347","0.0308","","","0.0768","0.079","","","","","","1.039","","","","has coordinates,has disorder","305893","2026-05-07","22:59:01",""
"7720998","40.571","0.002","11.2694","0.0005","24.0395","0.0011","90","","116.642","0.002","90","","9824.1","0.8","100","2","100.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C56 H53 N4 O2 P2 Ru -","- C56 H53 N4 O2 P2 Ru -","- C448 H424 N32 O16 P16 Ru8 -","8","1","","Bera, Jitendra K.; Yadav, Sudhir; Chourasia, Vishal; Ranjan, Prabodh; De, Subhabrata; Saptal, Vitthal Bhimrao","Cooperative Ruthenium Catalyst for Deaminative Coupling of Primary Amines to Symmetrical Secondary Amines","Dalton Transactions","2026","","","","","10.1039/D6DT00770H","","","0.71073","MoKα","","0.0614","0.0412","","","0.094","0.1016","","","","","","1.029","","","","has coordinates,has disorder","305893","2026-05-07","22:59:01",""
"7720999","13.99","0.002","20.087","0.003","19.489","0.003","90","","102.038","0.003","90","","5356.3","1.4","100","2","100.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C53 H49 Cl3 N4 O P2 Ru -","- C53 H49 Cl3 N4 O P2 Ru -","- C212 H196 Cl12 N16 O4 P8 Ru4 -","4","1","","Bera, Jitendra K.; Yadav, Sudhir; Chourasia, Vishal; Ranjan, Prabodh; De, Subhabrata; Saptal, Vitthal Bhimrao","Cooperative Ruthenium Catalyst for Deaminative Coupling of Primary Amines to Symmetrical Secondary Amines","Dalton Transactions","2026","","","","","10.1039/D6DT00770H","","","0.71073","MoKα","","0.0892","0.0678","","","0.1675","0.1784","","","","","","1.045","","","","has coordinates","305893","2026-05-07","22:59:01",""
"7721000","12.2842","0.0002","12.8919","0.0002","13.3696","0.0002","104.905","0.001","109.655","0.001","95.244","0.001","1889.67","0.05","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H49 B9 P Rh -","- C42 H49 B9 P Rh -","- C84 H98 B18 P2 Rh2 -","2","1","","Vinogradov, Mikhail M.; Nelyubina, Yulia V.; Godovikov, Ivan A.; Godovikova, Maria I.; Kharitonov, Vladimir B.; Podyacheva, Evgeniya S.; Rodionov, Alexey N.","Rhodacarborane complexes with a triphenylphosphonium substituent as efficient catalysts for on-water transfer hydrogenation of carbonyl compounds.","Dalton transactions (Cambridge, England : 2003)","2026","55","21","8332","8342","10.1039/d6dt00999a","","","0.71073","MoKα","","0.0388","0.0313","","","0.0648","0.0686","","","","","","1.01","","","","has coordinates","306439","2026-06-05","19:10:51",""
"7721001","10.5003","0.0002","19.699","0.0003","36.9753","0.0005","90","","92.319","0.001","90","","7641.9","0.2","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H49 B9 P Rh -","- C42 H49 B9 P Rh -","- C336 H392 B72 P8 Rh8 -","8","2","","Vinogradov, Mikhail M.; Nelyubina, Yulia V.; Godovikov, Ivan A.; Godovikova, Maria I.; Kharitonov, Vladimir B.; Podyacheva, Evgeniya S.; Rodionov, Alexey N.","Rhodacarborane complexes with a triphenylphosphonium substituent as efficient catalysts for on-water transfer hydrogenation of carbonyl compounds.","Dalton transactions (Cambridge, England : 2003)","2026","55","21","8332","8342","10.1039/d6dt00999a","","","0.71073","MoKα","","0.0579","0.0385","","","0.0749","0.0823","","","","","","1.027","","","","has coordinates","306439","2026-06-05","19:10:51",""
"7721002","18.6491","0.0003","21.7922","0.0004","22.7209","0.0004","90","","90","","90","","9233.9","0.3","100","","100","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C41 H49 B9 N O2.5 P Rh -","- C39 H44 B9 N O2 P Rh -","- C312 H352 B72 N8 O16 P8 Rh8 -","8","2","","Vinogradov, Mikhail M.; Nelyubina, Yulia V.; Godovikov, Ivan A.; Godovikova, Maria I.; Kharitonov, Vladimir B.; Podyacheva, Evgeniya S.; Rodionov, Alexey N.","Rhodacarborane complexes with a triphenylphosphonium substituent as efficient catalysts for on-water transfer hydrogenation of carbonyl compounds.","Dalton transactions (Cambridge, England : 2003)","2026","55","21","8332","8342","10.1039/d6dt00999a","","","0.71073","MoKα","","0.0305","0.0278","","","0.0683","0.07","","","","","","1.042","","","","has coordinates,has disorder","306439","2026-06-05","19:10:51",""
"7721003","10.3991","0.0007","19.8483","0.0016","17.3803","0.0014","90","","102.656","0.003","90","","3500.2","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H50 B N2 O6 -","- C36 H50 B N2 O6 -","- C144 H200 B4 N8 O24 -","4","1","","Amrutha, P. R.; Kundu, Gargi; Ganesh, Vemuri Lakshmi; Gonnade, Rajesh G.; Gopakumar, Gopinadhanpillai; Sen, Sakya S.","Reactions of saturated NHC·boranes with electron-deficient alkynes and alkenes. Borirane formation, their reactivities, and coupling of tetracyanoethylene.","Dalton transactions (Cambridge, England : 2003)","2026","55","21","8356","8365","10.1039/d6dt00852f","","","0.71073","MoKα","","0.0662","0.0552","","","0.1467","0.154","","","","","","1.12","","","","has coordinates","306440","2026-06-05","19:10:59",""
"7721004","14.5696","0.001","21.641","0.0014","15.577","0.0011","90","","98.076","0.002","90","","4862.7","0.6","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C45.5 H63 Al B Cl4 N3 O4 -","- C45.5 H63 Al B Cl4 N3 O4 -","- C182 H252 Al4 B4 Cl16 N12 O16 -","4","1","","Amrutha, P. R.; Kundu, Gargi; Ganesh, Vemuri Lakshmi; Gonnade, Rajesh G.; Gopakumar, Gopinadhanpillai; Sen, Sakya S.","Reactions of saturated NHC·boranes with electron-deficient alkynes and alkenes. Borirane formation, their reactivities, and coupling of tetracyanoethylene.","Dalton transactions (Cambridge, England : 2003)","2026","55","21","8356","8365","10.1039/d6dt00852f","","","0.71073","MoKα","","0.1781","0.1101","","","0.2199","0.2504","","","","","","1.116","","","","has coordinates,has disorder","306440","2026-06-05","19:10:59",""
"7721005","11.4137","0.0006","22.3005","0.0013","28.7746","0.0017","90","","95.381","0.002","90","","7291.8","0.7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C76 H100 B2 N12 O2 -","- C76 H100 B2 N12 O2 -","- C304 H400 B8 N48 O8 -","4","1","","Amrutha, P. R.; Kundu, Gargi; Ganesh, Vemuri Lakshmi; Gonnade, Rajesh G.; Gopakumar, Gopinadhanpillai; Sen, Sakya S.","Reactions of saturated NHC·boranes with electron-deficient alkynes and alkenes. Borirane formation, their reactivities, and coupling of tetracyanoethylene.","Dalton transactions (Cambridge, England : 2003)","2026","55","21","8356","8365","10.1039/d6dt00852f","","","0.71073","MoKα","","0.125","0.065","","","0.1561","0.206","","","","","","1.101","","","","has coordinates","306440","2026-06-05","19:10:59",""
"7721006","18.2979","0.0008","17.8752","0.0008","19.8239","0.0008","90","","90","","90","","6484","0.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C34 H49 B N2 O4 -","- C34 H49 B N2 O4 -","- C272 H392 B8 N16 O32 -","8","1","","Amrutha, P. R.; Kundu, Gargi; Ganesh, Vemuri Lakshmi; Gonnade, Rajesh G.; Gopakumar, Gopinadhanpillai; Sen, Sakya S.","Reactions of saturated NHC·boranes with electron-deficient alkynes and alkenes. Borirane formation, their reactivities, and coupling of tetracyanoethylene.","Dalton transactions (Cambridge, England : 2003)","2026","55","21","8356","8365","10.1039/d6dt00852f","","","0.71073","MoKα","","0.0584","0.0425","","","0.104","0.1207","","","","","","1.091","","","","has coordinates,has disorder","306440","2026-06-05","19:10:59",""
"7721007","9.2071","0.0006","10.1666","0.0006","32.2381","0.0017","90","","91.399","0.002","90","","3016.7","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H45 B N2 O4 -","- C32 H45 B N2 O4 -","- C128 H180 B4 N8 O16 -","4","1","","Amrutha, P. R.; Kundu, Gargi; Ganesh, Vemuri Lakshmi; Gonnade, Rajesh G.; Gopakumar, Gopinadhanpillai; Sen, Sakya S.","Reactions of saturated NHC·boranes with electron-deficient alkynes and alkenes. Borirane formation, their reactivities, and coupling of tetracyanoethylene.","Dalton transactions (Cambridge, England : 2003)","2026","55","21","8356","8365","10.1039/d6dt00852f","","","0.71073","MoKα","","0.0733","0.0482","","","0.1083","0.1233","","","","","","1.066","","","","has coordinates","306440","2026-06-05","19:10:59",""
"7721008","16.7284","0.0018","9.7573","0.001","18.4994","0.0016","90","","92.683","0.003","90","","3016.2","0.5","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C33 H47 B N2 O4 -","- C33 H47 B N2 O4 -","- C132 H188 B4 N8 O16 -","4","1","","Amrutha, P. R.; Kundu, Gargi; Ganesh, Vemuri Lakshmi; Gonnade, Rajesh G.; Gopakumar, Gopinadhanpillai; Sen, Sakya S.","Reactions of saturated NHC·boranes with electron-deficient alkynes and alkenes. Borirane formation, their reactivities, and coupling of tetracyanoethylene.","Dalton transactions (Cambridge, England : 2003)","2026","55","21","8356","8365","10.1039/d6dt00852f","","","0.71073","MoKα","","0.0492","0.0434","","","0.1119","0.1161","","","","","","1.041","","","","has coordinates","306440","2026-06-05","19:10:59",""
"7721009","20.637","0.0018","10.0008","0.0009","16.7544","0.0013","90","","109.428","0.003","90","","3261","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H48 B Cl N2 O4 -","- C33 H48 B Cl N2 O4 -","- C132 H192 B4 Cl4 N8 O16 -","4","1","","Amrutha, P. R.; Kundu, Gargi; Ganesh, Vemuri Lakshmi; Gonnade, Rajesh G.; Gopakumar, Gopinadhanpillai; Sen, Sakya S.","Reactions of saturated NHC·boranes with electron-deficient alkynes and alkenes. Borirane formation, their reactivities, and coupling of tetracyanoethylene.","Dalton transactions (Cambridge, England : 2003)","2026","55","21","8356","8365","10.1039/d6dt00852f","","","0.71073","MoKα","","0.0496","0.0461","","","0.1267","0.1298","","","","","","1.135","","","","has coordinates","306440","2026-06-05","19:10:59",""
"7721010","13.2296","0.0006","21.9553","0.001","19.6771","0.0009","90","","103.71","0.002","90","","5552.6","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C57.05 H59 B2 F15 N2 O5.55 -","- C57.05 H59 B2 F15 N2 O5.55 -","- C228.2 H236 B8 F60 N8 O22.2 -","4","1","","Amrutha, P. R.; Kundu, Gargi; Ganesh, Vemuri Lakshmi; Gonnade, Rajesh G.; Gopakumar, Gopinadhanpillai; Sen, Sakya S.","Reactions of saturated NHC·boranes with electron-deficient alkynes and alkenes. Borirane formation, their reactivities, and coupling of tetracyanoethylene.","Dalton transactions (Cambridge, England : 2003)","2026","55","21","8356","8365","10.1039/d6dt00852f","","","0.71073","MoKα","","0.0754","0.0706","","","0.1773","0.1806","","","","","","1.158","","","","has coordinates,has disorder","306440","2026-06-05","19:10:59",""
"7721011","10.5876","0.0004","10.5876","0.0004","24.7779","0.0015","90","","90","","120","","2405.42","0.19","298","2","298","2","","","","","","","","4","P -3","-P 3","147","","","","- C19.5 H10.5 Eu1.5 O9.5 -","- C19.5 H10.5 Eu1.5 O9.5 -","- C78 H42 Eu6 O38 -","4","0.666667","","Guo, Shangwei; Yang, Wenxuan; Feng, Shuode; Dou, Jinwen; Lin, Tiying; Zheng, Yining; Jiang, Yaxin; Yang, Junpu; Liu, Wei; Lin, Jian","A europium-based metal-organic framework as a high-performance X-ray scintillator.","Dalton transactions (Cambridge, England : 2003)","2026","55","20","7835","7839","10.1039/d6dt00878j","","","0.71073","MoKα","","0.1106","0.0782","","","0.1993","0.2149","","","","","","1.108","","","","has coordinates","306409","2026-06-05","19:05:51",""
"7721012","14.3155","0.0004","9.8397","0.0003","14.9196","0.0004","90","","101.421","0.001","90","","2059.96","0.1","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H22 Ge O -","- C26 H22 Ge O -","- C104 H88 Ge4 O4 -","4","1","","Varaksina, Evgenia; Ferulev, Alexey I.; Korshunov, Vladislav Mikhailovich; Stankevich, Tatyana S.; Gontcharenko , Victoria E.; Taydakov, Ilya V.","Modulating the energy transfer processes via XPh3 (X=Si, Ge, Sn) substitution in luminescent Eu3+ β-diketonate complexes","Dalton Transactions","2026","","","","","10.1039/D6DT00437G","","x-ray","0.71073","MoKα","","0.0409","0.0303","","","0.07","0.0736","","","","","","1.039","","","","has coordinates","305914","2026-05-09","22:50:34",""
"7721013","14.2169","0.0004","9.7795","0.0003","14.9346","0.0005","90","","101.653","0.001","90","","2033.62","0.11","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H22 O Si -","- C26 H22 O Si -","- C104 H88 O4 Si4 -","4","1","","Varaksina, Evgenia; Ferulev, Alexey I.; Korshunov, Vladislav Mikhailovich; Stankevich, Tatyana S.; Gontcharenko , Victoria E.; Taydakov, Ilya V.","Modulating the energy transfer processes via XPh3 (X=Si, Ge, Sn) substitution in luminescent Eu3+ β-diketonate complexes","Dalton Transactions","2026","","","","","10.1039/D6DT00437G","","","0.71073","MoKα","","0.072","0.0454","","","0.0976","0.1075","","","","","","1.019","","","","has coordinates","305914","2026-05-09","22:50:34",""
"7721014","9.6247","0.0004","36.7515","0.0014","10.8511","0.0005","90","","92.951","0.001","90","","3833.2","0.3","150","2","150.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H26 Eu F9 N2 O6 -","- C42 H26 Eu F9 N2 O6 -","- C168 H104 Eu4 F36 N8 O24 -","4","1","","Varaksina, Evgenia; Ferulev, Alexey I.; Korshunov, Vladislav Mikhailovich; Stankevich, Tatyana S.; Gontcharenko , Victoria E.; Taydakov, Ilya V.","Modulating the energy transfer processes via XPh3 (X=Si, Ge, Sn) substitution in luminescent Eu3+ β-diketonate complexes","Dalton Transactions","2026","","","","","10.1039/D6DT00437G","","","0.71073","MoKα","","0.0671","0.0575","","","0.113","0.1165","","","","","","1.254","","","","has coordinates","305914","2026-05-09","22:50:34",""
"7721015","6.355","0.0006","9.8437","0.0008","17.7058","0.0014","96.598","0.003","94.397","0.003","108.481","0.003","1035.99","0.15","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H22 O Sn -","- C26 H22 O Sn -","- C52 H44 O2 Sn2 -","2","1","","Varaksina, Evgenia; Ferulev, Alexey I.; Korshunov, Vladislav Mikhailovich; Stankevich, Tatyana S.; Gontcharenko , Victoria E.; Taydakov, Ilya V.","Modulating the energy transfer processes via XPh3 (X=Si, Ge, Sn) substitution in luminescent Eu3+ β-diketonate complexes","Dalton Transactions","2026","","","","","10.1039/D6DT00437G","","x-ray","0.71073","MoKα","","0.0458","0.0398","","","0.0806","0.0839","","","","","","1.035","","","","has coordinates","305914","2026-05-09","22:50:34",""
"7721016","14.3321","0.0002","24.464","0.0005","29.155","0.0006","90","","90","","90","","10222.3","0.3","100","","100","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C52 H65 Al F4 K N O7 -","- C52 H65 Al F4 K N O7 -","- C416 H520 Al8 F32 K8 N8 O56 -","8","1","","Dollberg, Kevin; Lochte, Mark; Weiß, Pauline; Nitzsche, Joel; Mészáros, Katalin; von Hänisch, Carsten; Tambornino, Frank","Synthesis of Lewis acid-base adducts between trimesityltrieles and potassium cyanate and its heavier homologues","Dalton Transactions","2026","","","","","10.1039/D6DT00831C","","x-ray","1.54186","CuKα","K-L~2,3~","0.1028","0.0801","","","0.207","0.2228","","","","","","0.978","","","","has coordinates,has disorder","305925","2026-05-11","22:53:49",""
"7721017","11.8816","0.0006","12.6343","0.0006","16.457","0.0008","73.966","0.002","89.996","0.002","85.199","0.002","2365.3","0.2","299","","299","","","","","","","","","7","P -1","-P 1","2","","","","- C46 H69 In K N O7.5 S -","- C46 H69 In K N O7.5 S -","- C92 H138 In2 K2 N2 O15 S2 -","2","1","","Dollberg, Kevin; Lochte, Mark; Weiß, Pauline; Nitzsche, Joel; Mészáros, Katalin; von Hänisch, Carsten; Tambornino, Frank","Synthesis of Lewis acid-base adducts between trimesityltrieles and potassium cyanate and its heavier homologues","Dalton Transactions","2026","","","","","10.1039/D6DT00831C","","","0.71073","MoKα","","0.0788","0.0569","","","0.1379","0.1466","","","","","","1.052","","","","has coordinates,has disorder","305925","2026-05-11","22:53:49",""
"7721018","17.857","0.007","10.099","0.004","17.473","0.005","90","","90","","90","","3151","2","120","2","120","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C28 H40 I Mo N O2 P2 -","- C28 H40 I Mo N O2 P2 -","- C112 H160 I4 Mo4 N4 O8 P8 -","4","1","","Mandal, Souvik; Song, Ethan Y.; Emge, Thomas J.; Hasanayn, Faraj; Goldman, Alan S.","A metal-metal quadruply bonded dimer of two pincer-ligated metal centers.","Dalton transactions (Cambridge, England : 2003)","2026","55","20","7816","7820","10.1039/d6dt00920d","","","0.71073","MoKα","","0.1232","0.0888","","","0.2044","0.2325","","","","","","1.153","","","","has coordinates,has disorder","306407","2026-06-05","19:05:34",""
"7721019","11.3371","0.0008","12.9335","0.001","20.1041","0.0015","80.153","0.002","73.683","0.001","69.574","0.001","2642.5","0.3","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H80 Br2 Mo2 N2 P4 -","- C52 H80 Br2 Mo2 N2 P4 -","- C104 H160 Br4 Mo4 N4 P8 -","2","1","","Mandal, Souvik; Song, Ethan Y.; Emge, Thomas J.; Hasanayn, Faraj; Goldman, Alan S.","A metal-metal quadruply bonded dimer of two pincer-ligated metal centers.","Dalton transactions (Cambridge, England : 2003)","2026","55","20","7816","7820","10.1039/d6dt00920d","","","0.71073","MoKα","","0.0469","0.0357","","","0.083","0.0863","","","","","","1.005","","","","has coordinates","306407","2026-06-05","19:05:34",""
"7721020","11.4244","0.0003","9.587","0.0003","12.5215","0.0003","90","","97.018","0.002","90","","1361.15","0.06","120","2","120","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C26 H40 Br Mo N O P2 -","- C26 H40 Br Mo N O P2 -","- C52 H80 Br2 Mo2 N2 O2 P4 -","2","0.5","","Mandal, Souvik; Song, Ethan Y.; Emge, Thomas J.; Hasanayn, Faraj; Goldman, Alan S.","A metal-metal quadruply bonded dimer of two pincer-ligated metal centers.","Dalton transactions (Cambridge, England : 2003)","2026","55","20","7816","7820","10.1039/d6dt00920d","","","1.54184","CuKα","","0.054","0.0512","","","0.1475","0.1497","","","","","","1.05","","","","has coordinates,has disorder","306407","2026-06-05","19:05:34",""
"7721021","11.4773","0.0005","9.9829","0.0005","12.2032","0.0005","90","","97.277","0.004","90","","1386.94","0.11","100","2","100","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C26 H40 I Mo N O P2 -","- C26 H40 I Mo N O P2 -","- C52 H80 I2 Mo2 N2 O2 P4 -","2","0.5","","Mandal, Souvik; Song, Ethan Y.; Emge, Thomas J.; Hasanayn, Faraj; Goldman, Alan S.","A metal-metal quadruply bonded dimer of two pincer-ligated metal centers.","Dalton transactions (Cambridge, England : 2003)","2026","55","20","7816","7820","10.1039/d6dt00920d","","","1.54184","CuKα","","0.0773","0.074","","","0.2009","0.2029","","","","","","1.189","","","","has coordinates,has disorder","306407","2026-06-05","19:05:34",""
"7721022","42.1527","0.0007","42.1527","0.0007","17.1567","0.0003","90","","90","","120","","26400.7","0.8","150","0.1","150","0.1","","","","","","","","7","R -3 :H","-R 3","148","","","","- C12 H55.33 K8.63 Mo16 N6 O67.95 S16 -","- C12 H55.3332 K8.64 Mo16 N6 O67.9267 S16 -","- C108 H497.999 K77.76 Mo144 N54 O611.34 S144 -","9","0.5","","Liu, Huachao; Tang, Rongqing; Ma, Yubin; Shao, Zhiyu; Xuan, Weimin","Azole-carboxylate-modulated assembly of [Mo<sub>2</sub>O<sub>2</sub>S<sub>2</sub>]<sup>2+</sup> units: structural evolution from {Mo<sub>12</sub>} to {Mo<sub>16</sub>} rings for enhanced proton conductivity.","Dalton transactions (Cambridge, England : 2003)","2026","55","19","7497","7501","10.1039/d6dt00667a","","x-ray","1.54184","CuKα","","0.0925","0.079","","","0.2273","0.2385","","","","","","1.032","","","","has coordinates,has disorder","306393","2026-06-05","18:58:37",""
"7721023","9.6711","0.0004","14.2667","0.0005","16.4303","0.0007","70.022","0.003","73.351","0.004","87.078","0.003","2038.46","0.15","170","0.1","170","0.1","","","","","","","","6","P -1","-P 1","2","","LHCMo12","","- C28 H60 Mo12 N8 O52 S12 -","- C28 H60 Mo12 N8 O52 S12 -","- C28 H60 Mo12 N8 O52 S12 -","1","0.5","","Liu, Huachao; Tang, Rongqing; Ma, Yubin; Shao, Zhiyu; Xuan, Weimin","Azole-carboxylate-modulated assembly of [Mo<sub>2</sub>O<sub>2</sub>S<sub>2</sub>]<sup>2+</sup> units: structural evolution from {Mo<sub>12</sub>} to {Mo<sub>16</sub>} rings for enhanced proton conductivity.","Dalton transactions (Cambridge, England : 2003)","2026","55","19","7497","7501","10.1039/d6dt00667a","","x-ray","1.54184","CuKα","","0.041","0.0398","","","0.1085","0.1093","","","","","","1.082","","","","has coordinates,has disorder","306393","2026-06-05","18:58:37",""
"7721024","10.5973","0.0004","10.5973","0.0004","9.8138","0.0007","90","","90","","120","","954.46","0.09","293","2","293","2","","","","","","","","5","P 63","P 6c","173","","","","- C12 H28 Cl3 Ge N -","- C12 H28 Cl3 Ge N -","- C24 H56 Cl6 Ge2 N2 -","2","0.333333","","Zhou, Jie; Tong, Binyi; Zhong, Zhirong; Duan, An; Ai, Yong; Zhou, Lin; Wei, Zhenhong; Cai, Hu","A novel 0D germanium-based organic-inorganic hybrid material (C<sub>12</sub>H<sub>28</sub>N)GeCl<sub>3</sub> showing reversible phase transition, dielectric anomaly and SHG response.","Dalton transactions (Cambridge, England : 2003)","2026","55","20","7821","7825","10.1039/d6dt00723f","","","0.71073","MoKα","","0.0671","0.0449","","","0.1215","0.1345","","","","","","0.912","","","","has coordinates","306413","2026-06-05","19:06:11",""
"7721025","5.7289","0.0006","5.7289","0.0006","14.1211","0.0018","90","","90","","120","","401.37","0.08","295.15","","295.15","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Ba3NbRu2O9","","- Ba3 Nb O9 Ru2 -","- Ba3 Nb O9 Ru2 -","- Ba6 Nb2 O18 Ru4 -","2","0.0833333","","Peng, Cheng; Xu, Mingyu; Li, Jie; Xie, Weiwei","Beyond layer stacking: molecular Ru<sub>2</sub>O<sub>9</sub> dimer correlations in pressure-synthesized Ba<sub>3</sub>NbRu<sub>2</sub>O<sub>9</sub>.","Dalton transactions (Cambridge, England : 2003)","2026","55","21","8413","8420","10.1039/d6dt00401f","","x-ray","0.71073","MoKα","","0.0887","0.0402","","","0.0659","0.0759","","","","","","1.075","","","","has coordinates","306433","2026-06-05","19:09:19",""
"7721026","13.1937","0.0001","13.1277","0.0002","23.0499","0.0003","90","","90","","90","","3992.31","0.09","100","2","100","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","MB-103","","- C52 H42 N8 O -","- C52 H42 N8 O -","- C208 H168 N32 O4 -","4","0.5","","Belis, Marek; Šrein, Jakub; Bhandary, Subhrajyoti; Premcheska, Simona; Lederer, Mirijam; Pompermayer Machado, Ian; Kaczmarek, Anna Marta; Van Hecke, Kristof","DNA-interacting lanthanide complexes with a DOTA-derived dipyrido[3,2-a;2',3'-c]phenazine ligand for near-infrared luminescence","Dalton Transactions","2026","","","","","10.1039/D6DT00235H","","x-ray","1.54184","CuKα","","0.0383","0.0344","","","0.0851","0.088","","","","","","1.041","","","","has coordinates","305966","2026-05-14","22:59:08",""
"7721027","8.56379","0.00013","16.6043","0.0003","27.997","0.0006","90","","97.5109","0.0017","90","","3946.9","0.13","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H53 Lu N8 O11 -","- C33 H33 Lu N8 O6 -","- C132 H132 Lu4 N32 O24 -","4","1","","Belis, Marek; Šrein, Jakub; Bhandary, Subhrajyoti; Premcheska, Simona; Lederer, Mirijam; Pompermayer Machado, Ian; Kaczmarek, Anna Marta; Van Hecke, Kristof","DNA-interacting lanthanide complexes with a DOTA-derived dipyrido[3,2-a;2',3'-c]phenazine ligand for near-infrared luminescence","Dalton Transactions","2026","","","","","10.1039/D6DT00235H","","x-ray","1.54184","CuKα","","0.0474","0.0328","","","0.073","0.0786","","","","","","0.984","","","","has coordinates,has disorder","305966","2026-05-14","22:59:08",""
"7721028","16.6956","0.0006","16.1043","0.0005","18.3134","0.0006","90","","111.7","0.001","90","","4575","0.3","140","","140","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C34 H55 B9 Cl Dy K N3 O1.5 -","- C34 H55 B9 Cl Dy K N3 O1.5 -","- C136 H220 B36 Cl4 Dy4 K4 N12 O6 -","4","1","","Trifonov, Alexander A.; Félix, Gautier; Balagurova, Elena V.; Larionova, Joulia; Selikhov, Alexander N.; Kallio, Max; Vieru, Veacheslav; Vologzhanina, Anna V.; Guari, Yannick","Tripodal Tris(aryl)alkoxide Ligand in Tuning Single-Molecule Magnetism of Dy³⁺ Complexes","Dalton Transactions","2026","","","","","10.1039/D5DT02861B","","","0.71073","MoKα","","0.0552","0.0359","","","0.086","0.091","","","","","","1.002","","","","has coordinates,has disorder","305967","2026-05-14","22:59:19",""
"7721029","10.0997","0.0002","15.8966","0.0003","20.4614","0.0004","90","","94.589","0.001","90","","3274.56","0.11","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H44 Cl2 Dy N3 O2 -","- C32 H44 Cl2 Dy N3 O2 -","- C128 H176 Cl8 Dy4 N12 O8 -","4","1","","Trifonov, Alexander A.; Félix, Gautier; Balagurova, Elena V.; Larionova, Joulia; Selikhov, Alexander N.; Kallio, Max; Vieru, Veacheslav; Vologzhanina, Anna V.; Guari, Yannick","Tripodal Tris(aryl)alkoxide Ligand in Tuning Single-Molecule Magnetism of Dy³⁺ Complexes","Dalton Transactions","2026","","","","","10.1039/D5DT02861B","","","0.71073","MoKα","","0.0416","0.032","","","0.0781","0.0832","","","","","","1.033","","","","has coordinates","305967","2026-05-14","22:59:19",""
"7721030","15.7542","0.0007","12.9367","0.0006","15.6423","0.0009","90","","100.243","0.005","90","","3137.2","0.3","250","1","250","1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C22.95 H27.8 B2 F8 Fe N16 O0.95 -","- C22.95 H27.8 B2 F8 Fe N16 O0.95 -","- C91.8 H111.2 B8 F32 Fe4 N64 O3.8 -","4","0.5","","Maliuzhenko, Vladyslav; Weselski, Marek; Ksiazek, Maria; Hochdörffer, Tim; Wolny, Juliusz A.; Kusz, Joachim; Bronisz, Robert; Schünemann, Volker","A novel family of heteroleptic 1D chain spin-crossover complexes and its DFT modelling. How the formation of polynuclear chains modifies the ligand-field effects on spin transition","Dalton Transactions","2026","","","","","10.1039/D6DT00320F","","","0.71073","MoKα","","0.0855","0.0641","","","0.169","0.1936","","","","","","1.065","","","","has coordinates,has disorder","305975","2026-05-15","22:56:45",""
"7721031","7.9524","0.0003","8.8207","0.0002","9.9917","0.0003","86.989","0.002","84.475","0.003","85.069","0.003","694.34","0.04","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C20 H22 B2 F8 Fe N18 -","- C20 H22 B2 F8 Fe N18 -","- C20 H22 B2 F8 Fe N18 -","1","0.5","","Maliuzhenko, Vladyslav; Weselski, Marek; Ksiazek, Maria; Hochdörffer, Tim; Wolny, Juliusz A.; Kusz, Joachim; Bronisz, Robert; Schünemann, Volker","A novel family of heteroleptic 1D chain spin-crossover complexes and its DFT modelling. How the formation of polynuclear chains modifies the ligand-field effects on spin transition","Dalton Transactions","2026","","","","","10.1039/D6DT00320F","","","0.71073","MoKα","","0.0375","0.0343","","","0.0847","0.0873","","","","","","1.051","","","","has coordinates,has disorder","305975","2026-05-15","22:56:45",""
"7721032","24.821","0.005","13.172","0.003","8.5615","0.0018","90","","91.634","0.007","90","","2798","1","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Cu(Glu)(bpe)@NO","","","- C22 H22 Cu2 N2.125 O8.125 -","- C22 H22 Cu2 N2.125 O8.125 -","- C88 H88 Cu8 N8.5 O32.5 -","4","0.5","","Lee, Do Nam; Son, Sooji; Gwon, Kihak; Kim, Youngmee; Kim, Sung-Jin; Choi, Seungwoo; Shin, Jae Ho","Linker-Dependent Nitric Oxide Storage and Release Behavior in Cu-Based Metal-Organic Frameworks","Dalton Transactions","2026","","","","","10.1039/D6DT00515B","","","0.71073","MoKα","","0.0705","0.0534","","","0.1374","0.1456","","","","","","1.13","","","","has coordinates","305981","2026-05-16","22:50:00",""
"7721033","24.0229","0.0016","13.0942","0.0007","8.5476","0.0005","90","","92.023","0.003","90","","2687.1","0.3","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","NO@Cu(Glu)(azpy)","","","- C20 H20 Cu2 N4.135 O8.135 -","- C20 H20 Cu2 N4.1356 O8.1356 -","- C80 H80 Cu8 N16.5424 O32.5424 -","4","0.5","","Lee, Do Nam; Son, Sooji; Gwon, Kihak; Kim, Youngmee; Kim, Sung-Jin; Choi, Seungwoo; Shin, Jae Ho","Linker-Dependent Nitric Oxide Storage and Release Behavior in Cu-Based Metal-Organic Frameworks","Dalton Transactions","2026","","","","","10.1039/D6DT00515B","","","0.71073","MoKα","","0.0947","0.0655","","","0.1627","0.1769","","","","","","1.145","","","","has coordinates","305981","2026-05-16","22:50:00",""
"7721034","12.0195","0.0009","9.3382","0.0006","14.7444","0.0009","90","","98.538","0.002","90","","1636.58","0.19","295.85","","295.85","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H8 N3 O6 Re S -","- C14 H8 N3 O6 Re S -","- C56 H32 N12 O24 Re4 S4 -","4","1","","Toro-Sánchez, Patricia M; Lucero, Andrea; Villaman, David; Moncada-Basualto, Mauricio; Arancibia, Rodrigo; Wilkinson, Shane R.; Levín, Pedro; Cisterna, Jonathan; Brito, Iván; López, Concepción","Rational design of novel organometallic <i>N</i>-acylhydrazones with potent antiparasitic activity on <i>Trypanosoma cruzi</i> and <i>brucei</i>.","Dalton transactions (Cambridge, England : 2003)","2026","55","21","8393","8412","10.1039/d6dt00138f","","","0.71073","MoKα","","0.0972","0.0402","","","0.0464","0.0571","","","","","","1.094","","","","has coordinates","306436","2026-06-05","19:09:44",""
"7721035","6.871","0.0012","8.3059","0.0013","14.755","0.003","95.562","0.005","93.119","0.005","94.287","0.005","834.1","0.3","296.88","","296.88","","","","","","","","","6","P -1","-P 1","2","","","","- C14 H8 N3 O6 Re S -","- C14 H8 N3 O6 Re S -","- C28 H16 N6 O12 Re2 S2 -","2","1","","Toro-Sánchez, Patricia M; Lucero, Andrea; Villaman, David; Moncada-Basualto, Mauricio; Arancibia, Rodrigo; Wilkinson, Shane R.; Levín, Pedro; Cisterna, Jonathan; Brito, Iván; López, Concepción","Rational design of novel organometallic <i>N</i>-acylhydrazones with potent antiparasitic activity on <i>Trypanosoma cruzi</i> and <i>brucei</i>.","Dalton transactions (Cambridge, England : 2003)","2026","55","21","8393","8412","10.1039/d6dt00138f","","","0.71073","MoKα","","0.0619","0.0464","","","0.1092","0.12","","","","","","1.105","","","","has coordinates","306436","2026-06-05","19:09:44",""
"7721036","10.20836","0.0001","14.44768","0.00017","17.2611","0.0002","73.43","0.0011","76.9472","0.0009","77.9305","0.0009","2348.31","0.05","100.01","0.1","100.01","0.1","","","","","","","","8","P 1","P 1","1","","","","- C86 H91 Cl2 Dy2 F2 N11 O21 P2 -","- C86 H91 Cl2 Dy2 F2 N11 O21 P2 -","- C86 H91 Cl2 Dy2 F2 N11 O21 P2 -","1","1","","Liu, Cai-Ming; Zhang, Yi-Quan; Hao, Xiang; Li, Xi-Li","Effect of solvents on multifunctional Dy2 complexes with axial chiral ligands (R)/(S)-1,1'-binaphthyl-2,2'-diyl hydrogen phosphate","Dalton Transactions","2026","","","","","10.1039/D6DT00796A","","x-ray","1.54184","CuKα","","0.0482","0.0473","","","0.1306","0.1314","","","","","","1.028","","","","has coordinates","305998","2026-05-19","22:56:56",""
"7721037","9.61218","0.00014","14.05975","0.00019","58.5896","0.0007","90","","90","","90","","7918.08","0.18","100","0.1","100","0.1","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C81 H73 Cl2 Dy2 F2 N11 O17 P2 -","- C81 H73 Cl2 Dy2 F2 N11 O17 P2 -","- C324 H292 Cl8 Dy8 F8 N44 O68 P8 -","4","1","","Liu, Cai-Ming; Zhang, Yi-Quan; Hao, Xiang; Li, Xi-Li","Effect of solvents on multifunctional Dy2 complexes with axial chiral ligands (R)/(S)-1,1'-binaphthyl-2,2'-diyl hydrogen phosphate","Dalton Transactions","2026","","","","","10.1039/D6DT00796A","","x-ray","1.54184","CuKα","","0.0609","0.059","","","0.1352","0.1359","","","","","","1.198","","","","has coordinates","305998","2026-05-19","22:56:56",""
"7721038","10.1389","0.0004","11.9692","0.0004","14.6521","0.0005","94.06","0.003","102.209","0.003","112.235","0.003","1586.14","0.11","170","0.1","170","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C35 H30 F3 Li O5 P2 -","- C35 H30 F3 Li O5 P2 -","- C70 H60 F6 Li2 O10 P4 -","2","1","","Zhao, Yunze; Zhang, Jianfeng; Li, Sai; Schwedtmann, Kevin; Wenzel, Marco; Doert, Thomas; Xing, Huifang; Yang, Liangrong; Weigand, Jan J.","Spacer-Tuned Diphosphine Dioxides as Preorganised Co-Ligands for Synergistic Lithium Extraction with β-Diketonates †","Dalton Transactions","2026","","","","","10.1039/D6DT00738D","","x-ray","0.71073","MoKα","","0.0707","0.0452","","","0.1112","0.1219","","","","","","1.045","","","","has coordinates","305999","2026-05-19","22:57:05",""
"7721039","12.5215","0.0007","12.728","0.0006","13.3509","0.0006","64.326","0.005","89.184","0.004","65.971","0.005","1717.19","0.19","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C36.08 H31.67 Cl0.18 F3 Li O4.75 P2 -","- C36.087 H31.674 Cl0.174 F3 Li O4.75 P2 -","- C72.174 H63.348 Cl0.348 F6 Li2 O9.5 P4 -","2","1","","Zhao, Yunze; Zhang, Jianfeng; Li, Sai; Schwedtmann, Kevin; Wenzel, Marco; Doert, Thomas; Xing, Huifang; Yang, Liangrong; Weigand, Jan J.","Spacer-Tuned Diphosphine Dioxides as Preorganised Co-Ligands for Synergistic Lithium Extraction with β-Diketonates †","Dalton Transactions","2026","","","","","10.1039/D6DT00738D","","x-ray","1.54184","CuKα","","0.0559","0.0498","","","0.1317","0.1378","","","","","","1.036","","","","has coordinates","305999","2026-05-19","22:57:05",""
"7721040","11.6539","0.0004","18.4849","0.0006","30.32","0.001","90","","91.854","0.003","90","","6528.2","0.4","295","2","295","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C62 H52 Cl4 Cu Fe2 N14 O10 S2 -","- C62 H52 Cl4 Cu Fe2 N14 O10 S2 -","- C248 H208 Cl16 Cu4 Fe8 N56 O40 S8 -","4","1","","Guk, Dmitry A.; Karetnikov, Georgy; Moiseeva, Anna A.; Ipatova, Daria; Alekseechkina, Uliana G.; Skvortsov, Dmitry; Grishin, Y. K.; Tafeenko, Viktor; Lyssenko, Konstantin; Khan, Irina; Pokrovsky, Vadim; Pergushov, Vladimir I.; Beloglazkina, Elena K.","New redox-active Cu complexes with tridentate chelating ligands based on 2-thioimidazol-4-ones as potential antiproliferative agents","Dalton Transactions","2026","","","","","10.1039/D6DT00791K","","","1.54186","CuKα","","0.1269","0.0561","","","0.1229","0.1448","","","","","","0.877","","","","has coordinates,has disorder","306052","2026-05-20","22:51:20",""
"7721041","11.2695","0.0007","20.7691","0.0014","22.4933","0.0012","113.941","0.006","101.028","0.005","95.66","0.006","4630.9","0.6","99.9","0.5","100.15","","","","","","","","","6","P -1","-P 1","2","","Fe4^2-","","- C82.5 H84.5 F2.5 Fe6 K3 O36 -","- C82.5 H84.5 F2.5 Fe6 K3 O36 -","- C165 H169 F5 Fe12 K6 O72 -","2","1","","Dick, Emily; Joseph, Chris; Lynch, Vincent M.; Rose, Michael J.","Synthesis, structure & diphenylacetylene reduction reactivity of a carbide-supported Fe4Mo2 carbonyl cluster: a higher Fe-valence hydride intermediate for enhanced selectivity","Dalton Transactions","2026","","","","","10.1039/D6DT00524A","","","1.54184","CuKα","","0.1498","0.0695","","","0.127","0.1553","","","","","","0.941","","","","has coordinates,has disorder","306059","2026-05-21","22:51:07",""
"7721042","16.9288","0.0003","8.7619","0.0001","19.7002","0.0003","90","","92.469","0.001","90","","2919.39","0.08","100","2","100.15","","","","","","","","","6","P 1 n 1","P -2yac","7","","Fe4Mo2^2-","","- C51 H48 Fe4 K2 Mo2 O30 -","- C51 H48 Fe4 K2 Mo2 O30 -","- C102 H96 Fe8 K4 Mo4 O60 -","2","1","","Dick, Emily; Joseph, Chris; Lynch, Vincent M.; Rose, Michael J.","Synthesis, structure & diphenylacetylene reduction reactivity of a carbide-supported Fe4Mo2 carbonyl cluster: a higher Fe-valence hydride intermediate for enhanced selectivity","Dalton Transactions","2026","","","","","10.1039/D6DT00524A","","","0.71073","MoKα","","0.0261","0.0249","","","0.0613","0.0619","","","","","","1.033","","","","has coordinates,has disorder","306059","2026-05-21","22:51:07",""
"7721043","10.4692","0.0002","11.8245","0.0002","13.6613","0.0002","65.2764","0.0009","82.855","0.0009","65.3355","0.0009","1393.43","0.04","290","","290","","","","","","","","","6","P -1","-P 1","2","","","","- C23 H25 Cl2 N5 Ni O -","- C23 H25 Cl2 N5 Ni O -","- C46 H50 Cl4 N10 Ni2 O2 -","2","1","","Zuo, Jing; Zhang, Jun; Li, Hongxiu; Hu, Chaojie; Zhao, Mei-Xin","Nickel Complexes Supported by a New Class of Fused Imidazonaphthyridine Tridentate N,N,N-Ligands for Ethylene Oligomerization and Isolation of a Key Ni-Al Intermediate","Dalton Transactions","2026","","","","","10.1039/D6DT00825A","","","1.54178","CuKα","","0.0443","0.0419","","","0.1209","0.1228","","","","","","1.078","","","","has coordinates,has disorder","306072","2026-05-22","22:51:24",""
"7721044","12.9309","0.0002","13.2937","0.0002","19.3267","0.0004","90","","100.274","0.0009","90","","3268.99","0.1","200","","200","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H37 Cl2 N5 Ni O -","- C33 H37 Cl2 N5 Ni O -","- C132 H148 Cl8 N20 Ni4 O4 -","4","1","","Zuo, Jing; Zhang, Jun; Li, Hongxiu; Hu, Chaojie; Zhao, Mei-Xin","Nickel Complexes Supported by a New Class of Fused Imidazonaphthyridine Tridentate N,N,N-Ligands for Ethylene Oligomerization and Isolation of a Key Ni-Al Intermediate","Dalton Transactions","2026","","","","","10.1039/D6DT00825A","","","1.54178","CuKα","","0.0453","0.042","","","0.1209","0.1233","","","","","","1.082","","","","has coordinates","306072","2026-05-22","22:51:24",""
"7721045","9.8014","0.0002","15.591","0.0003","16.5325","0.0003","116.01","0.001","92.718","0.001","105.943","0.001","2141.59","0.08","200","","200","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H43 Cl2 N5 Ni O -","- C40 H43 Cl2 N5 Ni O -","- C80 H86 Cl4 N10 Ni2 O2 -","2","1","","Zuo, Jing; Zhang, Jun; Li, Hongxiu; Hu, Chaojie; Zhao, Mei-Xin","Nickel Complexes Supported by a New Class of Fused Imidazonaphthyridine Tridentate N,N,N-Ligands for Ethylene Oligomerization and Isolation of a Key Ni-Al Intermediate","Dalton Transactions","2026","","","","","10.1039/D6DT00825A","","","1.54178","CuKα","","0.041","0.0335","","","0.0912","0.0951","","","","","","1.069","","","","has coordinates,has disorder","306072","2026-05-22","22:51:24",""
"7721046","14.6615","0.0002","15.7274","0.0003","19.507","0.0003","90","","90","","90","","4498.07","0.13","200","","200","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H26 Cl2 N4 Ni -","- C24 H26 Cl2 N4 Ni -","- C192 H208 Cl16 N32 Ni8 -","8","1","","Zuo, Jing; Zhang, Jun; Li, Hongxiu; Hu, Chaojie; Zhao, Mei-Xin","Nickel Complexes Supported by a New Class of Fused Imidazonaphthyridine Tridentate N,N,N-Ligands for Ethylene Oligomerization and Isolation of a Key Ni-Al Intermediate","Dalton Transactions","2026","","","","","10.1039/D6DT00825A","","x-ray","1.54178","CuKα","","0.0446","0.0367","","","0.0935","0.0981","","","","","","1.03","","","","has coordinates","306072","2026-05-22","22:51:24",""
"7721047","13.6838","0.0005","14.284","0.0005","16.1028","0.0006","101.275","0.002","90.059","0.002","108.916","0.002","2912.95","0.19","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C51 H64 Al Cl4 N4 Ni O3 -","- C51 H64 Al Cl4 N4 Ni O3 -","- C102 H128 Al2 Cl8 N8 Ni2 O6 -","2","1","","Zuo, Jing; Zhang, Jun; Li, Hongxiu; Hu, Chaojie; Zhao, Mei-Xin","Nickel Complexes Supported by a New Class of Fused Imidazonaphthyridine Tridentate N,N,N-Ligands for Ethylene Oligomerization and Isolation of a Key Ni-Al Intermediate","Dalton Transactions","2026","","","","","10.1039/D6DT00825A","","x-ray","1.54178","CuKα","","0.0614","0.0508","","","0.1484","0.157","","","","","","1.085","","","","has coordinates,has disorder","306072","2026-05-22","22:51:24",""
"7721048","8.9717","0.0005","8.9893","0.0005","17.3228","0.0009","84.085","0.002","86.363","0.002","79.803","0.002","1366.23","0.13","100","2","100","2","","","","","","","","6","P -1","-P 1","2","811 C-192-2-1 RhTp(eta4-3,4-(COOtBu)2-1,3-hexadiene)","","","- C25 H36 B N6 O4 Rh -","- C25 H36 B N6 O4 Rh -","- C50 H72 B2 N12 O8 Rh2 -","2","1","","Bottari, Giovanni; Moreno, Juan J.; Salazar, Verónica; Campos, Jesús; Mereiter, Kurt; Rendón, Nuria; Cerón-Castelán, Jesus Emmanuel; Lopez-Serrano, Joaquin; Paneque, Margarita; Santos, Laura L.","Experimental and theoretical studies on the (co)cyclotrimerization of alkynes (and ethylene) in a TpRh compound","Dalton Transactions","2026","","","","","10.1039/D6DT00618C","","","0.71073","MoKα","","0.029","0.0278","","","0.0677","0.0684","","","","","","1.1","","","","has coordinates","306073","2026-05-22","22:51:35",""
"7721049","9.6206","0.0003","12.6144","0.0004","13.4975","0.0004","80.049","0.001","73.487","0.001","77.493","0.001","1522.33","0.08","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H35 B Cl3 N6 O5 Rh -","- C24 H35 B Cl3 N6 O5 Rh -","- C48 H70 B2 Cl6 N12 O10 Rh2 -","2","1","","Bottari, Giovanni; Moreno, Juan J.; Salazar, Verónica; Campos, Jesús; Mereiter, Kurt; Rendón, Nuria; Cerón-Castelán, Jesus Emmanuel; Lopez-Serrano, Joaquin; Paneque, Margarita; Santos, Laura L.","Experimental and theoretical studies on the (co)cyclotrimerization of alkynes (and ethylene) in a TpRh compound","Dalton Transactions","2026","","","","","10.1039/D6DT00618C","","","0.71073","MoKα","","0.0302","0.0267","","","0.0656","0.0676","","","","","","1.051","","","","has coordinates","306073","2026-05-22","22:51:35",""
"7721050","14.0784","0.0003","15.905","0.0003","16.6057","0.0002","95.517","0.001","91.295","0.001","112.378","0.002","3415.27","0.12","120","2","120","","","","","","","","","9","P -1","-P 1","2","","","","- C76 H52 Au2 Cu2 F6 N2 O7 P2 S2 -","- C76 H52 Au2 Cu2 F6 N2 O7 P2 S2 -","- C152 H104 Au4 Cu4 F12 N4 O14 P4 S4 -","2","1","","Ahmad, Jalal; Atencio, Anyie P.; Ward, Jas S.; Engeser, Marianne; Rissanen, Kari; Angurell, Inmaculada; Rodriguez, Laura","Triphenylene Chromophore Enhances Emission in Au/Cu Heterometallic Complexes","Dalton Transactions","2026","","","","","10.1039/D6DT00964F","","x-ray","1.54184","CuKα","","0.0366","0.0317","","","0.0821","0.085","","","","","","1.093","","","","has coordinates","306096","2026-05-26","22:51:34",""
"7721051","18.8859","0.0004","19.3043","0.0003","22.4193","0.0004","89.931","0.001","69.06","0.002","66.344","0.002","6895.1","0.3","120.01","0.1","120.01","0.1","","","","","","","","9","P -1","-P 1","2","","","","- C315 H244 Au8 Cl2 Cu8 F32 N8 O8 P16 -","- C315 H244 Au8 Cl2 Cu8 F32 N8 O8 P16 -","- C315 H244 Au8 Cl2 Cu8 F32 N8 O8 P16 -","1","0.5","","Ahmad, Jalal; Atencio, Anyie P.; Ward, Jas S.; Engeser, Marianne; Rissanen, Kari; Angurell, Inmaculada; Rodriguez, Laura","Triphenylene Chromophore Enhances Emission in Au/Cu Heterometallic Complexes","Dalton Transactions","2026","","","","","10.1039/D6DT00964F","","x-ray","1.54184","CuKα","","0.0468","0.0391","","","0.0926","0.096","","","","","","1.04","","","","has coordinates,has disorder","306096","2026-05-26","22:51:34",""
"7721052","11.3888","0.0001","14.114","0.0001","18.049","0.0001","87.619","0.001","88.593","0.001","88.921","0.001","2897.38","0.04","120","0.1","120","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C37 H25 Au N P -","- C37 H25 Au N P -","- C148 H100 Au4 N4 P4 -","4","2","","Ahmad, Jalal; Atencio, Anyie P.; Ward, Jas S.; Engeser, Marianne; Rissanen, Kari; Angurell, Inmaculada; Rodriguez, Laura","Triphenylene Chromophore Enhances Emission in Au/Cu Heterometallic Complexes","Dalton Transactions","2026","","","","","10.1039/D6DT00964F","","x-ray","1.54184","CuKα","","0.0249","0.0232","","","0.0604","0.0614","","","","","","1.038","","","","has coordinates,has disorder","306096","2026-05-26","22:51:34",""
"7721053","12.845","0.0005","15.5635","0.0006","17.13","0.0006","94.992","0.002","105.904","0.002","109.654","0.002","3040.3","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H34 Cl2 N2 Zn -","- C32 H34 Cl2 N2 Zn -","- C128 H136 Cl8 N8 Zn4 -","4","2","","Killian, Lars; Olarte Loyo, Anne; De Ridder, Roy R.P.A.M.; Lutz, Martin; Thevenon, Arnaud","Synthesis and Characterisation of Novel Dipyridine and Pyridinyl Benzoquinoline Complexes of Zinc and Nickel","Dalton Transactions","2026","","","","","10.1039/D6DT00659K","","","0.71073","MoKα","","0.0595","0.0348","","","0.0828","0.0928","","","","","","1.041","","","","has coordinates","306097","2026-05-26","22:51:50",""
"7721054","8.9655","0.0007","13.7579","0.0011","14.1054","0.0008","107.06","0.003","97.229","0.002","102.061","0.002","1593.7","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H38 Cl2 N2 O Zn -","- C34 H38 Cl2 N2 O Zn -","- C68 H76 Cl4 N4 O2 Zn2 -","2","1","","Killian, Lars; Olarte Loyo, Anne; De Ridder, Roy R.P.A.M.; Lutz, Martin; Thevenon, Arnaud","Synthesis and Characterisation of Novel Dipyridine and Pyridinyl Benzoquinoline Complexes of Zinc and Nickel","Dalton Transactions","2026","","","","","10.1039/D6DT00659K","","","0.71073","MoKα","","0.1016","0.054","","","0.1263","0.1467","","","","","","1.041","","","","has coordinates,has disorder","306097","2026-05-26","22:51:50",""
"7721055","9.0227","0.0003","12.0364","0.0004","18.7791","0.0005","102.479","0.001","93.579","0.002","108.074","0.001","1874.49","0.1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C70 H80 Cl14 N4 Ni -","- C70 H80 Cl14 N4 Ni -","- C70 H80 Cl14 N4 Ni -","1","0.5","","Killian, Lars; Olarte Loyo, Anne; De Ridder, Roy R.P.A.M.; Lutz, Martin; Thevenon, Arnaud","Synthesis and Characterisation of Novel Dipyridine and Pyridinyl Benzoquinoline Complexes of Zinc and Nickel","Dalton Transactions","2026","","","","","10.1039/D6DT00659K","","","0.71073","MoKα","","0.0557","0.0461","","","0.1249","0.1297","","","","","","1.037","","","","has coordinates,has disorder","306097","2026-05-26","22:51:50",""
"7721056","39.7582","0.0008","39.7582","0.0008","7.91706","0.00017","90","","90","","120","","10838","0.4","173.15","","173.15","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C26 H15 N6 O Pd -","- C26 H15 N6 O Pd -","- C468 H270 N108 O18 Pd18 -","18","1","","Ramadan, Doaa R.; Fouad, Manar Ahmed; Ferretti, Francesco; Brotons-Rufes, Artur; Macchi, Piero; Sorace, Lorenzo; Gimferrer, Martí; Costabile, Chiara; Ragaini, Fabio","A Non-Innocent Radical-Anionic Nitrosoarene Ligand Regularizes a Formal Palladium(I) Complex to Palladium(II)","Dalton Transactions","2026","","","","","10.1039/D6DT01038E","","x-ray","1.54184","CuKα","","0.0437","0.0342","","","0.1012","0.1091","","","","","","0.8183","","","","has coordinates","306098","2026-05-26","22:52:17",""
"7721057","20.4253","0.0005","9.4945","0.0002","40.0921","0.001","90","","92.269","0.002","90","","7768.9","0.3","173","0.1","173","0.1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C41 H56 Cl Cu N2 O -","- C41 H56 Cl Cu N2 O -","- C328 H448 Cl8 Cu8 N16 O8 -","8","1","","Huan, Zhen; Yang, Jin-Dong; Cheng, Jin-Pei","Persistent radical effect-mediated Cu-O bond homolysis: EPR spectroscopic evidence in NHC-copper phenolate systems.","Dalton transactions (Cambridge, England : 2003)","2026","","","","","10.1039/d6dt00994h","","x-ray","1.54184","CuKα","","0.0577","0.0509","","","0.1329","0.1376","","","","","","1.042","","","","has coordinates","306118","2026-05-29","00:34:34",""
"7721058","19.9149","0.0003","7.53694","0.00011","21.027","0.0003","90","","90","","90","","3156.1","0.08","104","2","104","3","","","","","","","","4","P b c a","-P 2ac 2ab","61","PTD","","","- C15 H19 N7 O2 -","- C15 H19 N7 O2 -","- C120 H152 N56 O16 -","8","1","","Wan, Yong Qiang; Zhang, Yang Yang; Zhang, Shi Lin; Hao, Huai Xin; Bai, Ji Yao; Ma, Zhi Jun; Geng, Long; Wang, Zhipeng; Gallagher, John F.; Li, Jun; Mocilac, Pavle","Development and Comparative Study of a Hydrophilic Bis-Triazolyl-Phenanthroline and Two Bis-Triazolyl-Pyridine Ligands","Dalton Transactions","2026","","","","","10.1039/D6DT00312E","","x-ray","1.54184","CuKα","","0.0405","0.0366","","","0.0964","0.0997","","","","","","1.053","","","","has coordinates","306135","2026-05-29","23:00:11",""
"7721059","31.037","0.003","17.2042","0.0016","4.3924","0.0005","90","","90","","90","","2345.4","0.4","100","2","100.2","0.4","","","","","","","","4","P n a 21","P 2c -2n","33","DEG_BTrzPhen","","","- C24 H28 N8 O5 -","- C24 H28 N8 O5 -","- C96 H112 N32 O20 -","4","1","","Wan, Yong Qiang; Zhang, Yang Yang; Zhang, Shi Lin; Hao, Huai Xin; Bai, Ji Yao; Ma, Zhi Jun; Geng, Long; Wang, Zhipeng; Gallagher, John F.; Li, Jun; Mocilac, Pavle","Development and Comparative Study of a Hydrophilic Bis-Triazolyl-Phenanthroline and Two Bis-Triazolyl-Pyridine Ligands","Dalton Transactions","2026","","","","","10.1039/D6DT00312E","","x-ray","1.54184","CuKα","","0.0844","0.072","","","0.1399","0.1479","","","","","","1.103","","","","has coordinates","306135","2026-05-29","23:00:11",""
"7721060","8.42287","0.00015","7.05057","0.00012","23.7774","0.0004","90","","95.2579","0.0015","90","","1406.1","0.04","100","2","100.2","0.4","","","","","","","","4","P 1 21/n 1","-P 2yn","14","HE-PTD","","","- C13 H15 N7 O2 -","- C13 H15 N7 O2 -","- C52 H60 N28 O8 -","4","1","","Wan, Yong Qiang; Zhang, Yang Yang; Zhang, Shi Lin; Hao, Huai Xin; Bai, Ji Yao; Ma, Zhi Jun; Geng, Long; Wang, Zhipeng; Gallagher, John F.; Li, Jun; Mocilac, Pavle","Development and Comparative Study of a Hydrophilic Bis-Triazolyl-Phenanthroline and Two Bis-Triazolyl-Pyridine Ligands","Dalton Transactions","2026","","","","","10.1039/D6DT00312E","","x-ray","1.54184","CuKα","","0.0477","0.0455","","","0.1197","0.1225","","","","","","1.04","","","","has coordinates","306135","2026-05-29","23:00:11",""
"7721061","17.1169","0.0016","21.148","0.002","20.1177","0.0019","90","","108.886","0.003","90","","6890.3","1.1","193","","193","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C66 H28 Cl2 F20 Ir N7 -","- C66 H28 Cl2 F20 Ir N7 -","- C264 H112 Cl8 F80 Ir4 N28 -","4","1","","Wang, Yue; Wu, Yifan; Wang, Longxiang; Sang, Linxue; Cao, Jianfang; Furuta, Hiroyuki; Xue, Songlin; Feng, Ru","Iridium(I)-Corrorin Complexes as Green-Light Photosensitizers for Singlet Oxygen","Dalton Transactions","2026","","","","","10.1039/D6DT00801A","","x-ray","0.71073","MoKα","","0.097","0.0559","","","0.1079","0.1249","","","","","","1.022","","","","has coordinates","306155","2026-06-01","22:55:06",""
"7721062","11.6632","0.0003","15.7392","0.0005","23.039","0.0006","109.625","0.002","90.77","0.002","109.744","0.003","3710.8","0.2","147","1","147","1","","","","","","","","6","P -1","-P 1","2","","","","- C150 H192 Cs4 Cu2 N24 O24 -","- C150 H192 Cs4 Cu2 N24 O24 -","- C150 H192 Cs4 Cu2 N24 O24 -","1","0.5","","Faraonov, Maxim A.; Romanenko, Nikita R.; Ivanov, Timur E.; Shmakov, Alexandr S.; Akimov, Alexander V.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Otsuka, Akihiro; Kitagawa, Hiroshi; Konarev, Dmitri V.","Doubly Reduced Phthalocyanine Complexes of V(IV), Cu(II), and Sn(II): Synthesis, Structure, and Spin Dynamics","Dalton Transactions","2026","","","","","10.1039/D6DT00887A","","x-ray","0.71073","MoKα","","0.0736","0.0461","","","0.0996","0.1137","","","","","","1.036","","","","has coordinates","306156","2026-06-01","22:55:20",""
"7721063","12.6407","0.0002","14.2152","0.0002","33.5193","0.0005","79.781","0.001","79.274","0.001","82.532","0.001","5794.63","0.15","114","13","114","13","","","","","","","","6","P 1","P 1","1","","","","- C232 H296 Cs6 N36 O39 V3 -","- C204 H264 Cs6 N36 O39 V3 -","- C204 H264 Cs6 N36 O39 V3 -","1","1","","Faraonov, Maxim A.; Romanenko, Nikita R.; Ivanov, Timur E.; Shmakov, Alexandr S.; Akimov, Alexander V.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Otsuka, Akihiro; Kitagawa, Hiroshi; Konarev, Dmitri V.","Doubly Reduced Phthalocyanine Complexes of V(IV), Cu(II), and Sn(II): Synthesis, Structure, and Spin Dynamics","Dalton Transactions","2026","","","","","10.1039/D6DT00887A","","x-ray","0.71073","MoKα","","0.0507","0.0479","","","0.0943","0.0965","","","","","","1.075","","","","has coordinates","306156","2026-06-01","22:55:20",""
"7721064","15.0125","0.0002","22.5983","0.0003","23.4253","0.0003","76.547","0.001","87.276","0.001","86.398","0.001","7709.43","0.18","114.2","0.14","114.2","0.14","","","","","","","","6","P -1","-P 1","2","","","","- C144.75 H186 Cs4 N24 O24 Sn2 -","- C144.75 H186 Cs4 N24 O24 Sn2 -","- C289.5 H372 Cs8 N48 O48 Sn4 -","2","1","","Faraonov, Maxim A.; Romanenko, Nikita R.; Ivanov, Timur E.; Shmakov, Alexandr S.; Akimov, Alexander V.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Otsuka, Akihiro; Kitagawa, Hiroshi; Konarev, Dmitri V.","Doubly Reduced Phthalocyanine Complexes of V(IV), Cu(II), and Sn(II): Synthesis, Structure, and Spin Dynamics","Dalton Transactions","2026","","","","","10.1039/D6DT00887A","","x-ray","0.71073","MoKα","","0.064","0.0553","","","0.1231","0.1272","","","","","","1.236","","","","has coordinates,has disorder","306156","2026-06-01","22:55:20",""
"7721065","8.4551","0.0014","14.66","0.002","17.989","0.004","90","","104.662","0.017","90","","2157.2","0.7","118.95","0.1","118.95","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H46 B2 F8 Mn N12 -","- C36 H46 B2 F8 Mn N12 -","- C72 H92 B4 F16 Mn2 N24 -","2","0.5","","Ge, Mingcheng; Liu, Xuankun; Yang, Jianguo; Yan, Jinfeng; Zhang, Jianguo; Li, Zhimin","Energetic Mn(II)/Ni(II) Coordination Compounds in Catalyzing RDX and HMX Decomposition and Enhancing Combustion","Dalton Transactions","2026","","","","","10.1039/D6DT00937A","","x-ray","0.71073","MoKα","","0.2161","0.1252","","","0.3069","0.3692","","","","","","1.034","","","","has coordinates,has disorder","306168","2026-06-02","22:54:07",""
"7721066","8.44","0.0008","14.2634","0.0014","18.063","0.005","90","","104.819","0.015","90","","2102.2","0.7","115.95","0.1","115.95","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H48 B2 F8 N12 Ni -","- C36 H48 B2 F8 N12 Ni -","- C72 H96 B4 F16 N24 Ni2 -","2","0.5","","Ge, Mingcheng; Liu, Xuankun; Yang, Jianguo; Yan, Jinfeng; Zhang, Jianguo; Li, Zhimin","Energetic Mn(II)/Ni(II) Coordination Compounds in Catalyzing RDX and HMX Decomposition and Enhancing Combustion","Dalton Transactions","2026","","","","","10.1039/D6DT00937A","","x-ray","0.71073","MoKα","","0.1128","0.0664","","","0.1259","0.1576","","","","","","1.047","","","","has coordinates,has disorder","306168","2026-06-02","22:54:07",""
"7721067","7.4144","0.0002","9.9662","0.0002","18.8356","0.0004","90","","101.188","0.002","90","","1365.38","0.06","169.97","0.1","169.97","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 Mo N2 O6 -","- C13 H12 Mo N2 O6 -","- C52 H48 Mo4 N8 O24 -","4","1","","Sarjanović, Josipa; Fiser, Béla; Pisk, Jana","Mechanochemical synthesis, solvent-controlled coordination, and catalytic oxidation activity of furoic acid-based Mo(vi) complexes","Dalton Transactions","2026","","","","","10.1039/D6DT00558F","","x-ray","1.54184","CuKα","","0.0502","0.0446","","","0.112","0.1155","","","","","","1.094","","","","has coordinates","306169","2026-06-02","22:54:21",""
"7721068","10.1957","0.0004","10.5996","0.0003","12.6277","0.0005","90","","109.654","0.005","90","","1285.17","0.09","169.99","0.1","169.99","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H10 Mo N2 O6 -","- C12 H10 Mo N2 O6 -","- C48 H40 Mo4 N8 O24 -","4","1","","Sarjanović, Josipa; Fiser, Béla; Pisk, Jana","Mechanochemical synthesis, solvent-controlled coordination, and catalytic oxidation activity of furoic acid-based Mo(vi) complexes","Dalton Transactions","2026","","","","","10.1039/D6DT00558F","","x-ray","1.54184","CuKα","","0.0466","0.0443","","","0.1225","0.1253","","","","","","1.069","","","","has coordinates","306169","2026-06-02","22:54:21",""
"7721069","8.7229","0.0006","13.5442","0.0008","8.0885","0.0005","90","","90.419","0.005","90","","955.59","0.1","120","2","120","2","","","","","","","","5","C 1 m 1","C -2y","8","","<i>trans</i>-bis(acetylacetonato-k2O,O')oxido(isoquinoline-kN)vanadium(IV)","","- C19 H21 N O5 V -","- C19 H21 N O5 V -","- C38 H42 N2 O10 V2 -","2","0.5","","Matusiewicz, Barbara; Tesmar, Aleksandra; Brzeski, Jakub; Freza, Sylwia; Kazimierczuk, Katarzyna; Wyrzykowski, Dariusz","Stereochemical control and its consequences in VO(acac)2 complexes: an integrated study of trans/cis isomerism with quinoline and isoquinoline","Dalton Transactions","2026","","","","","10.1039/D6DT01029F","","x-ray","0.71073","MoKα","","0.0473","0.0445","","","0.1161","0.1243","","","","","","1.083","","","","has coordinates","306170","2026-06-02","22:54:29",""
"7721070","8.0583","0.0003","7.7264","0.0004","15.3312","0.0006","90","","96.296","0.003","90","","948.79","0.07","120","2","120","2","","","","","","","","5","P 1 n 1","P -2yac","7","","<i>trans</i>-bis(acetylacetonato-k2O,O')oxido(quinoline-kN)vanadium(IV)","","- C19 H21 N O5 V -","- C19 H21 N O5 V -","- C38 H42 N2 O10 V2 -","2","1","","Matusiewicz, Barbara; Tesmar, Aleksandra; Brzeski, Jakub; Freza, Sylwia; Kazimierczuk, Katarzyna; Wyrzykowski, Dariusz","Stereochemical control and its consequences in VO(acac)2 complexes: an integrated study of trans/cis isomerism with quinoline and isoquinoline","Dalton Transactions","2026","","","","","10.1039/D6DT01029F","","x-ray","0.71073","MoKα","","0.0387","0.0362","","","0.0967","0.1012","","","","","","1.052","","","","has coordinates","306170","2026-06-02","22:54:29",""
"7721071","8.222","0.002","20.454","0.008","11.506","0.004","90","","108.51","0.02","90","","1834.9","1.1","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>cis</i>-bis(acetylacetonato-k2O,O')oxido(isoquinoline-kN)vanadium(IV)","","- C19 H21 N O5 V -","- C19 H21 N O5 V -","- C76 H84 N4 O20 V4 -","4","1","","Matusiewicz, Barbara; Tesmar, Aleksandra; Brzeski, Jakub; Freza, Sylwia; Kazimierczuk, Katarzyna; Wyrzykowski, Dariusz","Stereochemical control and its consequences in VO(acac)2 complexes: an integrated study of trans/cis isomerism with quinoline and isoquinoline","Dalton Transactions","2026","","","","","10.1039/D6DT01029F","","x-ray","0.71073","MoKα","","0.0685","0.0445","","","0.108","0.1175","","","","","","1.029","","","","has coordinates","306170","2026-06-02","22:54:29",""
"7721072","4.4771","0.0002","23.9266","0.0013","13.2809","0.0007","90","","93.512","0.002","90","","1420","0.12","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 N2 O4 -","- C16 H14 N2 O4 -","- C64 H56 N8 O16 -","4","1","","Shinziya, Hazeena; Das, Avijit Kumar; Suresh, Sahana; Brandão, Paula; Saha, Urmila; Karan, Gouri; Choudhury, Sujata Maiti; Dolai, Malay","Crystallographic and Theoretical Insights into a Fluorogenic Turn-On Probe for Selective Fe³⁺ Detection with Biomolecular Binding and In Vitro Anticancer Studies","Dalton Transactions","2026","","","","","10.1039/D6DT01146B","","","0.71073","MoKα","","0.071","0.0619","","","0.161","0.1678","","","","","","1.158","","","","has coordinates","306171","2026-06-02","22:54:38",""
"7721073","10.0181","0.0002","8.9143","0.0002","17.1117","0.0003","90","","93.4888","0.0006","90","","1525.32","0.05","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","N-benzhydryl-N?-methyl-imidazolylidene borane","(1-benzhydryl-3-methyl-1H-imidazol-3-ium-2-yl)trihydroborate","","- C17 H19 B N2 -","- C17 H19 B N2 -","- C68 H76 B4 N8 -","4","1","","Niessen, Nicolas; Adjieufack, Abel Idrice; Tumanov, Nikolay; Wouters, Johan; Champagne, Benoît; Berionni, Guillaume; Bijouard, Kajetan","Accessing chiral NHC-boranes by abstraction of C6F5 from the B(C6F5)4− weakly coordinating anion","Dalton Transactions","2026","","","","","10.1039/D5DT02919H","","","1.54178","CuKα","","0.0465","0.045","","","0.124","0.1261","","","","","","1.052","","","","has coordinates","306181","2026-06-03","22:54:34",""
"7721074","7.2934","0.0001","12.2741","0.0002","13.0135","0.0002","117.663","0.001","93.356","0.001","90.741","0.001","1028.97","0.03","297","2","297","2","","","","","","","","5","P -1","-P 1","2","[N-benzhydryl-N'-methyl-imidazol-2-ylidene](dihydrydo)(pentafluorophenyl)borane","[N-benzhydryl-N'-methyl-imidazol-2-ylidene](dihydrydo)(pentafluorophenyl)borane","","- C23 H18 B F5 N2 -","- C23 H18 B F5 N2 -","- C46 H36 B2 F10 N4 -","2","1","","Niessen, Nicolas; Adjieufack, Abel Idrice; Tumanov, Nikolay; Wouters, Johan; Champagne, Benoît; Berionni, Guillaume; Bijouard, Kajetan","Accessing chiral NHC-boranes by abstraction of C6F5 from the B(C6F5)4− weakly coordinating anion","Dalton Transactions","2026","","","","","10.1039/D5DT02919H","","","1.54178","CuKα","","0.045","0.0436","","","0.1194","0.1212","","","","","","1.052","","","","has coordinates","306181","2026-06-03","22:54:34",""
"7721075","21.091","0.0009","5.8372","0.0002","15.3641","0.0006","90","","90.2294","0.0019","90","","1891.5","0.13","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","trans-(4-phenyl-B-perfluorophenyl)-1-N-methyl-4-phenyl-5,10-B-dihydrobenzo-imidazolylidene hydrido-perfluorophenylborane","trans-(4-phenyl-B-perfluorophenyl)-1-N-methyl-4-phenyl-5,10-B-dihydrobenzo-imidazolylidene hydrido-perfluorophenylborane","","- C23 H16 B F5 N2 -","- C23 H16 B F5 N2 -","- C92 H64 B4 F20 N8 -","4","1","","Niessen, Nicolas; Adjieufack, Abel Idrice; Tumanov, Nikolay; Wouters, Johan; Champagne, Benoît; Berionni, Guillaume; Bijouard, Kajetan","Accessing chiral NHC-boranes by abstraction of C6F5 from the B(C6F5)4− weakly coordinating anion","Dalton Transactions","2026","","","","","10.1039/D5DT02919H","","","1.54178","CuKα","","0.0296","0.0291","","","0.0735","0.074","","","","","","1.043","","","","has coordinates","306181","2026-06-03","22:54:34",""
"7721076","10.8466","0.0001","12.4844","0.0002","15.0059","0.0002","90","","106.481","0.001","90","","1948.51","0.05","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","cis-1-methyl-10-(perfluorophenyl)-5-phenyl-5,10-dihydrobenzo[d]imidazo [1,2-a][1,3]azaborinin-1-ium-10-uide","cis-1-methyl-10-(perfluorophenyl)-5-phenyl-5,10-dihydrobenzo[d]imidazo [1,2-a][1,3]azaborinin-1-ium-10-uide","","- C23 H16 B F5 N2 -","- C23 H16 B F5 N2 -","- C92 H64 B4 F20 N8 -","4","1","","Niessen, Nicolas; Adjieufack, Abel Idrice; Tumanov, Nikolay; Wouters, Johan; Champagne, Benoît; Berionni, Guillaume; Bijouard, Kajetan","Accessing chiral NHC-boranes by abstraction of C6F5 from the B(C6F5)4− weakly coordinating anion","Dalton Transactions","2026","","","","","10.1039/D5DT02919H","","","1.54178","CuKα","","0.0357","0.0349","","","0.0896","0.0905","","","","","","1.055","","","","has coordinates","306181","2026-06-03","22:54:34",""
"7721077","18.9217","0.0017","5.1866","0.0004","10.7568","0.0009","90","","109.601","0.003","90","","994.49","0.15","301","","298","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Ga Li3 O11 Te4 -","- Ga Li3 O11 Te4 -","- Ga4 Li12 O44 Te16 -","4","0.5","","Zhou, Jingfang; Gong, Pifu; Gao, Chang; Xia, Mingjun; Yu, Jing; Zhang, Hongxia; Wu, Qian","Li<sub>3</sub>GaTe<sub>4</sub>O<sub>11</sub>: small ion-driven orientation of TeO<sub><i>n</i></sub> units in a tunnel-structured tellurite.","Dalton transactions (Cambridge, England : 2003)","2026","55","17","6811","6817","10.1039/d6dt00583g","","","0.71073","MoKα","","0.0251","0.0229","","","0.0491","0.0508","","","","","","1.147","","","","has coordinates","306209","2026-06-04","16:57:20",""
"7721078","10.3923","0.0004","10.9758","0.0004","13.5542","0.0005","75.4","0.002","73.024","0.002","75.369","0.001","1403.92","0.09","200","","200","","","","","","","","","6","P -1","-P 1","2","","","","- C25 H42 Cl2 Dy N3 O -","- C25 H42 Cl2 Dy N3 O -","- C50 H84 Cl4 Dy2 N6 O2 -","2","1","","Kong, Yin-Cong; Yang, Zi; Liu, Yi; Wang, Chen; Sun, Rong; Sun, Zheng; Wang, Bing-Wu; Gao, Song","A dysprosium alkylidene single molecule magnet.","Dalton transactions (Cambridge, England : 2003)","2026","55","19","7492","7496","10.1039/d6dt00641h","","","1.34138","GaKα","","0.046","0.043","","","0.1109","0.1142","","","","","","1.08","","","","has coordinates","306210","2026-06-04","16:58:32",""
"7721079","12.6239","0.0002","11.4942","0.0002","31.4518","0.0005","90","","94.681","0.002","90","","4548.49","0.13","293","","293","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C37 H53 Dy N3 P Se Si -","- C37 H53 Dy N3 P Se Si -","- C148 H212 Dy4 N12 P4 Se4 Si4 -","4","1","","Kong, Yin-Cong; Yang, Zi; Liu, Yi; Wang, Chen; Sun, Rong; Sun, Zheng; Wang, Bing-Wu; Gao, Song","A dysprosium alkylidene single molecule magnet.","Dalton transactions (Cambridge, England : 2003)","2026","55","19","7492","7496","10.1039/d6dt00641h","","","0.71073","MoKα","","0.0496","0.0364","","","0.065","0.0677","","","","","","1.042","","","","has coordinates,has disorder","306210","2026-06-04","16:58:32",""
"7721080","12.0201","0.0003","12.9019","0.0004","16.994","0.0005","108.36","0.001","95.009","0.001","110.014","0.001","2293.31","0.12","200","","200","","","","","","","","","8","P -1","-P 1","2","","","","- C37 H54 Cl Dy N3 P Se Si -","- C37 H54 Cl Dy N3 P Se Si -","- C74 H108 Cl2 Dy2 N6 P2 Se2 Si2 -","2","1","","Kong, Yin-Cong; Yang, Zi; Liu, Yi; Wang, Chen; Sun, Rong; Sun, Zheng; Wang, Bing-Wu; Gao, Song","A dysprosium alkylidene single molecule magnet.","Dalton transactions (Cambridge, England : 2003)","2026","55","19","7492","7496","10.1039/d6dt00641h","","x-ray","1.34138","GaKα","","0.0357","0.0353","","","0.0986","0.099","","","","","","1.034","","","","has coordinates","306210","2026-06-04","16:58:32",""
"7721081","13.0291","0.0006","7.9646","0.0004","7.0077","0.0003","90","","90","","90","","727.2","0.06","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","Cd3PCl3","[Cd2P][CdCl3]","","- Cd3 Cl3 P -","- Cd3 Cl3 P -","- Cd12 Cl12 P4 -","4","0.5","","Wang, Fupeng; Peng, Guang; Ye, Ning; Chen, Jindong","[Cd<sub>4</sub>P<sub>2</sub>][I<sub>3</sub>] and [Cd<sub>2</sub>P][CdCl<sub>3</sub>]: two Millon's phase phosphides exhibiting wide band gaps and large birefringence.","Dalton transactions (Cambridge, England : 2003)","2026","55","19","7480","7486","10.1039/d6dt00660d","","","0.71073","MoKα","","0.0315","0.0237","","","0.0481","0.0512","","","","","","1.089","","","","has coordinates","306211","2026-06-04","16:59:32",""
"7721082","12.7104","0.0004","12.6393","0.0003","12.867","0.0004","90","","90","","90","","2067.09","0.1","273","2","273","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","[Cd4P2][I3]","","- Cd4 I3 P2 -","- Cd4 I3 P2 -","- Cd32 I24 P16 -","8","1","","Wang, Fupeng; Peng, Guang; Ye, Ning; Chen, Jindong","[Cd<sub>4</sub>P<sub>2</sub>][I<sub>3</sub>] and [Cd<sub>2</sub>P][CdCl<sub>3</sub>]: two Millon's phase phosphides exhibiting wide band gaps and large birefringence.","Dalton transactions (Cambridge, England : 2003)","2026","55","19","7480","7486","10.1039/d6dt00660d","","","0.71073","MoKα","","0.0359","0.032","","","0.0766","0.0784","","","","","","1.135","","","","has coordinates","306211","2026-06-04","16:59:32",""
"7721083","8.7981","0.0005","19.7102","0.0012","14.1522","0.0009","90","","91.156","0.001","90","","2453.7","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H30 Cl2 Si Zr -","- C28 H30 Cl2 Si Zr -","- C112 H120 Cl8 Si4 Zr4 -","4","1","","Samsonov, Oleg V.; Sharikov, Mikhail I.; Urintsev, Danil I.; Kulyabin, Pavel S.; Goryunov, Georgy P.; Uborsky, Dmitry V.; Canich, Jo Ann M.; Voskoboynikov, Alexander Z.","Cyclopropyl <i>vs.</i> isopropyl in zirconocenes: unexpected catalytic performance in propylene polymerization.","Dalton transactions (Cambridge, England : 2003)","2026","55","20","7910","7917","10.1039/d6dt00758a","","","0.71073","MoKα","","0.0407","0.0358","","","0.0882","0.0919","","","","","","1.005","","","","has coordinates,has disorder","306212","2026-06-04","16:59:47",""
"7721084","23.8232","0.0005","14.6364","0.0004","9.6812","0.0003","90","","90","","90","","3375.7","0.16","100","2","100.15","","","","","","","","","5","C c c 2","C 2 -2c","37","","","","- C39 H36 Cl4 Si Zr -","- C39 H36 Cl4 Si Zr -","- C156 H144 Cl16 Si4 Zr4 -","4","0.5","","Samsonov, Oleg V.; Sharikov, Mikhail I.; Urintsev, Danil I.; Kulyabin, Pavel S.; Goryunov, Georgy P.; Uborsky, Dmitry V.; Canich, Jo Ann M.; Voskoboynikov, Alexander Z.","Cyclopropyl <i>vs.</i> isopropyl in zirconocenes: unexpected catalytic performance in propylene polymerization.","Dalton transactions (Cambridge, England : 2003)","2026","55","20","7910","7917","10.1039/d6dt00758a","","","0.71073","MoKα","","0.0338","0.0269","","","0.0638","0.0668","","","","","","1.034","","","","has coordinates","306212","2026-06-04","16:59:47",""
"7721085","21.3414","0.0011","11.5792","0.0006","12.9982","0.0006","90","","99.303","0.001","90","","3169.8","0.3","100","2","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","sql-1-Fe-NCS?2MB","","","- C36 H32 Fe N6 S2 -","- C36 H32 Fe N6 S2 -","- C144 H128 Fe4 N24 S8 -","4","0.5","","Wang, Shi-Qiang; Darwish, Shaza; Xu, Shan; Wang, Rong; Zaworotko, Michael J.","Aromatic guest-induced layer expansion and phase switching in a 2D square lattice coordination network.","Dalton transactions (Cambridge, England : 2003)","2026","55","20","8033","8039","10.1039/d6dt00929h","","","0.71073","MoKα","","0.1032","0.0879","","","0.2224","0.235","","","","","","1.033","","","","has coordinates","306213","2026-06-04","16:59:58",""
"7721086","11.4865","0.0005","11.5252","0.0006","17.5412","0.0009","77.04","0.002","86.422","0.002","88.358","0.002","2258.36","0.19","100","2","100","","","","","","","","","5","P -1","-P 1","2","sql-1-Co-NCS?3TMB","","","- C49 H52 Co N6 S2 -","- C49 H52 Co N6 S2 -","- C98 H104 Co2 N12 S4 -","2","1","","Wang, Shi-Qiang; Darwish, Shaza; Xu, Shan; Wang, Rong; Zaworotko, Michael J.","Aromatic guest-induced layer expansion and phase switching in a 2D square lattice coordination network.","Dalton transactions (Cambridge, England : 2003)","2026","55","20","8033","8039","10.1039/d6dt00929h","","","0.71073","MoKα","","0.1535","0.072","","","0.1582","0.1818","","","","","","1.006","","","","has coordinates,has disorder","306213","2026-06-04","16:59:58",""
"7721087","22.496","0.004","11.5","0.002","13.512","0.003","90","","105.196","0.009","90","","3373.4","1.1","273.15","","273.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","sql-1-Co-NCS?2NB","","","- C34 H26 Co N8 O4 S2 -","- C34 H26 Co N8 O4 S2 -","- C136 H104 Co4 N32 O16 S8 -","4","0.5","","Wang, Shi-Qiang; Darwish, Shaza; Xu, Shan; Wang, Rong; Zaworotko, Michael J.","Aromatic guest-induced layer expansion and phase switching in a 2D square lattice coordination network.","Dalton transactions (Cambridge, England : 2003)","2026","55","20","8033","8039","10.1039/d6dt00929h","","","1.54178","CuKα","","0.0511","0.0451","","","0.1334","0.138","","","","","","1.064","","","","has coordinates","306213","2026-06-04","16:59:58",""
"7721088","8.931","0.0002","8.931","0.0002","5.4519","0.0001","90","","90","","120","","376.599","0.014","100","2","100","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Ti3Mn3Sn4Ga","","- Ga Mn3 Sn4 Ti3 -","- Ga Mn3 Sn4 Ti3 -","- Ga2 Mn6 Sn8 Ti6 -","2","0.0833333","","Khalaniya, Roman A.; Lyssenko, Konstantin A.; Shakhmukhametova, Iasmin A.; Shuyev, Nikita; Mironov, Andrei V.; Kulchu, Aleksandr N.; Polevik, Alexey O.; Samarin, Alexander N.; Bogach, Alexey V.; Shevelkov, Andrei V.","Completing the triad: synthesis, structure, and magnetic properties of kagome metals Ti<sub>3</sub>Mn<sub>3</sub>Sn<sub>4</sub>Ga and Hf<sub>3</sub>Mn<sub>3</sub>Sn<sub>4</sub>Ga.","Dalton transactions (Cambridge, England : 2003)","2026","55","20","8008","8015","10.1039/d6dt00557h","","","0.71073","MoKα","","0.0194","0.0194","","","0.0444","0.0444","","","","","","1.345","","","","has coordinates","306214","2026-06-04","17:00:53",""
"7721089","9.1388","0.0005","9.1388","0.0005","5.5634","0.0003","90","","90","","120","","402.39","0.04","100","2","100","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Hf3Mn3Sn4Ga","","- Ga Hf3 Mn3 Sn4 -","- Ga Hf3 Mn3 Sn4 -","- Ga2 Hf6 Mn6 Sn8 -","2","0.0833333","","Khalaniya, Roman A.; Lyssenko, Konstantin A.; Shakhmukhametova, Iasmin A.; Shuyev, Nikita; Mironov, Andrei V.; Kulchu, Aleksandr N.; Polevik, Alexey O.; Samarin, Alexander N.; Bogach, Alexey V.; Shevelkov, Andrei V.","Completing the triad: synthesis, structure, and magnetic properties of kagome metals Ti<sub>3</sub>Mn<sub>3</sub>Sn<sub>4</sub>Ga and Hf<sub>3</sub>Mn<sub>3</sub>Sn<sub>4</sub>Ga.","Dalton transactions (Cambridge, England : 2003)","2026","55","20","8008","8015","10.1039/d6dt00557h","","","0.71073","MoKα","","0.0241","0.0237","","","0.0459","0.0461","","","","","","1.339","","","","has coordinates","306214","2026-06-04","17:00:53",""
"7721090","18.55","0.003","9.2337","0.0015","11.9729","0.0018","90","","100.272","0.006","90","","2017.9","0.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Acetamidinium lead bromide","Acetamidinium bromoplumbate","","- C6 H21 Br5 N6 Pb -","- C6 H21 Br5 N6 Pb -","- C24 H84 Br20 N24 Pb4 -","4","1","","Wang, Huanzhou; Petrov, Andrey A.; Petrov, Andrey V.; Li, Mingming; Fateev, Sergey A.","Crystal structure and properties of acetamidinium lead bromide: a new member of the A<sub>3</sub>PbBr<sub>5</sub> halide family.","Dalton transactions (Cambridge, England : 2003)","2026","55","20","7918","7925","10.1039/d6dt00721j","","x-ray","0.71073","MoKα","","0.0648","0.0424","","","0.1116","0.1222","","","","","","1.069","","","","has coordinates","306215","2026-06-04","17:01:00",""
"7721091","18.9112","0.0013","9.0412","0.0006","11.7688","0.0008","90","","100.974","0.003","90","","1975.4","0.2","100","0.2","100","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Acetamidinium bromoplumbate","","- C6 H21 Br5 N6 Pb -","- C6 H21 Br5 N6 Pb -","- C24 H84 Br20 N24 Pb4 -","4","1","","Wang, Huanzhou; Petrov, Andrey A.; Petrov, Andrey V.; Li, Mingming; Fateev, Sergey A.","Crystal structure and properties of acetamidinium lead bromide: a new member of the A<sub>3</sub>PbBr<sub>5</sub> halide family.","Dalton transactions (Cambridge, England : 2003)","2026","55","20","7918","7925","10.1039/d6dt00721j","","x-ray","0.71073","MoKα","","0.0428","0.0368","","","0.0963","0.0997","","","","","","1.053","","","","has coordinates","306215","2026-06-04","17:01:00",""
"7721092","13.9278","0.0011","13.0752","0.001","26.608","0.002","90","","99.948","0.003","90","","4772.7","0.6","100","","100","","","","","","","","","6","C 1 c 1","C -2yc","9","1","[1,4-nap(PMePh2)2][Pt(CN)2(Me-phpy)][I]?2MeCN","","- C54 H48 I N5 P2 Pt -","- C54 H48 I N5 P2 Pt -","- C216 H192 I4 N20 P8 Pt4 -","4","1","","Glosz, Dorota; Calvez, Guillaume; Eskelinen, Toni; Belyaev, Andrey; Lescop, Christophe; Koshevoy, Igor O.; Podgajny, Robert","Anion(I<sup>-</sup>)-π(bisphosphonium)<sup>2+</sup> photoluminescence enhanced by [Pt(CN)<sub>2</sub>(Me-phpy)]<sup/>.","Dalton transactions (Cambridge, England : 2003)","2026","55","18","7142","7148","10.1039/d6dt00592f","","","0.71073","MoKα","","0.0232","0.0228","","","0.0508","0.051","","","","","","1.074","","","","has coordinates","306216","2026-06-04","17:01:25",""
"7721093","4.8688","0.0003","22.4405","0.0012","13.4798","0.0008","90","","90","","90","","1472.78","0.15","297.13","0.1","297.28","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H17 N3 O4 -","- C15 H17 N3 O4 -","- C60 H68 N12 O16 -","4","1","","Panja, Anangamohan; Jana, Narayan Ch; Aravena, Daniel; Jagličić, Zvonko","Tuning magnetic exchange and relaxation dynamics in dinuclear Dy(III) single-molecule magnets <i>via</i> co-ligand modulation on a hydrazone-based Schiff base platform.","Dalton transactions (Cambridge, England : 2003)","2026","55","18","7329","7341","10.1039/d6dt00433d","","","1.54184","CuKα","","0.0502","0.0462","","","0.1385","0.143","","","","","","1.111","","","","has coordinates","306217","2026-06-04","17:02:04",""
"7721094","9.7706","0.0001","24.2648","0.0003","11.3073","0.0001","90","","94.67","0.001","90","","2671.85","0.05","212","7","212.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H54 Dy2 N8 O20 -","- C48 H54 Dy2 N8 O20 -","- C96 H108 Dy4 N16 O40 -","2","0.5","","Panja, Anangamohan; Jana, Narayan Ch; Aravena, Daniel; Jagličić, Zvonko","Tuning magnetic exchange and relaxation dynamics in dinuclear Dy(III) single-molecule magnets <i>via</i> co-ligand modulation on a hydrazone-based Schiff base platform.","Dalton transactions (Cambridge, England : 2003)","2026","55","18","7329","7341","10.1039/d6dt00433d","","","1.54184","CuKα","","0.0314","0.028","","","0.0695","0.0712","","","","","","1.054","","","","has coordinates,has disorder","306217","2026-06-04","17:02:04",""
"7721095","12.1106","0.0008","25.9428","0.0018","16.7328","0.0011","90","","99.142","0.002","90","","5190.4","0.6","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C43 H46 Cl3 N8 O14 Th -","- C43 H46 Cl3 N8 O14 Th -","- C172 H184 Cl12 N32 O56 Th4 -","4","1","","Gutorova, Svetlana; Matveev, Petr I.; Evsiunina, Mariia V.; Wang, Qiushi; Lemport, Pavel S.; Kalle, Paulina; Koshelev, Daniil S.; Utochnikova, Valentina V.; Averin, Alexey A.; Poliakova, Tatiana R.; Gerasimov, Mikhail A.; Petrov, Vladimir G.; Ustynyuk, Yuri; Kalmykov, Stepan; Nenajdenko, Valentine","Competitive Coordination of Uranium(VI) and Thorium(IV) by Tetradentate Phenanthroline Ligands: Structural and Spectroscopic Investigation of U(VI)-Th(IV) Mixed Ion Pair Formation","Dalton Transactions","2026","","","","","10.1039/D6DT00392C","","","0.71073","MoKα","","0.0731","0.0426","","","0.0766","0.0836","","","","","","1.028","","","","has coordinates","306222","2026-06-04","23:35:36",""
"7721096","16.5634","0.0007","17.5931","0.0007","20.1553","0.0008","65.578","0.001","75.771","0.001","62.986","0.001","4752.1","0.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C37.5 H37 Cl3.5 N10.5 O14.5 Th -","- C35 H32.5 Cl2 N9.5 O14 Th -","- C140 H130 Cl8 N38 O56 Th4 -","4","2","","Gutorova, Svetlana; Matveev, Petr I.; Evsiunina, Mariia V.; Wang, Qiushi; Lemport, Pavel S.; Kalle, Paulina; Koshelev, Daniil S.; Utochnikova, Valentina V.; Averin, Alexey A.; Poliakova, Tatiana R.; Gerasimov, Mikhail A.; Petrov, Vladimir G.; Ustynyuk, Yuri; Kalmykov, Stepan; Nenajdenko, Valentine","Competitive Coordination of Uranium(VI) and Thorium(IV) by Tetradentate Phenanthroline Ligands: Structural and Spectroscopic Investigation of U(VI)-Th(IV) Mixed Ion Pair Formation","Dalton Transactions","2026","","","","","10.1039/D6DT00392C","","","0.71073","MoKα","","0.06","0.0399","","","0.0755","0.0805","","","","","","0.979","","","","has coordinates,has disorder","306222","2026-06-04","23:35:36",""
"7721097","13.3179","0.0005","10.8403","0.0004","31.2259","0.0011","90","","90.384","0.001","90","","4508","0.3","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C68 H56 Cl4 N16 O32 Th U2 -","- C68 H56 Cl4 N16 O32 Th U2 -","- C136 H112 Cl8 N32 O64 Th2 U4 -","2","0.5","","Gutorova, Svetlana; Matveev, Petr I.; Evsiunina, Mariia V.; Wang, Qiushi; Lemport, Pavel S.; Kalle, Paulina; Koshelev, Daniil S.; Utochnikova, Valentina V.; Averin, Alexey A.; Poliakova, Tatiana R.; Gerasimov, Mikhail A.; Petrov, Vladimir G.; Ustynyuk, Yuri; Kalmykov, Stepan; Nenajdenko, Valentine","Competitive Coordination of Uranium(VI) and Thorium(IV) by Tetradentate Phenanthroline Ligands: Structural and Spectroscopic Investigation of U(VI)-Th(IV) Mixed Ion Pair Formation","Dalton Transactions","2026","","","","","10.1039/D6DT00392C","","","0.71073","MoKα","","0.0416","0.0325","","","0.0702","0.0731","","","","","","1.051","","","","has coordinates","306222","2026-06-04","23:35:36",""
"7721098","31.6621","0.0012","19.803","0.0008","32.2455","0.0011","90","","93.924","0.001","90","","20170.7","1.3","100","","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C74 H96 Cl4 N16 O32 Th U2 -","- C74 H96 Cl4 N16 O32 Th U2 -","- C592 H768 Cl32 N128 O256 Th8 U16 -","8","1","","Gutorova, Svetlana; Matveev, Petr I.; Evsiunina, Mariia V.; Wang, Qiushi; Lemport, Pavel S.; Kalle, Paulina; Koshelev, Daniil S.; Utochnikova, Valentina V.; Averin, Alexey A.; Poliakova, Tatiana R.; Gerasimov, Mikhail A.; Petrov, Vladimir G.; Ustynyuk, Yuri; Kalmykov, Stepan; Nenajdenko, Valentine","Competitive Coordination of Uranium(VI) and Thorium(IV) by Tetradentate Phenanthroline Ligands: Structural and Spectroscopic Investigation of U(VI)-Th(IV) Mixed Ion Pair Formation","Dalton Transactions","2026","","","","","10.1039/D6DT00392C","","","0.71073","MoKα","","0.0728","0.0486","","","0.1077","0.1172","","","","","","1.039","","","","has coordinates,has disorder","306222","2026-06-04","23:35:36",""
"7721099","13.0013","0.0004","10.9427","0.0003","28.4236","0.0009","90","","101.273","0.001","90","","3965.8","0.2","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H36 N9 O15.5 Th -","- C34 H33 N9 O14 Th -","- C136 H132 N36 O56 Th4 -","4","1","","Gutorova, Svetlana; Matveev, Petr I.; Evsiunina, Mariia V.; Wang, Qiushi; Lemport, Pavel S.; Kalle, Paulina; Koshelev, Daniil S.; Utochnikova, Valentina V.; Averin, Alexey A.; Poliakova, Tatiana R.; Gerasimov, Mikhail A.; Petrov, Vladimir G.; Ustynyuk, Yuri; Kalmykov, Stepan; Nenajdenko, Valentine","Competitive Coordination of Uranium(VI) and Thorium(IV) by Tetradentate Phenanthroline Ligands: Structural and Spectroscopic Investigation of U(VI)-Th(IV) Mixed Ion Pair Formation","Dalton Transactions","2026","","","","","10.1039/D6DT00392C","","","0.71073","MoKα","","0.0465","0.0369","","","0.0896","0.0925","","","","","","1.132","","","","has coordinates,has disorder","306222","2026-06-04","23:35:36",""
"7721100","16.0546","0.0016","16.1875","0.0014","18.9986","0.0019","90","","112.367","0.003","90","","4566","0.8","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H40 Cl2 N8 O18 U2 -","- C30 H40 Cl2 N8 O18 U2 -","- C120 H160 Cl8 N32 O72 U8 -","4","1","","Gutorova, Svetlana; Matveev, Petr I.; Evsiunina, Mariia V.; Wang, Qiushi; Lemport, Pavel S.; Kalle, Paulina; Koshelev, Daniil S.; Utochnikova, Valentina V.; Averin, Alexey A.; Poliakova, Tatiana R.; Gerasimov, Mikhail A.; Petrov, Vladimir G.; Ustynyuk, Yuri; Kalmykov, Stepan; Nenajdenko, Valentine","Competitive Coordination of Uranium(VI) and Thorium(IV) by Tetradentate Phenanthroline Ligands: Structural and Spectroscopic Investigation of U(VI)-Th(IV) Mixed Ion Pair Formation","Dalton Transactions","2026","","","","","10.1039/D6DT00392C","","","0.71073","MoKα","","0.0995","0.0777","","","0.2096","0.2336","","","","","","1.025","","","","has coordinates,has disorder","306222","2026-06-04","23:35:36",""
"7721101","61.956","0.003","43.506","0.002","46.899","0.004","90","","125.466","0.0013","90","","102960","11","150","","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","cage","","- C348.5 H478.5 Cl8 Fe4 N69.5 O81.5 -","- C216 H156 Cl4 Fe4 N52 O28 -","- C1728 H1248 Cl32 Fe32 N416 O224 -","8","1","","Zhang, Junhao; Shi, Youpeng; Wu, Yuchen; Yang, Fengyu; Jing, Xu; Duan, Chunying","A Dye-loaded Fe4L4 Cage for Efficient Photocatalytic C(sp3)-H Activation","Dalton Transactions","2026","","","","","10.1039/D6DT00729E","","","1.34139","GaKα","","0.164","0.1256","","","0.2262","0.2436","","","","","","1.061","","","","has coordinates","306223","2026-06-04","23:36:03",""
"7721102","9.568","0.0003","9.568","0.0003","15.81","0.0004","90","","90","","120","","1253.44","0.06","300","2","300","2","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- B Ca0.5 H6 Mn O11 P2 -","- B Ca0.5 H6 Mn O11 P2 -","- B6 Ca3 H36 Mn6 O66 P12 -","6","1","","Wessels, Vivien; Mikuta, Martina; Höppe, Henning A.","Weakly Coordinating Borophosphates – Ca0.5M(H2O)2[B(PO4)2]•H2O (M = Mg, Mn, Co, Zn, Cd)","Dalton Transactions","2026","","","","","10.1039/D6DT00484A","","","0.71073","MoKα","","0.0301","0.0261","","","0.0638","0.065","","","","","","1.09","","","","has coordinates","306224","2026-06-04","23:36:20",""
"7721103","9.4653","0.0002","9.4653","0.0002","15.5902","0.0003","90","","90","","120","","1209.63","0.04","300","2","300","2","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- B1.5 Ca0.75 H9 O16.5 P3 Zn1.5 -","- B1.5 Ca0.75 H9 O16.5 P3 Zn1.5 -","- B6 Ca3 H36 O66 P12 Zn6 -","4","0.666667","","Wessels, Vivien; Mikuta, Martina; Höppe, Henning A.","Weakly Coordinating Borophosphates – Ca0.5M(H2O)2[B(PO4)2]•H2O (M = Mg, Mn, Co, Zn, Cd)","Dalton Transactions","2026","","","","","10.1039/D6DT00484A","","","0.71073","MoKα","","0.0236","0.0233","","","0.0631","0.0633","","","","","","1.109","","","","has coordinates","306224","2026-06-04","23:36:20",""
"7721104","9.4547","0.0006","9.4547","0.0006","15.7077","0.001","90","","90","","120","","1216.01","0.13","300","2","300","2","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- B1.5 Ca0.75 Co1.5 H9 O16.5 P3 -","- B1.5 Ca0.75 Co1.5 H9 O16.5 P3 -","- B6 Ca3 Co6 H36 O66 P12 -","4","0.666667","","Wessels, Vivien; Mikuta, Martina; Höppe, Henning A.","Weakly Coordinating Borophosphates – Ca0.5M(H2O)2[B(PO4)2]•H2O (M = Mg, Mn, Co, Zn, Cd)","Dalton Transactions","2026","","","","","10.1039/D6DT00484A","","","0.71073","MoKα","","0.0261","0.0213","","","0.0542","0.0547","","","","","","1.014","","","","has coordinates","306224","2026-06-04","23:36:20",""
"7721105","9.679","0.002","9.679","0.002","15.927","0.003","90","","90","","120","","1292.2","0.4","300","2","300","2","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- B Ca0.5 Cd H6 O11 P2 -","- B Ca0.5 Cd H6 O11 P2 -","- B6 Ca3 Cd6 H36 O66 P12 -","6","1","","Wessels, Vivien; Mikuta, Martina; Höppe, Henning A.","Weakly Coordinating Borophosphates – Ca0.5M(H2O)2[B(PO4)2]•H2O (M = Mg, Mn, Co, Zn, Cd)","Dalton Transactions","2026","","","","","10.1039/D6DT00484A","","","0.71073","MoKα","","0.0687","0.0277","","","0.0444","0.0463","","","","","","0.947","","","","has coordinates","306224","2026-06-04","23:36:20",""
"7721106","9.4505","0.0007","9.4505","0.0007","15.7298","0.0013","90","","90","","120","","1216.64","0.16","300","2","300","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- B1.5 Ca0.75 H9 Mg1.5 O16.5 P3 -","- B1.5 Ca0.75 H9 Mg1.5 O16.5 P3 -","- B6 Ca3 H36 Mg6 O66 P12 -","4","0.666667","","Wessels, Vivien; Mikuta, Martina; Höppe, Henning A.","Weakly Coordinating Borophosphates – Ca0.5M(H2O)2[B(PO4)2]•H2O (M = Mg, Mn, Co, Zn, Cd)","Dalton Transactions","2026","","","","","10.1039/D6DT00484A","","","0.71073","MoKα","","0.0357","0.0285","","","0.0687","0.0697","","","","","","1.04","","","","has coordinates","306224","2026-06-04","23:36:20",""
"7721107","17.159","0.004","10.599","0.003","10.619","0.003","106.1","0.02","90.51","0.02","107.93","0.02","1756","0.9","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H18 Br2 Cu2 N2 O8 S -","- C18 H18 Br2 Cu2 N2 O8 S -","- C36 H36 Br4 Cu4 N4 O16 S2 -","2","1","","Yardan, Alper","A Ligand in the Metal Salt Sea: Extreme Metal-to-Ligand Ratios and the Thermodynamic Driving Force of the Halogen Bond","Dalton Transactions","2026","","","","","10.1039/D6DT00722H","powder diffraction","","1.5406","","","","","","","","","","","8.22","","","","","","","has coordinates","306516","2026-06-05","23:15:45",""
"7721108","19.458","0.004","14.756","0.003","11.538","0.003","108.61","0.02","109.18","0.02","101.57","0.02","2787.4","1.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H20 Br2 Co N2 O4 -","- C18 H20 Br2 Co N2 O4 -","- C36 H40 Br4 Co2 N4 O8 -","2","1","","Yardan, Alper","A Ligand in the Metal Salt Sea: Extreme Metal-to-Ligand Ratios and the Thermodynamic Driving Force of the Halogen Bond","Dalton Transactions","2026","","","","","10.1039/D6DT00722H","powder diffraction","","1.5406","CuKα","","","","","","","","","","2.161","","","","","","","has coordinates","306516","2026-06-05","23:15:45",""
"7721109","13.709","0.004","11.736","0.003","6.053","0.002","103.06","0.03","99.84","0.02","95.33","0.03","925.9","0.5","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C9 H13 Br Cl Mn N O4 -","- C9 H13 Br Cl Mn N O4 -","- C18 H26 Br2 Cl2 Mn2 N2 O8 -","2","1","","Yardan, Alper","A Ligand in the Metal Salt Sea: Extreme Metal-to-Ligand Ratios and the Thermodynamic Driving Force of the Halogen Bond","Dalton Transactions","2026","","","","","10.1039/D6DT00722H","powder diffraction","","1.5406","","","","","","","","","","0.0868","1.529","","","","","","","has coordinates","306516","2026-06-05","23:15:45",""
"7721110","11.111","0.004","10.209","0.003","7.45","0.002","89.93","0.02","93.63","0.02","68.89","0.03","786.5","0.5","298","","298","","","","","","","","","6","P 1","P 1","1","","","","- C18 H18 Br2 Cd2 N4 O10 -","- C18 H18 Br2 Cd2 N4 O10 -","- C18 H18 Br2 Cd2 N4 O10 -","1","1","","Yardan, Alper","A Ligand in the Metal Salt Sea: Extreme Metal-to-Ligand Ratios and the Thermodynamic Driving Force of the Halogen Bond","Dalton Transactions","2026","","","","","10.1039/D6DT00722H","powder diffraction","","1.5406","","","","","","","","","","","1.47","","","","","","","has coordinates","306516","2026-06-05","23:15:45",""
"7721111","11.122","0.005","10.569","0.004","6.673","0.002","94.65","0.03","100.52","0.02","76.57","0.05","749.5","0.5","298","","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C9 H9 Br Cu N2 O5 -","- C9 H9 Br Cu N2 O5 -","- C18 H18 Br2 Cu2 N4 O10 -","2","1","","Yardan, Alper","A Ligand in the Metal Salt Sea: Extreme Metal-to-Ligand Ratios and the Thermodynamic Driving Force of the Halogen Bond","Dalton Transactions","2026","","","","","10.1039/D6DT00722H","powder diffraction","","1.5406","CuKα","","","","","","","","","","2.76","","","","","","","has coordinates","306516","2026-06-05","23:15:45",""
"7721112","5.6408","0.0001","9.3444","0.0003","15.6537","0.0004","72.66","0.002","82.131","0.002","87.333","0.002","780.18","0.04","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C17 H17 N3 O S -","- C17 H17 N3 O S -","- C34 H34 N6 O2 S2 -","2","1","","Manimuthu, Akilesh; Bhuvanesh, Nattamai; Nallasamy, Professor Dr. Dharmaraj","Organoruthenium(II) complexes appended with racemic pyrazoline ligands: An integrated experimental and theoretical insights revealing their apoptotic efficacy","Dalton Transactions","2026","","","","","10.1039/D6DT00737F","","x-ray","1.54184","CuKα","","0.0303","0.0302","","","0.0747","0.0747","","","","","","1.054","","","","has coordinates","306554","2026-06-11","22:56:06",""
"7721113","18.78345","0.00009","9.83479","0.00005","32.0414","0.00015","90","","90","","90","","5919.05","0.05","99.98","0.16","99.98","0.16","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C29 H37 Cl2 N3 O2 Ru S -","- C29 H37 Cl2 N3 O2 Ru S -","- C232 H296 Cl16 N24 O16 Ru8 S8 -","8","2","","Manimuthu, Akilesh; Bhuvanesh, Nattamai; Nallasamy, Professor Dr. Dharmaraj","Organoruthenium(II) complexes appended with racemic pyrazoline ligands: An integrated experimental and theoretical insights revealing their apoptotic efficacy","Dalton Transactions","2026","","","","","10.1039/D6DT00737F","","x-ray","1.54184","CuKα","","0.0204","0.0195","","","0.051","0.0517","","","","","","1.045","","","","has coordinates,has disorder","306554","2026-06-11","22:56:06",""
"7721114","16.3491","0.0002","10.3461","0.0001","17.6846","0.0002","90","","102.531","0.001","90","","2920.08","0.06","99.99","0.1","99.99","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H35 Cl2 N3 O2 Ru S -","- C28 H35 Cl2 N3 O2 Ru S -","- C112 H140 Cl8 N12 O8 Ru4 S4 -","4","1","","Manimuthu, Akilesh; Bhuvanesh, Nattamai; Nallasamy, Professor Dr. Dharmaraj","Organoruthenium(II) complexes appended with racemic pyrazoline ligands: An integrated experimental and theoretical insights revealing their apoptotic efficacy","Dalton Transactions","2026","","","","","10.1039/D6DT00737F","","x-ray","1.54184","CuKα","","0.0244","0.0233","","","0.0597","0.0605","","","","","","1.023","","","","has coordinates","306554","2026-06-11","22:56:06",""
"7721115","9.69341","0.00004","16.40926","0.00006","24.07466","0.00009","90","","98.9839","0.0004","90","","3782.38","0.03","99.9","0.3","99.9","0.3","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C33 H35 Cl2 N3 O Ru S -","- C33 H35 Cl2 N3 O Ru S -","- C132 H140 Cl8 N12 O4 Ru4 S4 -","4","1","","Manimuthu, Akilesh; Bhuvanesh, Nattamai; Nallasamy, Professor Dr. Dharmaraj","Organoruthenium(II) complexes appended with racemic pyrazoline ligands: An integrated experimental and theoretical insights revealing their apoptotic efficacy","Dalton Transactions","2026","","","","","10.1039/D6DT00737F","","x-ray","1.54184","CuKα","","0.0244","0.0241","","","0.0648","0.065","","","","","","1.12","","","","has coordinates","306554","2026-06-11","22:56:06",""
"7721116","9.83","0.0002","10.7298","0.0002","14.3576","0.0003","92.752","0.002","105.915","0.002","97.224","0.002","1439.34","0.05","99.9","0.2","99.9","0.2","","","","","","","","7","P -1","-P 1","2","","NDB_250122_Sc_RuC2S1","","- C27 H31 Cl2 N3 O Ru S -","- C27 H31 Cl2 N3 O Ru S -","- C54 H62 Cl4 N6 O2 Ru2 S2 -","2","1","","Manimuthu, Akilesh; Bhuvanesh, Nattamai; Nallasamy, Professor Dr. Dharmaraj","Organoruthenium(II) complexes appended with racemic pyrazoline ligands: An integrated experimental and theoretical insights revealing their apoptotic efficacy","Dalton Transactions","2026","","","","","10.1039/D6DT00737F","","x-ray","1.54184","CuKα","","0.0342","0.0337","","","0.0916","0.0921","","","","","","1.067","","","","has coordinates,has disorder","306554","2026-06-11","22:56:06",""
"7721117","16.6165","0.0003","9.8865","0.0002","33.4534","0.0007","90","","98.428","0.002","90","","5436.34","0.19","170","0.1","170","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H18 Br2 Fe O4 -","- C32 H18 Br2 Fe O4 -","- C256 H144 Br16 Fe8 O32 -","8","2","","Zingales, Esteban; Huertos, Miguel Angel; Sanchez-Cano, Carlos","Tuning the Tetraarylcyclopentadienones from iron tricarbonyl complexes: effects in Transfer Hydrogenation and solubility","Dalton Transactions","2026","","","","","10.1039/D6DT00706F","","x-ray","0.71073","MoKα","","0.0876","0.051","","","0.0829","0.0913","","","","","","1.051","","","","has coordinates","306555","2026-06-11","22:56:38",""
"7721118","14.3855","0.0002","20.509","0.0004","21.9273","0.0004","90","","90","","90","","6469.26","0.19","169.99","0.1","170.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C36 H28 Fe O8 -","- C36 H28 Fe O8 -","- C288 H224 Fe8 O64 -","8","1","","Zingales, Esteban; Huertos, Miguel Angel; Sanchez-Cano, Carlos","Tuning the Tetraarylcyclopentadienones from iron tricarbonyl complexes: effects in Transfer Hydrogenation and solubility","Dalton Transactions","2026","","","","","10.1039/D6DT00706F","","","0.71073","MoKα","","0.0827","0.0499","","","0.1351","0.1637","","","","","","0.909","","","","has coordinates,has disorder","306555","2026-06-11","22:56:38",""
"7721119","17.928","0.002","16.502","0.002","11.366","0.0016","90","","90","","90","","3362.6","0.7","150.15","","150.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","TlI(Me)2(IPr)","","","- C35 H48 I N2 Tl -","- C35 H48 I N2 Tl -","- C140 H192 I4 N8 Tl4 -","4","0.5","","Sharma, Shubham; Ögmundsdóttir, Margrét H; Ogmundsdottir, Helga M.; Sigurdsson, Snorri Th; Damodaran, Krishna K.","Organotin(IV) Compounds with Potent Cytotoxicity, DNA Damage, Cell Cycle Arrest, and Pro-Apoptotic Effects","Dalton Transactions","2026","","","","","10.1039/D6DT00812G","","","0.71073","MoKα","","0.0296","0.0261","","","0.0627","0.0647","","","","","","1.065","","","","has coordinates","306556","2026-06-11","22:56:50",""
"7721120","15.2839","0.0005","28.9544","0.001","18.4627","0.0007","90","","91.341","0.002","90","","8168.2","0.5","150.15","","150.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","[Tl(IPr)2][Al{OC(CF3)3}4]","","","- C70 H72 Al F36 N4 O4 Tl -","- C70 H72 Al F36 N4 O4 Tl -","- C280 H288 Al4 F144 N16 O16 Tl4 -","4","1","","Sharma, Shubham; Ögmundsdóttir, Margrét H; Ogmundsdottir, Helga M.; Sigurdsson, Snorri Th; Damodaran, Krishna K.","Organotin(IV) Compounds with Potent Cytotoxicity, DNA Damage, Cell Cycle Arrest, and Pro-Apoptotic Effects","Dalton Transactions","2026","","","","","10.1039/D6DT00812G","","","0.71073","MoKα","","0.0651","0.0481","","","0.1137","0.1225","","","","","","1.043","","","","has coordinates,has disorder","306556","2026-06-11","22:56:50",""
"7721121","11.92991","0.00014","17.9632","0.0002","17.2334","0.0002","90","","97.0411","0.0011","90","","3665.25","0.07","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H30 Fe3 O4 P2 Se2 -","- C40 H30 Fe3 O4 P2 Se2 -","- C160 H120 Fe12 O16 P8 Se8 -","4","1","","Orton, Georgia; Cockcroft, Jeremy Karl; Ringenberg, Mark R.; Hartl, Frantisek; Hogarth, Graeme","[FeFe]-hydrogenase biomimics incorporating redox-active ligands: Tuning the oxidation chemistry of ferrocene-dichalcogenolate-bridged centres via phosphine substitution","Dalton Transactions","2026","","","","","10.1039/D6DT00946H","","x-ray","1.54184","CuKα","","0.0435","0.0324","","","0.0753","0.0801","","","","","","1.025","","","","has coordinates","306560","2026-06-12","22:54:06",""
"7721122","44.7746","0.0016","9.8242","0.0003","21.6955","0.0008","90","","90.565","0.003","90","","9542.8","0.6","150","1","150","1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C49 H38 Cl2 Fe4 O4 P2 Se2 -","- C49 H38 Cl2 Fe4 O4 P2 Se2 -","- C392 H304 Cl16 Fe32 O32 P16 Se16 -","8","1","","Orton, Georgia; Cockcroft, Jeremy Karl; Ringenberg, Mark R.; Hartl, Frantisek; Hogarth, Graeme","[FeFe]-hydrogenase biomimics incorporating redox-active ligands: Tuning the oxidation chemistry of ferrocene-dichalcogenolate-bridged centres via phosphine substitution","Dalton Transactions","2026","","","","","10.1039/D6DT00946H","","x-ray","1.54184","CuKα","","0.0606","0.0576","","","0.1605","0.1647","","","","","","1.033","","","","has coordinates","306560","2026-06-12","22:54:06",""
"7721123","7.339","0.0004","19.5292","0.001","7.3963","0.0004","90","","99.761","0.002","90","","1044.73","0.1","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H20 Cl6 In2 O5 -","- C10 H20 Cl6 In2 O5 -","- C20 H40 Cl12 In4 O10 -","2","1","","Mayorov, Nikita S.; Egorov, Pavel A.; Medvedev, Alexander G.; Belyaev, Evgeny S.; Filippov, Oleg A.; Belkova, Natalia V.; Mikhaylov, Alexey A.; Sokolov, Maxim N.; Lev, Ovadia; Prikhodchenko, Petr V.","Hydrogen bond enhanced coordination of hydrogen peroxide to indium trichloride","Dalton Transactions","2026","","","","","10.1039/D6DT00780E","","","0.71073","MoKα","","0.0323","0.0298","","","0.0582","0.0589","","","","","","1.171","","","","has coordinates,has disorder","306561","2026-06-12","22:54:22",""
"7721124","7.5464","0.0003","11.0757","0.0004","14.912","0.0006","90","","101.908","0.001","90","","1219.55","0.08","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C12 H26 Cl6 In2 O8 -","- C12 H26 Cl6 In2 O8 -","- C24 H52 Cl12 In4 O16 -","2","1","","Mayorov, Nikita S.; Egorov, Pavel A.; Medvedev, Alexander G.; Belyaev, Evgeny S.; Filippov, Oleg A.; Belkova, Natalia V.; Mikhaylov, Alexey A.; Sokolov, Maxim N.; Lev, Ovadia; Prikhodchenko, Petr V.","Hydrogen bond enhanced coordination of hydrogen peroxide to indium trichloride","Dalton Transactions","2026","","","","","10.1039/D6DT00780E","","","0.71073","MoKα","","0.0231","0.0223","","","0.0459","0.0461","","","","","","1.022","","","","has coordinates","306561","2026-06-12","22:54:22",""
"7721125","9.2794","0.0003","9.9965","0.0003","13.231","0.0004","100.777","0.001","90.093","0.001","117.357","0.001","1065.43","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H30 Cl3 In O10 -","- C12 H30 Cl3 In O10 -","- C24 H60 Cl6 In2 O20 -","2","1","","Mayorov, Nikita S.; Egorov, Pavel A.; Medvedev, Alexander G.; Belyaev, Evgeny S.; Filippov, Oleg A.; Belkova, Natalia V.; Mikhaylov, Alexey A.; Sokolov, Maxim N.; Lev, Ovadia; Prikhodchenko, Petr V.","Hydrogen bond enhanced coordination of hydrogen peroxide to indium trichloride","Dalton Transactions","2026","","","","","10.1039/D6DT00780E","","","0.71073","MoKα","","0.0263","0.0223","","","0.0453","0.0464","","","","","","1.031","","","","has coordinates","306561","2026-06-12","22:54:22",""
"7721126","22.8766","0.0007","9.8123","0.0003","8.5596","0.0003","90","","90","","90","","1921.39","0.11","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C24 H52 Cl6 In2 O15 -","- C24 H52 Cl6 In2 O15 -","- C48 H104 Cl12 In4 O30 -","2","0.5","","Mayorov, Nikita S.; Egorov, Pavel A.; Medvedev, Alexander G.; Belyaev, Evgeny S.; Filippov, Oleg A.; Belkova, Natalia V.; Mikhaylov, Alexey A.; Sokolov, Maxim N.; Lev, Ovadia; Prikhodchenko, Petr V.","Hydrogen bond enhanced coordination of hydrogen peroxide to indium trichloride","Dalton Transactions","2026","","","","","10.1039/D6DT00780E","","","0.71073","MoKα","","0.0392","0.032","","","0.0519","0.0542","","","","","","1.027","","","","has coordinates,has disorder","306561","2026-06-12","22:54:22",""
"7721127","21.8566","0.0014","18.1426","0.0011","14.1932","0.0008","90","","97.734","0.002","90","","5576.9","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H24 Cl3 In O6 -","- C12 H24 Cl3 In O6 -","- C144 H288 Cl36 In12 O72 -","12","3","","Mayorov, Nikita S.; Egorov, Pavel A.; Medvedev, Alexander G.; Belyaev, Evgeny S.; Filippov, Oleg A.; Belkova, Natalia V.; Mikhaylov, Alexey A.; Sokolov, Maxim N.; Lev, Ovadia; Prikhodchenko, Petr V.","Hydrogen bond enhanced coordination of hydrogen peroxide to indium trichloride","Dalton Transactions","2026","","","","","10.1039/D6DT00780E","","","0.71073","MoKα","","0.1589","0.0774","","","0.1889","0.2255","","","","","","1.057","","","","has coordinates,has disorder","306561","2026-06-12","22:54:22",""
"7721128","12.5947","0.0005","14.322","0.0007","17.2535","0.0008","73.089","0.004","76.859","0.004","74.175","0.004","2827.5","0.2","100","2","100","0.2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H53 B2 F8 Fe N15 O -","- C60 H53 B2 F8 Fe N15 O -","- C120 H106 B4 F16 Fe2 N30 O2 -","2","1","","Čierny, Oliver; Sagatova, Alexandra; Orvoš, Jakub; Pavlik, Jan; Moncol, Jan; Nemec, Ivan; Halahovets, Yuriy; Hofbauerová, Monika; Siffalovic, Peter; Micusik, Matej; Meunier, Jean-François; Brachnakova, Barbora; Fischer, Róbert; Michalik, Martin; Salitros, Ivan","Light-Responsive Spin-Crossover Iron(II) Complexes with Azo-Pyridyl-Benzimidazole Ligands for Molecular Thin Films","Dalton Transactions","2026","","","","","10.1039/D6DT00668J","","","1.54184","CuKα","","0.0962","0.0712","","","0.1935","0.2122","","","","","","1.043","","","","has coordinates,has disorder","306562","2026-06-12","22:54:45",""
"7721129","12.947","0.0005","15.0295","0.0006","16.425","0.0007","69.881","0.003","73.152","0.003","82.435","0.003","2870.4","0.2","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C57 H45 Cl2 Fe N15 O9 -","- C57 H45 Cl2 Fe N15 O9 -","- C114 H90 Cl4 Fe2 N30 O18 -","2","1","","Čierny, Oliver; Sagatova, Alexandra; Orvoš, Jakub; Pavlik, Jan; Moncol, Jan; Nemec, Ivan; Halahovets, Yuriy; Hofbauerová, Monika; Siffalovic, Peter; Micusik, Matej; Meunier, Jean-François; Brachnakova, Barbora; Fischer, Róbert; Michalik, Martin; Salitros, Ivan","Light-Responsive Spin-Crossover Iron(II) Complexes with Azo-Pyridyl-Benzimidazole Ligands for Molecular Thin Films","Dalton Transactions","2026","","","","","10.1039/D6DT00668J","","","1.54186","CuKα","","0.162","0.099","","","0.2334","0.2776","","","","","","1.039","","","","has coordinates","306562","2026-06-12","22:54:45",""
"7721130","43.6459","0.0015","7.8087","0.0003","17.2768","0.0006","90","","90","","90","","5888.2","0.4","150","0.1","150","0.1","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C15 H14 Cl N O2 Pt S -","- C15 H14 Cl N O2 Pt S -","- C240 H224 Cl16 N16 O32 Pt16 S16 -","16","1","","Aljagthmi, Amjad; Babgi, Bandar; Iskandrani, Abrar S.; Alezi, Dalal; Ali, Ehab M. M.; jedidi, abdesslem; Al-Rashdi, Kamelah S.; Shkurenko, Aleksander; Eddaoudi, Mohamed","Ligand Design Controls Biomolecule Binding and Cytotoxicity in Platinum(II) Complexes with ONS-Type Tridentate Ligands","Dalton Transactions","2026","","","","","10.1039/D6DT01073C","","","1.54178","CuKα","","0.0418","0.0418","","","0.1078","0.1078","","","","","","1.126","","","","has coordinates","306569","2026-06-15","23:01:03",""
"7721131","17.1412","0.0006","10.6611","0.0004","7.9335","0.0003","90","","93.5663","0.0008","90","","1446.99","0.09","150","0.1","150","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 Br Cl N O Pt S -","- C14 H11 Br Cl N O Pt S -","- C56 H44 Br4 Cl4 N4 O4 Pt4 S4 -","4","1","","Aljagthmi, Amjad; Babgi, Bandar; Iskandrani, Abrar S.; Alezi, Dalal; Ali, Ehab M. M.; jedidi, abdesslem; Al-Rashdi, Kamelah S.; Shkurenko, Aleksander; Eddaoudi, Mohamed","Ligand Design Controls Biomolecule Binding and Cytotoxicity in Platinum(II) Complexes with ONS-Type Tridentate Ligands","Dalton Transactions","2026","","","","","10.1039/D6DT01073C","","","1.54178","CuKα","","0.0279","0.0279","","","0.0706","0.0706","","","","","","1.01","","","","has coordinates","306569","2026-06-15","23:01:03",""
"7721132","10.7118","0.0005","15.5483","0.0008","7.7188","0.0004","90","","96.3744","0.0014","90","","1277.62","0.11","150","0.1","150","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C11 H14 Cl N O2 Pt S -","- C11 H14 Cl N O2 Pt S -","- C44 H56 Cl4 N4 O8 Pt4 S4 -","4","1","","Aljagthmi, Amjad; Babgi, Bandar; Iskandrani, Abrar S.; Alezi, Dalal; Ali, Ehab M. M.; jedidi, abdesslem; Al-Rashdi, Kamelah S.; Shkurenko, Aleksander; Eddaoudi, Mohamed","Ligand Design Controls Biomolecule Binding and Cytotoxicity in Platinum(II) Complexes with ONS-Type Tridentate Ligands","Dalton Transactions","2026","","","","","10.1039/D6DT01073C","","","1.54178","CuKα","","0.0216","0.0213","","","0.0596","0.06","","","","","","1.067","","","","has coordinates","306569","2026-06-15","23:01:03",""
"7721133","26.4752","0.0016","11.1673","0.0007","18.8707","0.001","90","","119.656","0.002","90","","4848.4","0.5","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C45 H77 B K N O10 -","- C45 H77 B K N O10 -","- C180 H308 B4 K4 N4 O40 -","4","1","","Hejda, Martin; Dostál, Libor; Mrózek, Ondřej; R°užička, Aleš; Lyčka, Antonín; Mikysek, Tomas; Jirásko, Robert; Samsonov, Maxim Andreevich","Boron-Targeted H-Atom Transfer Drives Disproportionation of 2,1-Benzazaborolyl Radical Anions Beyond Reversible Gomberg-Krause Dimerization","Dalton Transactions","2026","","","","","10.1039/D6DT01280A","","","0.71073","MoKα","","0.1431","0.1026","","","0.2926","0.3225","","","","","","1.083","","","","has coordinates,has disorder","306570","2026-06-15","23:01:12",""
"7721134","16.2127","0.0001","24.2898","0.0001","25.956","0.0002","90","","90","","90","","10221.6","0.11","150","0.1","150","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C60 H69 B N2 Sr -","- C53 H61 B N2 Sr -","- C424 H488 B8 N16 Sr8 -","8","1","","Hill, Michael; Pearce, Kyle; Liu, Han-Ying; McMullin, Claire Louise","A Strontium Alumanyl","Dalton Transactions","2026","","","","","10.1039/D6DT01406B","","x-ray","1.54184","CuKα","","0.0336","0.0289","","","0.0708","0.0732","","","","","","1.026","","","","has coordinates","306579","2026-06-16","22:55:32",""
"7721135","29.2885","0.0003","14.7255","0.0001","17.5368","0.0001","90","","95.22","0.001","90","","7532.04","0.1","150","0.1","150","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C74 H116 Al2 N4 Si4 Sr -","- C74 H116 Al2 N4 Si4 Sr -","- C296 H464 Al8 N16 Si16 Sr4 -","4","0.5","","Hill, Michael; Pearce, Kyle; Liu, Han-Ying; McMullin, Claire Louise","A Strontium Alumanyl","Dalton Transactions","2026","","","","","10.1039/D6DT01406B","","x-ray","1.54184","CuKα","","0.0834","0.0803","","","0.243","0.2441","","","","","","1.085","","","","has coordinates","306579","2026-06-16","22:55:32",""
"7721136","9.196","0.0004","9.5899","0.0003","18.7926","0.0008","100.66","0.002","97.718","0.002","102.121","0.001","1566.32","0.11","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- Cl4 O3 S Se -","- Cl4 O3 S Se -","- Cl32 O24 S8 Se8 -","8","4","","Langwald, Jan; Burguera Piña, Sergi; Frontera, Antonio; Wickleder, Mathias Siegfried","Chalcogen Bonding vs. Weakly Coordinating Anions – A Solid State Study on Halidoselenium Cations in an Oxoanionic Environment","Dalton Transactions","2026","","","","","10.1039/D6DT01140C","","","0.71073","MoKα","","0.0541","0.0404","","","0.0874","0.0935","","","","","","1.06","","","","has coordinates","306580","2026-06-16","22:55:54",""
"7721137","9.938","0.0012","10.1369","0.0013","10.4593","0.0015","102.28","0.005","97.127","0.005","94.689","0.005","1015.2","0.2","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- I8 O29 S9 Se4 -","- I8 O29 S9 Se4 -","- I8 O29 S9 Se4 -","1","0.5","","Langwald, Jan; Burguera Piña, Sergi; Frontera, Antonio; Wickleder, Mathias Siegfried","Chalcogen Bonding vs. Weakly Coordinating Anions – A Solid State Study on Halidoselenium Cations in an Oxoanionic Environment","Dalton Transactions","2026","","","","","10.1039/D6DT01140C","","","0.71073","MoKα","","0.0465","0.0387","","","0.079","0.0829","","","","","","1.114","","","","has coordinates,has disorder","306580","2026-06-16","22:55:54",""
"7721138","19.6148","0.0009","4.3852","0.0002","28.1888","0.0013","90","","98.249","0.002","90","","2399.57","0.19","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- Cl2 O Se -","- Cl2 O Se -","- Cl48 O24 Se24 -","24","6","","Langwald, Jan; Burguera Piña, Sergi; Frontera, Antonio; Wickleder, Mathias Siegfried","Chalcogen Bonding vs. Weakly Coordinating Anions – A Solid State Study on Halidoselenium Cations in an Oxoanionic Environment","Dalton Transactions","2026","","","","","10.1039/D6DT01140C","","","0.71073","MoKα","","0.0447","0.0341","","","0.0713","0.0761","","","","","","1.079","","","","has coordinates","306580","2026-06-16","22:55:54",""
"7721139","12.0088","0.0004","18.3082","0.0007","8.9012","0.0003","90","","132.218","0.001","90","","1449.35","0.09","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Cl6 O7 S2 Se2 -","- Cl6 O7 S2 Se2 -","- Cl24 O28 S8 Se8 -","4","0.5","","Langwald, Jan; Burguera Piña, Sergi; Frontera, Antonio; Wickleder, Mathias Siegfried","Chalcogen Bonding vs. Weakly Coordinating Anions – A Solid State Study on Halidoselenium Cations in an Oxoanionic Environment","Dalton Transactions","2026","","","","","10.1039/D6DT01140C","","","0.71073","MoKα","","0.0214","0.0156","","","0.0318","0.0331","","","","","","1.0072","","","","has coordinates","306580","2026-06-16","22:55:54",""
"7721140","15.6621","0.0003","16.9239","0.0004","19.0133","0.0004","90","","90","","90","","5039.74","0.19","100.15","","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C37 H56.4 Ce Fe2 N14 O24.7 -","- C37 H56.4 Ce Fe2 N14 O24.7 -","- C148 H225.6 Ce4 Fe8 N56 O98.8 -","4","1","","Diodati, Alexander; Brantley, ChristiAnna L; Peralta, Juan E.; Figueroa, Amelia; Dobrzycki, Lukasz; Abboud, Khalil A.; Christou, George","Novel Fe<sub>4</sub> cluster topology from a new hexadentate chelate: magnetic analysis by experimental, DFT, and magnetostructural correlation methods.","Dalton transactions (Cambridge, England : 2003)","2026","","","","","10.1039/d6dt01053a","","","0.71073","MoKα","","0.0336","0.0312","","","0.0696","0.0709","","","","","","1.089","","","","has coordinates,has disorder","306589","2026-06-17","23:07:14",""
"7721141","11.7185","0.0006","15.6075","0.0008","17.1348","0.0009","64.95","0.002","89.803","0.002","85.457","0.002","2828.6","0.3","100.15","","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C39.45 H48 Fe4 N14 O26.45 -","- C39.45 H48 Fe4 N14 O26.45 -","- C78.9 H96 Fe8 N28 O52.9 -","2","1","","Diodati, Alexander; Brantley, ChristiAnna L; Peralta, Juan E.; Figueroa, Amelia; Dobrzycki, Lukasz; Abboud, Khalil A.; Christou, George","Novel Fe<sub>4</sub> cluster topology from a new hexadentate chelate: magnetic analysis by experimental, DFT, and magnetostructural correlation methods.","Dalton transactions (Cambridge, England : 2003)","2026","","","","","10.1039/d6dt01053a","","","0.71073","MoKα","","0.0639","0.052","","","0.1514","0.1623","","","","","","1.062","","","","has coordinates,has disorder","306589","2026-06-17","23:07:14",""
"7721142","17.928","0.002","16.502","0.002","11.366","0.0016","90","","90","","90","","3362.6","0.7","150.15","","150.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","TlI(Me)2(IPr)","","","- C35 H48 I N2 Tl -","- C35 H48 I N2 Tl -","- C140 H192 I4 N8 Tl4 -","4","0.5","","Leverett, Anthony Richard; Martin-Wells, Thomas A; Parr, Joseph M.; Cole, Marcus Lawford; McKay, Alasdair I.","Synthesis, Structure and Reactivity of a Cationic Bis(N-Heterocyclic Carbene) Complex of Thallium","Dalton Transactions","2026","","","","","10.1039/D6DT00924G","","","0.71073","MoKα","","0.0296","0.0261","","","0.0627","0.0647","","","","","","1.065","","","","has coordinates","306595","2026-06-18","22:59:56",""
"7721143","15.2839","0.0005","28.9544","0.001","18.4627","0.0007","90","","91.341","0.002","90","","8168.2","0.5","150.15","","150.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","[Tl(IPr)2][Al{OC(CF3)3}4]","","","- C70 H72 Al F36 N4 O4 Tl -","- C70 H72 Al F36 N4 O4 Tl -","- C280 H288 Al4 F144 N16 O16 Tl4 -","4","1","","Leverett, Anthony Richard; Martin-Wells, Thomas A; Parr, Joseph M.; Cole, Marcus Lawford; McKay, Alasdair I.","Synthesis, Structure and Reactivity of a Cationic Bis(N-Heterocyclic Carbene) Complex of Thallium","Dalton Transactions","2026","","","","","10.1039/D6DT00924G","","","0.71073","MoKα","","0.0651","0.0481","","","0.1137","0.1225","","","","","","1.043","","","","has coordinates,has disorder","306595","2026-06-18","22:59:56",""
"7721144","13.298","0.002","13.314","0.002","15.723","0.003","112.498","0.007","103.961","0.007","103.425","0.007","2326.7","0.7","293.55","","293.55","","","","","","","","","8","P -1","-P 1","2","","","","- C14 H44 Cd Cl2 Mo12 N4 O62 P8 -","- C14 H44 Cd Cl2 Mo12 N4 O62 P8 -","- C14 H44 Cd Cl2 Mo12 N4 O62 P8 -","1","0.5","","Wang, Chen; Guo, Wen-Hang; Tang, Wen; Cui, Yunzuo; Qi, Zhaopeng; Liang, Song; Zang, Hong-Ying; su, zhongmin","Pure Reduced Polyoxometalates Materials as Electroactive Materials Toward Proton Energy Storage Device","Dalton Transactions","2026","","","","","10.1039/D6DT01074A","","","0.71073","MoKα","","0.0343","0.0306","","","0.0802","0.0832","","","","","","1.068","","","","has coordinates","306596","2026-06-18","23:00:08",""
"7721145","15.7897","0.0011","16.167","0.0012","17.5673","0.0014","89.382","0.004","82.62","0.004","82.968","0.004","4413.8","0.6","297.16","","297.16","","","","","","","","","7","P -1","-P 1","2","","","","- C40 H80 Cu Mo24 N8 O131 P16 -","- C40 H80 Cu Mo24 N8 O131 P16 -","- C40 H80 Cu Mo24 N8 O131 P16 -","1","0.5","","Wang, Chen; Guo, Wen-Hang; Tang, Wen; Cui, Yunzuo; Qi, Zhaopeng; Liang, Song; Zang, Hong-Ying; su, zhongmin","Pure Reduced Polyoxometalates Materials as Electroactive Materials Toward Proton Energy Storage Device","Dalton Transactions","2026","","","","","10.1039/D6DT01074A","","","0.71073","MoKα","","0.0677","0.0449","","","0.1089","0.1218","","","","","","1.069","","","","has coordinates,has disorder","306596","2026-06-18","23:00:08",""
"7721146","10.5081","0.0003","13.6592","0.0003","14.2904","0.0004","90","","94.129","0.002","90","","2045.81","0.09","250","2","250","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16.5 H17 Cl4 N2 O Re -","- C16.5 H17 Cl4 N2 O Re -","- C66 H68 Cl16 N8 O4 Re4 -","4","1","","Demirci, Gozde; Cortat, Youri; Crochet, Aurelien; Calia, Emanuele; Sprecher, Simon G.; Zobi, Fabio","Strain-Specific Synergy: An Oxo-Rhenium(V) Complex Potentiates Antibiotic Efficacy in Staphylococcus aureus strains","Dalton Transactions","2026","","","","","10.1039/D6DT00824K","","x-ray","1.54186","CuKα","","0.0835","0.0822","","","0.2315","0.2328","","","","","","1.0424","","","","has coordinates,has disorder","306610","2026-06-22","22:52:46",""
"7721147","8.119","0.0003","6.6414","0.0002","12.4604","0.0004","90","","105.355","0.003","90","","647.9","0.04","250","2","250","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C10 H8 Cl3 N2 O Re -","- C10 H8 Cl3 N2 O Re -","- C20 H16 Cl6 N4 O2 Re2 -","2","1","","Demirci, Gozde; Cortat, Youri; Crochet, Aurelien; Calia, Emanuele; Sprecher, Simon G.; Zobi, Fabio","Strain-Specific Synergy: An Oxo-Rhenium(V) Complex Potentiates Antibiotic Efficacy in Staphylococcus aureus strains","Dalton Transactions","2026","","","","","10.1039/D6DT00824K","","x-ray","1.54186","CuKα","","0.0194","0.0192","","","0.0459","0.046","","","","","","1.119","","","","has coordinates,has disorder","306610","2026-06-22","22:52:46",""
"7721148","15.512","0.012","11.81","0.005","12.716","0.006","90","","90","","90","","2330","2","297","2","297","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C21 H24 Cu F6 N5 O P -","- C21 H24 Cu F6 N5 O P -","- C84 H96 Cu4 F24 N20 O4 P4 -","4","1","","Molla, Mofijul; Ghosh, Ayyan; Ghora, Santanu Ghora; Mandal, Sukanta","Copper(II) complexes for electrocatalytic dioxygen reduction: controlling selectivity via proton relay mode","Dalton Transactions","2026","","","","","10.1039/D6DT00632A","","","0.71073","MoKα","","0.1308","0.0589","","","0.1476","0.1995","","","","","","1.034","","","","has coordinates","306611","2026-06-22","22:52:58",""
"7721149","10.356","0.008","10.844","0.008","11.581","0.009","75.38","0.03","86.19","0.03","63.78","0.03","1127.4","1.5","297","2","297","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H25 Cu N5 O S -","- C23 H25 Cu N5 O S -","- C46 H50 Cu2 N10 O2 S2 -","2","1","","Molla, Mofijul; Ghosh, Ayyan; Ghora, Santanu Ghora; Mandal, Sukanta","Copper(II) complexes for electrocatalytic dioxygen reduction: controlling selectivity via proton relay mode","Dalton Transactions","2026","","","","","10.1039/D6DT00632A","","","0.71073","MoKα","","0.0446","0.036","","","0.0923","0.0982","","","","","","1.042","","","","has coordinates","306611","2026-06-22","22:52:58",""
"7721150","11.2899","0.0003","13.9456","0.0003","17.7531","0.0004","107.711","0.002","103.403","0.002","92.735","0.002","2568.96","0.11","99.99","0.1","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C56 H70 Cu2 N4 O8 -","- C56 H70 Cu2 N4 O8 -","- C112 H140 Cu4 N8 O16 -","2","1","","Saha, Koushik; Jana, Sudeep Ranjan; Das, Pubali; Dutta, Basudeb; Banerjee, Mrinmayee; Naskar, Sudip; Jana, Narayan Ch; Hossain, Sekh Sagir; Bera, Bijoy; Sinha, Chittaranjan","Synthesis and characterization of honeycomb-like carboxylate-bridged dimeric Cu(II) and Zn(II)-based coordination polymers with a pyridyl Schiff base linker: dye sorption and Schottky device applications.","Dalton transactions (Cambridge, England : 2003)","2026","","","","","10.1039/d6dt01113f","","","0.71073","MoKα","","0.0607","0.0464","","","0.1151","0.125","","","","","","1.069","","","","has coordinates","306612","2026-06-22","22:53:17",""
"7721151","11.5391","0.0004","13.6643","0.0005","17.8677","0.0006","108.249","0.003","105.185","0.003","93.385","0.003","2551.39","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H70 N4 O8 Zn2 -","- C56 H70 N4 O8 Zn2 -","- C112 H140 N8 O16 Zn4 -","2","1","","Saha, Koushik; Jana, Sudeep Ranjan; Das, Pubali; Dutta, Basudeb; Banerjee, Mrinmayee; Naskar, Sudip; Jana, Narayan Ch; Hossain, Sekh Sagir; Bera, Bijoy; Sinha, Chittaranjan","Synthesis and characterization of honeycomb-like carboxylate-bridged dimeric Cu(II) and Zn(II)-based coordination polymers with a pyridyl Schiff base linker: dye sorption and Schottky device applications.","Dalton transactions (Cambridge, England : 2003)","2026","","","","","10.1039/d6dt01113f","","","0.71073","MoKα","","0.0466","0.0359","","","0.0846","0.0894","","","","","","1.08","","","","has coordinates,has disorder","306612","2026-06-22","22:53:17",""
"7721152","12.8026","0.0005","16.9663","0.0004","15.9752","0.0006","90","","113.004","0.004","90","","3194.1","0.2","150","0.1","150","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C64 H24 Er2 F30 N4 O14 -","- C64 H24 Er2 F30 N4 O14 -","- C128 H48 Er4 F60 N8 O28 -","2","0.5","","Vipanchi, Vipanchi; Jana, Bapan; Balan, Ganeshmoorthi; Roy Choudhury, Angshuman; Shanmugam, Maheswaran; Vignesh, Kuduva R.","Exploration of Role of Carboxylate-Bridges on the Magnetisation Dynamics of {LnIII2} (Ln = Tb, Dy, Ho, and Er) Paddle-Wheel Single-Molecule Magnets: Structure-Property Correlations","Dalton Transactions","2026","","","","","10.1039/D6DT01456A","","x-ray","0.71073","MoKα","","0.0326","0.0288","","","0.0719","0.0758","","","","","","1.068","","","","has coordinates","306627","2026-06-23","23:18:31",""
"7721153","12.9686","0.0004","17.0719","0.0006","16.2732","0.0006","90","","112.374","0.004","90","","3331.6","0.2","150.15","","150.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C64 H24 F30 N4 O14 Tb2 -","- C64 H24 F30 N4 O14 Tb2 -","- C128 H48 F60 N8 O28 Tb4 -","2","0.5","","Vipanchi, Vipanchi; Jana, Bapan; Balan, Ganeshmoorthi; Roy Choudhury, Angshuman; Shanmugam, Maheswaran; Vignesh, Kuduva R.","Exploration of Role of Carboxylate-Bridges on the Magnetisation Dynamics of {LnIII2} (Ln = Tb, Dy, Ho, and Er) Paddle-Wheel Single-Molecule Magnets: Structure-Property Correlations","Dalton Transactions","2026","","","","","10.1039/D6DT01456A","","","0.71073","MoKα","","0.0385","0.0297","","","0.0652","0.0725","","","","","","1.126","","","","has coordinates","306627","2026-06-23","23:18:31",""
"7721154","15.07","0.008","15.07","0.008","18.435","0.012","90","","90","","120","","3626","4","300","2","300","2","","","","","","","","3","R 3 2 :H","R 3 2""","155","","","","- In3 Na Te5 -","- In3 Na Te5 -","- In36 Na12 Te60 -","12","0.666667","","Edirisinghe, Chirantha; Jana, Subhendu; Gabilondo, Eric; Halasyamani, P. Shiv; Maggard, Paul","Synthesis of Filled β-Mn-Type Ternary Tellurides Using a Boron-Tellurium Reaction Mixture","Dalton Transactions","2026","","","","","10.1039/D6DT00913A","","","0.71073","MoKα","","0.0172","0.0162","","","0.0335","0.0337","","","","","","1.033","","","","has coordinates","306628","2026-06-23","23:18:51",""
"7721155","14.6051","0.0005","14.6051","0.0005","17.7702","0.0005","90","","90","","120","","3282.71","0.18","300","2","300","2","","","","","","","","3","R 3 2 :H","R 3 2""","155","","","","- Ga3 Na Te5 -","- Ga3 Na Te5 -","- Ga36 Na12 Te60 -","12","0.666667","","Edirisinghe, Chirantha; Jana, Subhendu; Gabilondo, Eric; Halasyamani, P. Shiv; Maggard, Paul","Synthesis of Filled β-Mn-Type Ternary Tellurides Using a Boron-Tellurium Reaction Mixture","Dalton Transactions","2026","","","","","10.1039/D6DT00913A","","x-ray","0.71073","MoKα","","0.0285","0.0251","","","0.0393","0.0404","","","","","","0.997","","","","has coordinates","306628","2026-06-23","23:18:51",""
"7721156","11.782","0.003","13.443","0.004","16.02","0.005","106.143","0.008","102.357","0.008","96.714","0.009","2338.4","1.2","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C102 H108 N2 O4 Y2 -","- C102 H108 N2 O4 Y2 -","- C102 H108 N2 O4 Y2 -","1","0.5","","Trifonov, Alexander A.; Félix, Gautier; Lyubov, Dmitry; Kallio, Max; Vieru, Veacheslav; Zakaria, Hamza; Vologzhanina, Anna V.; Aysin, Rinat R.; Larionova, Joulia; Guari, Yannick","Stepwise C−H bond activations and assembly of binuclear Ln3+ species coordinated by hexaanionic anti-η5:η5-dibenzopentalene-bridged bis(carbazolyl) framework","Dalton Transactions","2026","","","","","10.1039/D6DT01110A","","","0.71073","MoKα","","0.2831","0.0956","","","0.1821","0.2346","","","","","","0.957","","","","has coordinates,has disorder","306629","2026-06-23","23:19:06",""
"7721157","11.769","0.005","13.406","0.006","15.99","0.007","106.31","0.011","102.439","0.011","96.912","0.012","2320","1.8","140","","140","","","","","","","","","5","P -1","-P 1","2","","","","- C102 H108 Er2 N2 O4 -","- C102 H108 Er2 N2 O4 -","- C102 H108 Er2 N2 O4 -","1","0.5","","Trifonov, Alexander A.; Félix, Gautier; Lyubov, Dmitry; Kallio, Max; Vieru, Veacheslav; Zakaria, Hamza; Vologzhanina, Anna V.; Aysin, Rinat R.; Larionova, Joulia; Guari, Yannick","Stepwise C−H bond activations and assembly of binuclear Ln3+ species coordinated by hexaanionic anti-η5:η5-dibenzopentalene-bridged bis(carbazolyl) framework","Dalton Transactions","2026","","","","","10.1039/D6DT01110A","","","0.71073","MoKα","","0.244","0.0975","","","0.2035","0.2713","","","","","","0.803","","","","has coordinates,has disorder","306629","2026-06-23","23:19:06",""
"7721158","13.439","0.003","15.94","0.003","23.457","0.005","102.15","0.03","96.57","0.03","106.22","0.03","4636","2","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C116 H124 N2 O4 Tb2 -","- C116 H124 N2 O4 Tb2 -","- C232 H248 N4 O8 Tb4 -","2","1","","Trifonov, Alexander A.; Félix, Gautier; Lyubov, Dmitry; Kallio, Max; Vieru, Veacheslav; Zakaria, Hamza; Vologzhanina, Anna V.; Aysin, Rinat R.; Larionova, Joulia; Guari, Yannick","Stepwise C−H bond activations and assembly of binuclear Ln3+ species coordinated by hexaanionic anti-η5:η5-dibenzopentalene-bridged bis(carbazolyl) framework","Dalton Transactions","2026","","","","","10.1039/D6DT01110A","","","0.7517","synchrotron","","0.0523","0.0363","","","0.0933","0.1018","","","","","","1.038","","","","has coordinates,has disorder","306629","2026-06-23","23:19:06",""
"7721159","19.895","0.002","13.4783","0.0015","31.871","0.004","90","","97.959","0.004","90","","8463.9","1.7","193","","193","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C58 H40 F36 Gd2 N12 O16 -","- C58 H40 F36 Gd2 N12 O16 -","- C232 H160 F144 Gd8 N48 O64 -","4","0.5","","Xia, Cheng-Cai; Fang, Li; Wang, Mengli; Yan, Xin; Wang, Wen-Zheng","Solvent-Directed Assembly of Ln and Ln-Co Complexes Based on a Pyridyl-Triazolyl Functionalized Nitronyl Nitroxide Radical: In Situ Reduction from NIT to IM and Magnetic Properties","Dalton Transactions","2026","","","","","10.1039/D6DT01257D","","","0.71073","MoKα","","0.0627","0.0457","","","0.1183","0.1285","","","","","","1.022","","","","has coordinates","306630","2026-06-23","23:19:45",""
"7721160","16.6573","0.0009","24.9721","0.0012","16.9386","0.0009","90","","103.091","0.002","90","","6862.8","0.6","193","","193","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C39 H22 Co F30 N6 O11 Yb -","- C39 H22 Co F30 N6 O11 Yb -","- C156 H88 Co4 F120 N24 O44 Yb4 -","4","1","","Xia, Cheng-Cai; Fang, Li; Wang, Mengli; Yan, Xin; Wang, Wen-Zheng","Solvent-Directed Assembly of Ln and Ln-Co Complexes Based on a Pyridyl-Triazolyl Functionalized Nitronyl Nitroxide Radical: In Situ Reduction from NIT to IM and Magnetic Properties","Dalton Transactions","2026","","","","","10.1039/D6DT01257D","","","0.71073","MoKα","","0.0953","0.0676","","","0.1735","0.1918","","","","","","1.034","","","","has coordinates","306630","2026-06-23","23:19:45",""
"7721161","19.7676","0.0005","13.3485","0.0005","31.5375","0.001","90","","97.415","0.002","90","","8252.1","0.5","193","","193","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C58 H40 Dy2 F38 N12 O14 -","- C58 H40 Dy2 F36 N12 O16 -","- C232 H160 Dy8 F144 N48 O64 -","4","0.5","","Xia, Cheng-Cai; Fang, Li; Wang, Mengli; Yan, Xin; Wang, Wen-Zheng","Solvent-Directed Assembly of Ln and Ln-Co Complexes Based on a Pyridyl-Triazolyl Functionalized Nitronyl Nitroxide Radical: In Situ Reduction from NIT to IM and Magnetic Properties","Dalton Transactions","2026","","","","","10.1039/D6DT01257D","","","0.71073","MoKα","","0.0376","0.0326","","","0.0808","0.0844","","","","","","1.033","","","","has coordinates","306630","2026-06-23","23:19:45",""
"7721162","6.4623","0.0004","11.178","0.0006","12.9438","0.0009","90","","95.2","0.002","90","","931.15","0.1","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H17 N O2 -","- C9 H17 N O2 -","- C36 H68 N4 O8 -","4","1","","Kalinin, Mikhail A.; Evsiunina, Mariia V.; Kalle, Paulina; Matveev, Petr I.; Borisova, Nataliya E.","Radical Switching Am/Eu Selectivity in Sterically Restricted Diglycolamides","Dalton Transactions","2026","","","","","10.1039/D6DT01117A","","","0.71073","MoKα","","0.0667","0.0462","","","0.1093","0.1192","","","","","","1.032","","","","has coordinates,has disorder","306643","2026-06-24","23:50:51",""
"7721163","20.7867","0.0013","21.5042","0.0011","13.5456","0.0008","90","","90","","90","","6054.9","0.6","293","","293","","","","","","","","","5","C m c 21","C 2c -2","36","","","","- Cd11 Cl In9 Rb4 Se26 -","- Cd11 Cl In9 Rb4 Se26 -","- Cd44 Cl4 In36 Rb16 Se104 -","4","0.5","","Xie, Pengzhi; Ren, Qixian; Feng, Junwei; Du, Hong; Mi, Shuyi","[Rb<sub>4</sub>Cl][Cd<sub>11</sub>In<sub>9</sub>Se<sub>26</sub>]: a salt inclusion chalcogenide with a diamond-like framework for infrared nonlinear optics.","Dalton transactions (Cambridge, England : 2003)","2026","","","","","10.1039/d6dt00409a","","","0.71073","MoKα","","0.0229","0.0216","","","0.044","0.0443","","","","","","1.095","","","","has coordinates","306652","2026-06-25","23:52:31",""
"7721164","9.433","0.005","14.141","0.006","14.988","0.005","87.1","0.02","81.99","0.03","88.08","0.03","1976.5","1.5","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C37 H31.5 F12 N8.5 O P2 Ru -","- C37 H31.5 F12 N8.5 O P2 Ru -","- C74 H63 F24 N17 O2 P4 Ru2 -","2","1","","Marretta, Laura; Valcanover, Daniel; Buono, Maria Pia; Pirker, Christine; Amata, Sara; Keppler, Bernhard K.; Palumbo Piccionello, Antonio; Terenzi, Alessio; Berger, Walter; Barone, Giampaolo","Novel Ruthenium(II) Complexes Bearing Polypyridyl and 1,2,4-Oxadiazole Ligands: From Synthesis to In Vitro and In Vivo Anticancer Evaluation","Dalton Transactions","2026","","","","","10.1039/D6DT00693K","","x-ray","1.54178","CuKα","","0.0511","0.0506","","","0.121","0.1216","","","","","","1.166","","","","has coordinates,has disorder","306653","2026-06-25","23:52:38",""
"7721165","20.767","0.005","13.571","0.003","17.494","0.004","90","","104.387","0.003","90","","4775.7","1.9","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C20 H24 B8 O2 P Rh S -","- C20 H24 B8 O2 P Rh S -","- C160 H192 B64 O16 P8 Rh8 S8 -","8","1","","Luaces, Susana; Bould, Jonathan; Lahoz, Fernando J.; Macías, Ramón","Carbonyl insertion into metal-boron based clusters: Pathway to a rhodathiacarborane","Dalton Transactions","2026","","","","","10.1039/D6DT00931J","","","0.71073","MoKα","","0.0471","0.0341","","","0.0842","0.0928","","","","","","1.026","","","","has coordinates","306654","2026-06-25","23:52:53",""
"7721166","16.8907","0.0019","9.9602","0.0011","18.332","0.002","90","","114.177","0.002","90","","2813.6","0.5","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C25 H31 B8 N O P Rh S -","- C25 H31 B8 N O P Rh S -","- C100 H124 B32 N4 O4 P4 Rh4 S4 -","4","1","","Luaces, Susana; Bould, Jonathan; Lahoz, Fernando J.; Macías, Ramón","Carbonyl insertion into metal-boron based clusters: Pathway to a rhodathiacarborane","Dalton Transactions","2026","","","","","10.1039/D6DT00931J","","","0.71073","MoKα","","0.0377","0.0291","","","0.071","0.0752","","","","","","1.058","","","","has coordinates","306654","2026-06-25","23:52:53",""
"7721167","16.5396","0.0006","25.3704","0.001","20.1594","0.0008","90","","96.79","0.002","90","","8399.9","0.6","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","SBF-TPY","","- C107 H84 N12 O2 -","- C107 H84 N12 O2 -","- C428 H336 N48 O8 -","4","1","","Xiao, Yijun; Wang, Zhantao; Wang, Ning; Fu, Fan; Zhong, Wanying; Li, Zhengguang; Jiang, Zhilong; Wang, Jun; Wang, Pingshan; Chen, Mingzhao","Distorted Octahedral Supramolecular Cages Based on spirobiindane with Enhanced Emission","Dalton Transactions","2026","","","","","10.1039/D6DT01222A","","","1.34139","GaKα","","0.1395","0.0903","","","0.2072","0.2308","","","","","","1.053","","","","has coordinates,has disorder","306655","2026-06-25","23:53:01",""
"7721168","11.0682","0.0002","12.2007","0.0002","31.5948","0.0005","90","","99.6792","0.0009","90","","4205.82","0.12","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C51 H47 Cl Ga N P2 Ru -","- C51 H47 Cl Ga N P2 Ru -","- C204 H188 Cl4 Ga4 N4 P8 Ru4 -","4","1","","Sanchez-Lecuona, Gabriela; Wells, Garrett M.; Gyton, Matthew Robert; Zamora-Moreno, Julio; Duckett, Simon B.; Webster, Charles E.; Montiel-Palma, Virginia","Zwitterionic-to-cationic ruthenium carbazole complexes: structure and selective hydroboration of quinolines and pyridines","Dalton Transactions","2026","","","","","10.1039/D6DT00915H","","","1.54178","CuKα","","0.0485","0.0349","","","0.0715","0.0764","","","","","","1.063","","","","has coordinates","306670","2026-06-27","23:02:12",""
"7721169","12.7282","0.001","17.2612","0.0013","18.1439","0.0014","69.709","0.004","78.693","0.004","86.245","0.004","3666.3","0.5","160","2","160","2","","","","","","","","8","P -1","-P 1","2","","","","- C81 H52 B F24 N O P2 Ru -","- C81 H52 B F24 N O P2 Ru -","- C162 H104 B2 F48 N2 O2 P4 Ru2 -","2","1","","Sanchez-Lecuona, Gabriela; Wells, Garrett M.; Gyton, Matthew Robert; Zamora-Moreno, Julio; Duckett, Simon B.; Webster, Charles E.; Montiel-Palma, Virginia","Zwitterionic-to-cationic ruthenium carbazole complexes: structure and selective hydroboration of quinolines and pyridines","Dalton Transactions","2026","","","","","10.1039/D6DT00915H","","","0.71073","MoKα","","0.083","0.0705","","","0.1895","0.2028","","","","","","1.045","","","","has coordinates,has disorder","306670","2026-06-27","23:02:12",""
"7721170","11.042","0.0003","12.1033","0.0003","31.6126","0.0008","90","","99.53","0.001","90","","4166.55","0.19","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C51 H47 Al Cl N P2 Ru -","- C51 H47 Al Cl N P2 Ru -","- C204 H188 Al4 Cl4 N4 P8 Ru4 -","4","1","","Sanchez-Lecuona, Gabriela; Wells, Garrett M.; Gyton, Matthew Robert; Zamora-Moreno, Julio; Duckett, Simon B.; Webster, Charles E.; Montiel-Palma, Virginia","Zwitterionic-to-cationic ruthenium carbazole complexes: structure and selective hydroboration of quinolines and pyridines","Dalton Transactions","2026","","","","","10.1039/D6DT00915H","","","1.54178","CuKα","","0.0333","0.0266","","","0.0583","0.0614","","","","","","1.033","","","","has coordinates","306670","2026-06-27","23:02:12",""
"7721171","12.8091","0.0005","17.3382","0.0006","18.2747","0.0007","68.596","0.002","78.604","0.002","84.3","0.002","3702.5","0.2","109","2","109","2","","","","","","","","7","P -1","-P 1","2","","","","- C81 H54 B F24 N P2 Ru -","- C81 H54 B F24 N P2 Ru -","- C162 H108 B2 F48 N2 P4 Ru2 -","2","1","","Sanchez-Lecuona, Gabriela; Wells, Garrett M.; Gyton, Matthew Robert; Zamora-Moreno, Julio; Duckett, Simon B.; Webster, Charles E.; Montiel-Palma, Virginia","Zwitterionic-to-cationic ruthenium carbazole complexes: structure and selective hydroboration of quinolines and pyridines","Dalton Transactions","2026","","","","","10.1039/D6DT00915H","","","0.71073","MoKα","","0.0616","0.0571","","","0.1672","0.1722","","","","","","1.03","","","","has coordinates,has disorder","306670","2026-06-27","23:02:12",""
"7721172","13.275","0.0008","16.5198","0.0009","13.4709","0.0008","90","","90.47","0.005","90","","2954.1","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 Br4 F4 Mn P2 -","- C20 H28 Br4 F4 Mn P2 -","- C80 H112 Br16 F16 Mn4 P8 -","4","1","","Yu, Kaijian; Ye, Qiong; Wu, Yuechuan; Yang, Yawen","Halogen Substitution of Aromatic Cations for Phase Transition Control and High-Efficiency Luminescence in 0D Manganese-Based Hybrid Perovskites","Dalton Transactions","2026","","","","","10.1039/D6DT01114D","","x-ray","0.71073","MoKα","","0.1161","0.0689","","","0.096","0.1066","","","","","","1.141","","","","has coordinates","306671","2026-06-27","23:02:23",""
"7721173","9.4186","0.0008","10.5532","0.0006","15.386","0.0012","99.426","0.005","90.233","0.007","93.68","0.006","1505.4","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H28 Br4 Cl2 F2 Mn P2 -","- C20 H28 Br4 Cl2 F2 Mn P2 -","- C40 H56 Br8 Cl4 F4 Mn2 P4 -","2","1","","Yu, Kaijian; Ye, Qiong; Wu, Yuechuan; Yang, Yawen","Halogen Substitution of Aromatic Cations for Phase Transition Control and High-Efficiency Luminescence in 0D Manganese-Based Hybrid Perovskites","Dalton Transactions","2026","","","","","10.1039/D6DT01114D","","x-ray","0.71073","MoKα","","0.102","0.0574","","","0.0851","0.0953","","","","","","1.058","","","","has coordinates","306671","2026-06-27","23:02:23",""
"7721174","8.1145","0.0005","20.8578","0.0012","10.0272","0.0006","90","","105.038","0.002","90","","1638.99","0.17","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H16 Br4 Cd N2 -","- C10 H16 Br4 Cd N2 -","- C40 H64 Br16 Cd4 N8 -","4","1","","Chen, Min; Liu, Junhui; Sun, Kaiwen; Hu, Youcai; Dong, Junjie; Jiang, Yue; Li, Xintong; Wang, Juan; Guo, Fengwan","Single- and Tri-Doping Strategies with Mn2+, Sn2+, and Pb2+ in Cadmium-Based Metal Halides for Primary-Color and Tunable White-Light Emission","Dalton Transactions","2026","","","","","10.1039/D6DT01111J","","x-ray","0.71073","MoKα","","0.0429","0.0346","","","0.0886","0.0937","","","","","","1.046","","","","has coordinates","306678","2026-06-30","00:15:44",""
"7721175","15.8722","0.0011","24.3069","0.0017","22.5699","0.0016","90","","92.691","0.002","90","","8698","1.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C81 H104 Mn N6 S7 -","- C81 H104 Mn N6 S7 -","- C324 H416 Mn4 N24 S28 -","4","1","","Das, Sujit; Schwarz, Björn; Mondal, Kartik Chandra","Isolation of a Trigonal Bipyramidal Mn(II) Diradical Complex with an Intermediate Spin State (S = 3/2)","Dalton Transactions","2026","","","","","10.1039/D6DT01052K","","x-ray","0.71073","MoKα","","0.0779","0.0489","","","0.1203","0.1425","","","","","","1.052","","","","has coordinates,has disorder","306679","2026-06-30","00:15:56",""
"7721176","15.1267","0.0001","15.1267","0.0001","15.1267","0.0001","90","","90","","90","","3461.25","0.04","293","2","293","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- Ca3 La2 N4 O8 Si4 -","- Ca3.27271 La2.18184 N4.36364 O8.72727 Si4.36364 -","- Ca35.9998 La24.0002 N48 O96 Si48 -","11","0.458333","","Kobayashi, Makoto; Yasunaga, Takuya; Nagahama, Chikako; Fujii, Kotaro; Yashima, Masatomo; Osada, Minoru; Kato, Hideki; Kakihana, Masato","Crystal structures and luminescence properties of Ca<sub>3</sub>RE<sub>2</sub>Si<sub>4</sub>O<sub>8</sub>N<sub>4</sub> (RE = Y, La, and Ce) activated by Ce<sup>3</sup>.","Dalton transactions (Cambridge, England : 2003)","2026","","","","","10.1039/d6dt01213b","","x-ray","0.71073","MoKα","","0.0191","0.0158","","","0.0359","0.0368","","","","","","1.048","","","","has coordinates","306680","2026-06-30","00:16:07",""
"7721177","14.8435","0.0001","14.8435","0.0001","14.8435","0.0001","90","","90","","90","","3270.46","0.04","293","2","293","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- Ca3 N4 O8 Si4 Y2 -","- Ca2.99999 N4 O8 Si4 Y2.00001 -","- Ca35.9999 N48 O96 Si48 Y24.0001 -","12","0.5","","Kobayashi, Makoto; Yasunaga, Takuya; Nagahama, Chikako; Fujii, Kotaro; Yashima, Masatomo; Osada, Minoru; Kato, Hideki; Kakihana, Masato","Crystal structures and luminescence properties of Ca<sub>3</sub>RE<sub>2</sub>Si<sub>4</sub>O<sub>8</sub>N<sub>4</sub> (RE = Y, La, and Ce) activated by Ce<sup>3</sup>.","Dalton transactions (Cambridge, England : 2003)","2026","","","","","10.1039/d6dt01213b","","x-ray","0.71073","MoKα","","0.019","0.0183","","","0.0466","0.047","","","","","","1.107","","","","has coordinates","306680","2026-06-30","00:16:07",""
"7721178","9.626","0.003","8.169","0.002","42.246","0.012","90","","90.849","0.014","90","","3321.6","1.6","223","2","223","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","SNM_SM_181","","- C34 H24 Cl2 Cu N6 O8 -","- C34 H24 Cl2 Cu N6 O8 -","- C136 H96 Cl8 Cu4 N24 O32 -","4","1","","Karthikeyan, L.; Mathur, Shobhit; Shahnaz, Nafeesa; Patra, Snehashish; Roy, Anindya; Maji, Somnath","Electronic Effects of 4/-Aryl Substitution in Terpyridine Copper(II) Complexes: Structural Insights, DNA-Binding Affinity, and Cytotoxic Evaluation","Dalton Transactions","2026","","","","","10.1039/D6DT00795C","","","0.71073","MoKα","","0.1029","0.0866","","","0.2332","0.2442","","","","","","1.118","","","","has coordinates","306681","2026-06-30","00:16:22",""
"7721179","11.1215","0.0011","13.3263","0.0015","13.6349","0.0015","96.387","0.004","100.342","0.004","93.06","0.004","1970.1","0.4","298","","298","","","","","","","","","6","P -1","-P 1","2","","SNM_KK_ANTPYCuBpypy","","- C42 H28 Cl2 Cu N6 O8 -","- C42 H28 Cl2 Cu N6 O8 -","- C84 H56 Cl4 Cu2 N12 O16 -","2","1","","Karthikeyan, L.; Mathur, Shobhit; Shahnaz, Nafeesa; Patra, Snehashish; Roy, Anindya; Maji, Somnath","Electronic Effects of 4/-Aryl Substitution in Terpyridine Copper(II) Complexes: Structural Insights, DNA-Binding Affinity, and Cytotoxic Evaluation","Dalton Transactions","2026","","","","","10.1039/D6DT00795C","","","0.71073","MoKα","","0.0742","0.0566","","","0.1655","0.1791","","","","","","1.072","","","","has coordinates","306681","2026-06-30","00:16:22",""
"7721180","11.011","0.0007","16.5431","0.0014","24.183","0.004","90","","92.295","0.009","90","","4401.5","0.9","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H66 N2 Ni2 O6 P2 -","- C40 H66 N2 Ni2 O6 P2 -","- C160 H264 N8 Ni8 O24 P8 -","4","1","","Chavez, Anthony J.; Andryushkina, Daria; Zhang, Hao; Wu, Angie; Li, Xinquan; Wu, Guang; Ford, Peter C.; Léonard, Nadia G.; Abu-Omar, Mahdi M.","Ligand Non-Innocence Enables HAT at Dinuclear Nickel Complexes","Dalton Transactions","2026","","","","","10.1039/D6DT01344A","","","0.71073","MoKα","","0.0654","0.0426","","","0.0977","0.109","","","","","","1.028","","","","has coordinates,has disorder","306682","2026-06-30","00:16:42",""
"7721181","16.17133","0.00015","19.51815","0.00015","19.78626","0.00019","90","","90","","90","","6245.23","0.1","100","0.6","100","0.6","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C28 H44 N2 Ni2 O6 P2 -","- C28 H44 N2 Ni2 O6 P2 -","- C224 H352 N16 Ni16 O48 P16 -","8","1","","Chavez, Anthony J.; Andryushkina, Daria; Zhang, Hao; Wu, Angie; Li, Xinquan; Wu, Guang; Ford, Peter C.; Léonard, Nadia G.; Abu-Omar, Mahdi M.","Ligand Non-Innocence Enables HAT at Dinuclear Nickel Complexes","Dalton Transactions","2026","","","","","10.1039/D6DT01344A","","x-ray","1.54184","CuKα","","0.0437","0.0383","","","0.0985","0.1018","","","","","","1.0155","","","","has coordinates","306682","2026-06-30","00:16:42",""
"7721182","20.0863","0.0002","7.4416","0.0001","34.1259","0.0004","90","","90","","90","","5100.94","0.1","173","0.1","173","0.1","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C23 H27 F6 Ir N3 O3 P -","- C23 H27 F6 Ir N3 O3 P -","- C184 H216 F48 Ir8 N24 O24 P8 -","8","2","","Monte, Laura; Lentz, Nicolas; Albrecht, Martin","Pyridinium amidate (PYA) substituents impact ligand-centered hydride formation and (catalytic) hydride transfer reactivity","Dalton Transactions","2026","","","","","10.1039/D6DT01322H","","x-ray","0.71073","MoKα","","0.0265","0.024","","","0.0605","0.0614","","","","","","1.033","","","","has coordinates,has disorder","306683","2026-06-30","00:16:59",""
"7721183","9.16248","0.00011","7.96837","0.00009","34.6978","0.0005","90","","93.3315","0.0011","90","","2529.01","0.06","173","0.1","173","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H30 F6 Ir N2 O2 P -","- C24 H30 F6 Ir N2 O2 P -","- C96 H120 F24 Ir4 N8 O8 P4 -","4","1","","Monte, Laura; Lentz, Nicolas; Albrecht, Martin","Pyridinium amidate (PYA) substituents impact ligand-centered hydride formation and (catalytic) hydride transfer reactivity","Dalton Transactions","2026","","","","","10.1039/D6DT01322H","","x-ray","0.71073","MoKα","","0.0287","0.0248","","","0.0479","0.0487","","","","","","1.274","","","","has coordinates,has disorder","306683","2026-06-30","00:16:59",""
"7721184","10.9122","0.0015","10.982","0.0013","14.3688","0.0019","110.547","0.005","91.907","0.005","116.622","0.004","1403.6","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","fac-[Re(CO)3(Phen5MeSalH)(Cl)]","fac-Tricarbonyl-{2-([1,10-phenanthrolin-5-ylimino]methyl)phenol-N,N'}-(chlorido)-rhenium(I)","","- C32 H24 Cl N3 O4 Re -","- C32 H24 Cl N3 O4 Re -","- C64 H48 Cl2 N6 O8 Re2 -","2","1","","Jacobs, Frederick J. F.; Fourie, Eleanor; Brink, Alice","Engineering the rhenium metalation of phenanthroline imino complexes for variable structure activity relationships.","Dalton transactions (Cambridge, England : 2003)","2026","","","","","10.1039/d6dt00636a","","","0.71073","MoKα","","0.0549","0.0397","","","0.075","0.0817","","","","","","1.184","","","","has coordinates,has disorder","306684","2026-06-30","00:17:23",""
"7721185","15.6247","0.0012","11.8601","0.0009","8.0033","0.0006","90","","106.752","0.003","90","","1420.15","0.19","101","","101","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C15 H8 Br N2 O3 Re -","- C15 H8 Br N2 O3 Re -","- C60 H32 Br4 N8 O12 Re4 -","4","0.5","","Jacobs, Frederick J. F.; Fourie, Eleanor; Brink, Alice","Engineering the rhenium metalation of phenanthroline imino complexes for variable structure activity relationships.","Dalton transactions (Cambridge, England : 2003)","2026","","","","","10.1039/d6dt00636a","","","0.71073","MoKα","","0.0215","0.0205","","","0.05","0.0508","","","","","","1.118","","","","has coordinates","306684","2026-06-30","00:17:23",""
"7721186","7.8174","0.0014","10.9256","0.0017","18.312","0.003","76.475","0.006","84.564","0.008","81.83","0.007","1502.1","0.4","109","2","109","2","","","","","","","","6","P -1","-P 1","2","fac-[Re(CO)3Br(Phen5MeSal)Re(CO)3(MeOH)]","fac-{2-([1,10-Phenanthrolin-5-ylimino]methyl)phenolato-N,N'}-(methanol)(bromido)-hexacarbonyl-di-rhenium(I)","","- C27 H23.04 Br N3 O10.52 Re2 -","- C27 H20.036 Br N3 O9.018 Re2 -","- C54 H40.072 Br2 N6 O18.036 Re4 -","2","1","","Jacobs, Frederick J. F.; Fourie, Eleanor; Brink, Alice","Engineering the rhenium metalation of phenanthroline imino complexes for variable structure activity relationships.","Dalton transactions (Cambridge, England : 2003)","2026","","","","","10.1039/d6dt00636a","","","1.54178","CuKα","","0.0609","0.0484","","","0.1024","0.1143","","","","","","1.071","","","","has coordinates,has disorder","306684","2026-06-30","00:17:23",""
"7721187","10.0739","0.0004","21.6296","0.0008","11.0985","0.0004","90","","102.883","0.001","90","","2357.43","0.15","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","fac-[Re(CO)3(Phen5MeSal)]2","fac-bis{2-([1,10-Phenanthrolin-5-ylimino]methyl)phenol-N,N'}-hexacarbonyl-di-rhenium(I)]","","- C50.31 H39.19 N7.43 O10 Re2 -","- C50.3098 H39.183 N7.4366 O10 Re2 -","- C100.62 H78.366 N14.8732 O20 Re4 -","2","0.5","","Jacobs, Frederick J. F.; Fourie, Eleanor; Brink, Alice","Engineering the rhenium metalation of phenanthroline imino complexes for variable structure activity relationships.","Dalton transactions (Cambridge, England : 2003)","2026","","","","","10.1039/d6dt00636a","","","0.71073","MoKα","","0.0328","0.0288","","","0.0641","0.0659","","","","","","1.08","","","","has coordinates,has disorder","306684","2026-06-30","00:17:23",""