# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-06-29T17:14:45+02:00
# Query:
# SELECT data.*
# FROM
# data JOIN jaltnames
# ON altname = journal
# WHERE
# (status is null or status != 'retracted') and
# (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'Chemical science') AND volume = 17 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
"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",""
"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"" FA1-x {en} x Pb η-y Sn y Br3 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"" FA1-x {en} x Pb η-y Sn y Br3 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"" FA1-x {en} x Pb η-y Sn y Br3 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"" FA1-x {en} x Pb η-y Sn y Br3 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"" FA1-x {en} x Pb η-y Sn y Br3 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"" FA1-x {en} x Pb η-y Sn y Br3 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"" FA1-x {en} x Pb η-y Sn y Br3 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"" FA1-x {en} x Pb η-y Sn y Br3 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"" FA1-x {en} x Pb η-y Sn y Br3 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"" FA1-x {en} x Pb η-y Sn y Br3 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"" FA1-x {en} x Pb η-y Sn y Br3 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"" FA1-x {en} x Pb η-y Sn y Br3 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"" FA1-x {en} x Pb η-y Sn y Br3 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"" FA1-x {en} x Pb η-y Sn y Br3 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"" FA1-x {en} x Pb η-y Sn y Br3 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"" FA1-x {en} x Pb η-y Sn y Br3 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"" FA1-x {en} x Pb η-y Sn y Br3 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"" FA1-x {en} x Pb η-y Sn y Br3 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"" FA1-x {en} x Pb η-y Sn y Br3 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 C 1-symmetric four-coordinate cobalt complexes: D 4.","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 C 1-symmetric four-coordinate cobalt complexes: D 4.","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 C 1-symmetric four-coordinate cobalt complexes: D 4.","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 C 1-symmetric four-coordinate cobalt complexes: D 4.","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 C 1-symmetric four-coordinate cobalt complexes: D 4.","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 C 1-symmetric four-coordinate cobalt complexes: D 4.","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 C 1-symmetric four-coordinate cobalt complexes: D 4.","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 C 1-symmetric four-coordinate cobalt complexes: D 4.","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 C 1-symmetric four-coordinate cobalt complexes: D 4.","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 C 1-symmetric four-coordinate cobalt complexes: D 4.","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 C 1-symmetric four-coordinate cobalt complexes: D 4.","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 C 1-symmetric four-coordinate cobalt complexes: D 4.","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 C 1-symmetric four-coordinate cobalt complexes: D 4.","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 C 1-symmetric four-coordinate cobalt complexes: D 4.","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 C 1-symmetric four-coordinate cobalt complexes: D 4.","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 C 1-symmetric four-coordinate cobalt complexes: D 4.","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 C 1-symmetric four-coordinate cobalt complexes: D 4.","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",""
"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+ ions enabling the coordination of the weak Lewis base Ni(CO)4.","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+ ions enabling the coordination of the weak Lewis base Ni(CO)4.","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",""
"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","N-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","N-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-κ2-N,Se-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-κ2-N,Se-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-κ2-N,Se-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-κ2-N,Se-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-κ2-N,Se-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-κ2-N,Se-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-κ2-N,Se-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-κ2-N,Se-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-κ2-N,Se-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 N-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 N-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 N-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 N-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 N-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 N-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 versus 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 versus 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 versus 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 via 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 via 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 via 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 via 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 via 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 via 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 via 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 via 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",""
"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[n]CPPs as chiral and shape-adaptive fullerene hosts and precursors to DBP[n]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[n]CPPs as chiral and shape-adaptive fullerene hosts and precursors to DBP[n]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[n]CPPs as chiral and shape-adaptive fullerene hosts and precursors to DBP[n]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[n]CPPs as chiral and shape-adaptive fullerene hosts and precursors to DBP[n]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(sp3)-H difunctionalization of saturated cyclic amines via 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 via 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 via 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",""
"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",""
"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",""
"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 σ-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 σ-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 σ-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",""
"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",""
"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 via regioselective aza-Wittig synthesis: unifying red-shifted absorption, large E/Z 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 via regioselective aza-Wittig synthesis: unifying red-shifted absorption, large E/Z 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 via regioselective aza-Wittig synthesis: unifying red-shifted absorption, large E/Z 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",""
"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",""
"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",""
"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",""
"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","L-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","L-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","L-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","L-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 1O2 and O2˙- 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 1O2 and O2˙- 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-CAr bonds in stannylene-Ni0 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-CAr bonds in stannylene-Ni0 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-CAr bonds in stannylene-Ni0 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-CAr bonds in stannylene-Ni0 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-CAr bonds in stannylene-Ni0 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-CAr bonds in stannylene-Ni0 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-CAr bonds in stannylene-Ni0 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-CAr bonds in stannylene-Ni0 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-CAr bonds in stannylene-Ni0 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-CAr bonds in stannylene-Ni0 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 via 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",""
"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 λ3-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 λ3-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(III)-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(III)-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(III)-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",""
"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",""
"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 iPr6)3, arising from two-electron reduction by Ln(SAr iPr6)2 [Ar iPr6 = C6H3-2,6-(C6H2-2,6,4- i Pr3)2].","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 iPr6)3, arising from two-electron reduction by Ln(SAr iPr6)2 [Ar iPr6 = C6H3-2,6-(C6H2-2,6,4- i Pr3)2].","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 iPr6)3, arising from two-electron reduction by Ln(SAr iPr6)2 [Ar iPr6 = C6H3-2,6-(C6H2-2,6,4- i Pr3)2].","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 iPr6)3, arising from two-electron reduction by Ln(SAr iPr6)2 [Ar iPr6 = C6H3-2,6-(C6H2-2,6,4- i Pr3)2].","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 iPr6)3, arising from two-electron reduction by Ln(SAr iPr6)2 [Ar iPr6 = C6H3-2,6-(C6H2-2,6,4- i Pr3)2].","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 iPr6)3, arising from two-electron reduction by Ln(SAr iPr6)2 [Ar iPr6 = C6H3-2,6-(C6H2-2,6,4- i Pr3)2].","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 Pd6 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",""
"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",""
"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 via 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 via 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 via 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 via 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",""
"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(PR2)3: 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(PR2)3: 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(PR2)3: 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(PR2)3: 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(PR2)3: 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(PR2)3: 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",""
"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 O-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 via 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 via 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 via 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 via 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 via 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 via 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",""
"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",""
"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 y 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 y 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 y 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 NH3-to-N2H4 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 NH3-to-N2H4 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 NH3-to-N2H4 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 NH3-to-N2H4 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 NH3-to-N2H4 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",""
"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(sp3)-H alkylation of long-chain alkenes: A tandem multicomponent approach via 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(sp3)-H alkylation of long-chain alkenes: A tandem multicomponent approach via 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",""
"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",""
"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",""
"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",""
"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 (C4H8N5)(SbF4) to polar (C4H7N4O)(SbF4): 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 (C4H8N5)(SbF4) to polar (C4H7N4O)(SbF4): 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",""
"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 a.","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 a.","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 a.","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",""