# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-03-12T18:28:27+01:00
# 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",""
"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",""
"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",""
"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",""
"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",""
"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",""
"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",""
"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",""
"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",""
"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",""
"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",""
"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",""
"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","2025","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","304818","2026-03-05","00:56:42",""
"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","2025","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","304818","2026-03-05","00:56:42",""
"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","2025","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","304818","2026-03-05","00:56:42",""
"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","2025","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","304818","2026-03-05","00:56:42",""
"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","2025","17","9","4678","4687","10.1039/d5sc08693k","","x-ray","1.54184","CuKα","","0.0501","0.0457","","","0.1156","0.1181","","","","","","1.091","","","","has coordinates","304818","2026-03-05","00:56:43",""
"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","2025","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","304818","2026-03-05","00:56:43",""
"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","2025","17","9","4678","4687","10.1039/d5sc08693k","","x-ray","1.54184","CuKα","","0.0294","0.0271","","","0.0683","0.0698","","","","","","1.028","","","","has coordinates","304818","2026-03-05","00:56:43",""
"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","2025","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","304818","2026-03-05","00:56:43",""
"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","2025","17","9","4678","4687","10.1039/d5sc08693k","","x-ray","1.54184","CuKα","","0.0545","0.0415","","","0.1056","0.1148","","","","","","1.022","","","","has coordinates","304818","2026-03-05","00:56:43",""
"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","2025","17","9","4678","4687","10.1039/d5sc08693k","","x-ray","1.54184","CuKα","","0.0459","0.0431","","","0.116","0.1189","","","","","","1.028","","","","has coordinates","304818","2026-03-05","00:56:43",""
"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","2025","17","9","4678","4687","10.1039/d5sc08693k","","x-ray","1.54184","CuKα","","0.0279","0.0275","","","0.0737","0.0741","","","","","","1.05","","","","has coordinates","304818","2026-03-05","00:56:43",""
"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","2025","17","9","4678","4687","10.1039/d5sc08693k","","x-ray","1.54184","CuKα","","0.0861","0.0712","","","0.1887","0.1999","","","","","","1.072","","","","has coordinates","304818","2026-03-05","00:56:43",""
"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","2025","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","304818","2026-03-05","00:56:43",""
"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","2025","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","304818","2026-03-05","00:56:43",""
"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","2025","17","9","4803","4813","10.1039/d5sc08432f","","","0.71073","MoKα","","0.0505","0.0453","","","0.1302","0.1353","","","","","","1.049","","","","has coordinates,has disorder","304820","2026-03-05","00:58:21",""
"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","2025","17","9","4803","4813","10.1039/d5sc08432f","","","1.54178","CuKα","","0.1085","0.0817","","","0.2143","0.2317","","","","","","1.105","","","","has coordinates,has disorder","304820","2026-03-05","00:58:21",""
"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",""