# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-01-31T12:17:03+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 = 16 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
"1572875","10.2369","0.0006","20.4352","0.0012","33.981","0.002","90","","90","","90","","7108.6","0.7","100","2","100","2","","","","","","","","7","F m m m","-F 2 2","69","","","","- C6 H18 Cl4 Cu N2 O3 Si2 -","- C6 H18 Cl4 Cu N2 O3 Si2 -","- C96 H288 Cl64 Cu16 N32 O48 Si32 -","16","0.5","","Dalton, Connor W.; Gannon, Paige M.; Kaminsky, Werner; Reed, Douglas A.","Leveraging ordered voids in microporous perovskites for intercalation and post-synthetic modification.","Chemical science","2024","16","3","1147","1154","10.1039/d4sc04378b","","x-ray","0.71073","MoKα","","0.0826","0.079","","","0.1937","0.1966","","","","","","1.234","","","","has coordinates,has disorder","298159","2025-03-04","19:30:31",""
"1573035","16.0516","0.0001","25.7006","0.0002","27.3571","0.0002","90","","91.647","0.001","90","","11281.1","0.14","120","0.1","120","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C119 H167 F12 N29 O12 P2 -","- C68 H92 F12 N28 O12 P2 -","- C272 H368 F48 N112 O48 P8 -","4","1","","Závodná, Aneta; Janovský, Petr; Kolařík, Václav; Ward, Jas S.; Prucková, Zdeňka; Rouchal, Michal; Rissanen, Kari; Vícha, Robert","Allosteric release of cucurbit[6]uril from a rotaxane using a molecular signal.","Chemical science","2024","16","1","83","89","10.1039/d4sc03970j","","x-ray","1.54184","CuKα","","0.0861","0.08","","","0.2415","0.2465","","","","","","1.06","","","","has coordinates,has disorder","298095","2025-03-04","19:01:25",""
"1573036","17.47878","0.0001","27.72924","0.00012","15.22975","0.00007","90","","90","","90","","7381.45","0.06","298","2","298","2","","","","","","","","6","A m a 2","A 2 -2a","40","","","","- C58 H91.5 F12 N26 O17.75 P2 -","- C58 H91.5 F12 N26 O17.75 P2 -","- C232 H366 F48 N104 O71 P8 -","4","0.5","","Závodná, Aneta; Janovský, Petr; Kolařík, Václav; Ward, Jas S.; Prucková, Zdeňka; Rouchal, Michal; Rissanen, Kari; Vícha, Robert","Allosteric release of cucurbit[6]uril from a rotaxane using a molecular signal.","Chemical science","2024","16","1","83","89","10.1039/d4sc03970j","","x-ray","1.54184","CuKα","","0.0387","0.0383","","","0.1092","0.1096","","","","","","1.04","","","","has coordinates,has disorder","298095","2025-03-04","19:01:25",""
"1573037","36.765","0.0001","36.765","0.0001","36.765","0.0001","90","","90","","90","","49694","0.2","120.01","0.1","120.01","0.1","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C67 H99 F12 N29 O14 P2 -","- C61 H86 F11.9996 N27 O12.5 P1.99993 -","- C1464 H2064 F287.99 N648 O300 P47.9984 -","24","1","","Závodná, Aneta; Janovský, Petr; Kolařík, Václav; Ward, Jas S.; Prucková, Zdeňka; Rouchal, Michal; Rissanen, Kari; Vícha, Robert","Allosteric release of cucurbit[6]uril from a rotaxane using a molecular signal.","Chemical science","2024","16","1","83","89","10.1039/d4sc03970j","","x-ray","1.54184","CuKα","","0.1189","0.113","","","0.3818","0.3864","","","","","","1.803","","","","has coordinates","298095","2025-03-04","19:01:25",""
"1573038","36.79372","0.00009","36.79372","0.00009","36.79372","0.00009","90","","90","","90","","49810.5","0.2","120","","120","","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C67 H98 F12 N29 O14.5 P2 -","- C61 H83 F11.9996 N27 O12 P1.99993 -","- C1464 H1992 F287.99 N648 O288 P47.9984 -","24","1","","Závodná, Aneta; Janovský, Petr; Kolařík, Václav; Ward, Jas S.; Prucková, Zdeňka; Rouchal, Michal; Rissanen, Kari; Vícha, Robert","Allosteric release of cucurbit[6]uril from a rotaxane using a molecular signal.","Chemical science","2024","16","1","83","89","10.1039/d4sc03970j","","x-ray","1.54184","CuKα","","0.1234","0.1167","","","0.3824","0.3887","","","","","","1.775","","","","has coordinates","298095","2025-03-04","19:01:25",""
"1573045","13.37","0.006","15.247","0.008","16.3","0.006","87.59","0.02","75.11","0.02","79.81","0.02","3161","2","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C66 H44 B Cl4 F20 N O P2 -","- C66 H44 B Cl4 F20 N O P2 -","- C132 H88 B2 Cl8 F40 N2 O2 P4 -","2","1","","You, Lijun; Roth, Daniel; Greb, Lutz","Structural constraint at a P-P bond: phosphinophosphination of alkenes, alkynes, and carbonyls by a concerted mechanism.","Chemical science","2025","16","4","1716","1721","10.1039/d4sc06581f","","x-ray","0.71073","MoKα","","0.0714","0.059","","","0.1533","0.1614","","","","","","1.023","","","","has coordinates,has disorder","298114","2025-03-04","19:12:16",""
"1573046","10.1018","0.0013","31.87","0.006","18.321","0.003","90","","92.637","0.015","90","","5892.1","1.7","120","2","120","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C63 H48 B Cl2 F20 N O P2 -","- C63 H48 B Cl2 F20 N O P2 -","- C252 H192 B4 Cl8 F80 N4 O4 P8 -","4","1","","You, Lijun; Roth, Daniel; Greb, Lutz","Structural constraint at a P-P bond: phosphinophosphination of alkenes, alkynes, and carbonyls by a concerted mechanism.","Chemical science","2025","16","4","1716","1721","10.1039/d4sc06581f","","x-ray","0.71073","MoKα","","0.0812","0.0422","","","0.0886","0.1055","","","","","","1.068","","","","has coordinates","298114","2025-03-04","19:12:34",""
"1573047","13.124","0.008","16.183","0.014","17.493","0.013","110.67","0.03","95.58","0.02","113.696","0.018","3057","4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C65 H42 B F20 N O P2 -","- C65 H42 B F20 N O P2 -","- C130 H84 B2 F40 N2 O2 P4 -","2","1","","You, Lijun; Roth, Daniel; Greb, Lutz","Structural constraint at a P-P bond: phosphinophosphination of alkenes, alkynes, and carbonyls by a concerted mechanism.","Chemical science","2025","16","4","1716","1721","10.1039/d4sc06581f","","x-ray","0.71073","MoKα","","0.0862","0.0512","","","0.1253","0.1461","","","","","","1.015","","","","has coordinates","298114","2025-03-04","19:12:34",""
"1573048","12.944","0.005","13.582","0.004","19.223","0.007","103.948","0.013","103.841","0.014","97.75","0.013","3117.5","1.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32.5 H34 Cl2 N O P2 -","- C32.5 H34 Cl2 N O P2 -","- C130 H136 Cl8 N4 O4 P8 -","4","2","","You, Lijun; Roth, Daniel; Greb, Lutz","Structural constraint at a P-P bond: phosphinophosphination of alkenes, alkynes, and carbonyls by a concerted mechanism.","Chemical science","2025","16","4","1716","1721","10.1039/d4sc06581f","","x-ray","0.71073","MoKα","","0.0684","0.0565","","","0.1423","0.1546","","","","","","1.089","","","","has coordinates,has disorder","298114","2025-03-04","19:12:34",""
"1573049","14.195","0.007","15.574","0.007","16.591","0.008","82.59","0.02","77.118","0.018","64.527","0.016","3226","3","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C71 H48 B Cl2 F20 N O P2 -","- C71 H48 B Cl2 F20 N O P2 -","- C142 H96 B2 Cl4 F40 N2 O2 P4 -","2","1","","You, Lijun; Roth, Daniel; Greb, Lutz","Structural constraint at a P-P bond: phosphinophosphination of alkenes, alkynes, and carbonyls by a concerted mechanism.","Chemical science","2025","16","4","1716","1721","10.1039/d4sc06581f","","x-ray","0.71073","MoKα","","0.07","0.0494","","","0.1215","0.1345","","","","","","1.056","","","","has coordinates,has disorder","298114","2025-03-04","19:12:34",""
"1573050","13.127","0.004","16.617","0.004","17.814","0.006","114.495","0.014","98.862","0.018","91.899","0.018","3473.5","1.8","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C71 H58 B Cl4 F20 N O P2 -","- C71 H58 B Cl4 F20 N O P2 -","- C142 H116 B2 Cl8 F40 N2 O2 P4 -","2","1","","You, Lijun; Roth, Daniel; Greb, Lutz","Structural constraint at a P-P bond: phosphinophosphination of alkenes, alkynes, and carbonyls by a concerted mechanism.","Chemical science","2025","16","4","1716","1721","10.1039/d4sc06581f","","x-ray","0.71073","MoKα","","0.0624","0.0509","","","0.1314","0.1416","","","","","","1.032","","","","has coordinates,has disorder","298114","2025-03-04","19:12:34",""
"1573051","20.836","0.013","18.713","0.009","29.74","0.014","90","","90","","90","","11596","11","120","2","120","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C48 H34 Al F36 N O5 P2 -","- C48 H34 Al F36 N O5 P2 -","- C384 H272 Al8 F288 N8 O40 P16 -","8","1","","You, Lijun; Roth, Daniel; Greb, Lutz","Structural constraint at a P-P bond: phosphinophosphination of alkenes, alkynes, and carbonyls by a concerted mechanism.","Chemical science","2025","16","4","1716","1721","10.1039/d4sc06581f","","x-ray","0.71073","MoKα","","0.0659","0.0445","","","0.1137","0.1326","","","","","","1.018","","","","has coordinates,has disorder","298114","2025-03-04","19:12:34",""
"1573052","11.884","0.003","16.729","0.004","31.882","0.007","90","","96.442","0.009","90","","6298","3","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C63 H40 B F20 N O2 P2 -","- C63 H40 B F20 N O2 P2 -","- C252 H160 B4 F80 N4 O8 P8 -","4","1","","You, Lijun; Roth, Daniel; Greb, Lutz","Structural constraint at a P-P bond: phosphinophosphination of alkenes, alkynes, and carbonyls by a concerted mechanism.","Chemical science","2025","16","4","1716","1721","10.1039/d4sc06581f","","x-ray","0.71073","MoKα","","0.0432","0.0384","","","0.102","0.1066","","","","","","1.032","","","","has coordinates","298114","2025-03-04","19:12:34",""
"1573053","50.046","0.015","10.705","0.004","27.527","0.008","90","","123.266","0.007","90","","12331","7","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C64 H42 B F20 N O2 P2 -","- C64 H42 B F20 N O2 P2 -","- C512 H336 B8 F160 N8 O16 P16 -","8","1","","You, Lijun; Roth, Daniel; Greb, Lutz","Structural constraint at a P-P bond: phosphinophosphination of alkenes, alkynes, and carbonyls by a concerted mechanism.","Chemical science","2025","16","4","1716","1721","10.1039/d4sc06581f","","x-ray","0.71073","MoKα","","0.0487","0.0394","","","0.0989","0.1066","","","","","","1.037","","","","has coordinates","298114","2025-03-04","19:12:34",""
"1573142","14.768","0.003","22.615","0.006","14.318","0.004","90","","109.286","0.005","90","","4514","2","117","","117","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C36 H22 B Cl Co F10 Fe N15 O4 -","- C36 H22 B Cl Co F10 Fe N15 O4 -","- C144 H88 B4 Cl4 Co4 F40 Fe4 N60 O16 -","4","1","","Yadav, Jyoti; Konar, Sanjit","Spin state modulation and kinetic control of thermal contraction in a [Fe<sub>2</sub>Co<sub>2</sub>] discrete Prussian blue analogue.","Chemical science","2024","16","1","130","138","10.1039/d4sc05792a","","","0.71073","MoKα","","0.1714","0.0707","","","0.1326","0.1738","","","","","","1.015","","","","has coordinates","298099","2025-03-04","19:04:05",""
"1573143","14.938","0.011","20.83","0.016","15.45","0.012","90","","103.72","0.02","90","","4670","6","250","","250","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C38 H32 B Cl Co F10 Fe N15 O7 -","- C38 H32 B Cl Co F10 Fe N15 O7 -","- C152 H128 B4 Cl4 Co4 F40 Fe4 N60 O28 -","4","1","","Yadav, Jyoti; Konar, Sanjit","Spin state modulation and kinetic control of thermal contraction in a [Fe<sub>2</sub>Co<sub>2</sub>] discrete Prussian blue analogue.","Chemical science","2024","16","1","130","138","10.1039/d4sc05792a","","","0.71073","MoKα","","0.2343","0.0722","","","0.1472","0.2135","","","","","","0.936","","","","has coordinates","298099","2025-03-04","19:04:07",""
"1573144","14.555","0.003","22.133","0.004","14.59","0.003","90","","107.506","0.006","90","","4482.4","1.5","168","2","168","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C36 H24 B Cl Co F10 Fe N15 O5 -","- C36 H24 B Cl Co F10 Fe N15 O5 -","- C144 H96 B4 Cl4 Co4 F40 Fe4 N60 O20 -","4","1","","Yadav, Jyoti; Konar, Sanjit","Spin state modulation and kinetic control of thermal contraction in a [Fe<sub>2</sub>Co<sub>2</sub>] discrete Prussian blue analogue.","Chemical science","2024","16","1","130","138","10.1039/d4sc05792a","","","0.71073","MoKα","","0.0894","0.0583","","","0.1397","0.1594","","","","","","1.069","","","","has coordinates,has disorder","298099","2025-03-04","19:04:07",""
"1573145","14.867","0.004","20.702","0.006","15.437","0.004","90","","103.782","0.007","90","","4614","2","200","2","200","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C38 H29 B Cl Co F10 Fe N15 O7 -","- C38 H29 B Cl Co F10 Fe N15 O7 -","- C152 H116 B4 Cl4 Co4 F40 Fe4 N60 O28 -","4","1","","Yadav, Jyoti; Konar, Sanjit","Spin state modulation and kinetic control of thermal contraction in a [Fe<sub>2</sub>Co<sub>2</sub>] discrete Prussian blue analogue.","Chemical science","2024","16","1","130","138","10.1039/d4sc05792a","","","0.71073","MoKα","","0.0789","0.0432","","","0.0929","0.1103","","","","","","1.005","","","","has coordinates","298099","2025-03-04","19:04:07",""
"1573146","14.5844","0.0015","21.947","0.002","14.54","0.0015","90","","107.574","0.003","90","","4436.8","0.8","140","","140","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C36 H24 B Cl Co F10 Fe N15 O5 -","- C36 H24 B Cl Co F10 Fe N15 O5 -","- C144 H96 B4 Cl4 Co4 F40 Fe4 N60 O20 -","4","1","","Yadav, Jyoti; Konar, Sanjit","Spin state modulation and kinetic control of thermal contraction in a [Fe<sub>2</sub>Co<sub>2</sub>] discrete Prussian blue analogue.","Chemical science","2024","16","1","130","138","10.1039/d4sc05792a","","","0.71073","MoKα","","0.0922","0.0573","","","0.1351","0.1555","","","","","","1.043","","","","has coordinates,has disorder","298099","2025-03-04","19:04:07",""
"1573147","14.5597","0.0012","22.1504","0.0016","14.5863","0.0012","90","","107.475","0.003","90","","4487","0.6","168","2","168","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C36 H24 B Cl Co F10 Fe N15 O5 -","- C36 H24 B Cl Co F10 Fe N15 O5 -","- C144 H96 B4 Cl4 Co4 F40 Fe4 N60 O20 -","4","1","","Yadav, Jyoti; Konar, Sanjit","Spin state modulation and kinetic control of thermal contraction in a [Fe<sub>2</sub>Co<sub>2</sub>] discrete Prussian blue analogue.","Chemical science","2024","16","1","130","138","10.1039/d4sc05792a","","","0.71073","MoKα","","0.0924","0.0592","","","0.1403","0.1609","","","","","","1.064","","","","has coordinates,has disorder","298099","2025-03-04","19:04:07",""
"1573148","14.586","0.003","21.94","0.004","14.537","0.003","90","","107.634","0.005","90","","4433.5","1.5","140","2","140","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C36 H24 B Cl Co F10 Fe N15 O5 -","- C36 H24 B Cl Co F10 Fe N15 O5 -","- C144 H96 B4 Cl4 Co4 F40 Fe4 N60 O20 -","4","1","","Yadav, Jyoti; Konar, Sanjit","Spin state modulation and kinetic control of thermal contraction in a [Fe<sub>2</sub>Co<sub>2</sub>] discrete Prussian blue analogue.","Chemical science","2024","16","1","130","138","10.1039/d4sc05792a","","","0.71073","MoKα","","0.0851","0.059","","","0.1386","0.1547","","","","","","1.063","","","","has coordinates,has disorder","298099","2025-03-04","19:04:07",""
"1573149","14.608","0.003","21.69","0.004","14.447","0.003","90","","107.574","0.004","90","","4363.9","1.5","120","","120","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C36 H24 B Cl Co F10 Fe N15 O5 -","- C36 H24 B Cl Co F10 Fe N15 O5 -","- C144 H96 B4 Cl4 Co4 F40 Fe4 N60 O20 -","4","1","","Yadav, Jyoti; Konar, Sanjit","Spin state modulation and kinetic control of thermal contraction in a [Fe<sub>2</sub>Co<sub>2</sub>] discrete Prussian blue analogue.","Chemical science","2024","16","1","130","138","10.1039/d4sc05792a","","","0.71073","MoKα","","0.1301","0.0706","","","0.1552","0.1859","","","","","","1.053","","","","has coordinates,has disorder","298099","2025-03-04","19:04:07",""
"1573150","14.5088","0.001","22.4672","0.0013","14.6367","0.001","90","","107.396","0.002","90","","4552.9","0.5","200","","200","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C36 H24 B Cl Co F10 Fe N15 O5 -","- C36 H24 B Cl Co F10 Fe N15 O5 -","- C144 H96 B4 Cl4 Co4 F40 Fe4 N60 O20 -","4","1","","Yadav, Jyoti; Konar, Sanjit","Spin state modulation and kinetic control of thermal contraction in a [Fe<sub>2</sub>Co<sub>2</sub>] discrete Prussian blue analogue.","Chemical science","2024","16","1","130","138","10.1039/d4sc05792a","","","0.71073","MoKα","","0.1135","0.0816","","","0.1745","0.1888","","","","","","1.214","","","","has coordinates,has disorder","298099","2025-03-04","19:04:07",""
"1573151","14.5659","0.0013","21.8912","0.0018","14.5075","0.0014","90","","107.593","0.003","90","","4409.6","0.7","110","2","110","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C36 H24 B Cl Co F10 Fe N15 O5 -","- C36 H24 B Cl Co F10 Fe N15 O5 -","- C144 H96 B4 Cl4 Co4 F40 Fe4 N60 O20 -","4","1","","Yadav, Jyoti; Konar, Sanjit","Spin state modulation and kinetic control of thermal contraction in a [Fe<sub>2</sub>Co<sub>2</sub>] discrete Prussian blue analogue.","Chemical science","2024","16","1","130","138","10.1039/d4sc05792a","","","0.71073","MoKα","","0.0832","0.058","","","0.1367","0.1527","","","","","","1.06","","","","has coordinates,has disorder","298099","2025-03-04","19:04:07",""
"1573152","14.6328","0.001","21.6526","0.0017","14.4816","0.0012","90","","107.596","0.004","90","","4373.6","0.6","140","2","140","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C36 H24 B Cl Co F10 Fe N15 O5 -","- C36 H24 B Cl Co F10 Fe N15 O5 -","- C144 H96 B4 Cl4 Co4 F40 Fe4 N60 O20 -","4","1","","Yadav, Jyoti; Konar, Sanjit","Spin state modulation and kinetic control of thermal contraction in a [Fe<sub>2</sub>Co<sub>2</sub>] discrete Prussian blue analogue.","Chemical science","2024","16","1","130","138","10.1039/d4sc05792a","","","0.71073","MoKα","","0.1404","0.0918","","","0.186","0.2086","","","","","","1.127","","","","has coordinates,has disorder","298099","2025-03-04","19:04:07",""
"1573153","14.618","0.003","21.998","0.004","14.513","0.003","90","","107.492","0.004","90","","4451.1","1.5","168","","168","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C36 H24 B Cl Co F10 Fe N15 O5 -","- C36 H24 B Cl Co F10 Fe N15 O5 -","- C144 H96 B4 Cl4 Co4 F40 Fe4 N60 O20 -","4","1","","Yadav, Jyoti; Konar, Sanjit","Spin state modulation and kinetic control of thermal contraction in a [Fe<sub>2</sub>Co<sub>2</sub>] discrete Prussian blue analogue.","Chemical science","2024","16","1","130","138","10.1039/d4sc05792a","","","0.71073","MoKα","","0.1333","0.0684","","","0.1493","0.1861","","","","","","1.014","","","","has coordinates,has disorder","298099","2025-03-04","19:04:07",""
"1573154","14.5189","0.0006","22.4945","0.0008","14.6481","0.0006","90","","107.387","0.001","90","","4565.4","0.3","200","2","200","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C36 H24 B Cl Co F10 Fe N15 O5 -","- C36 H24 B Cl Co F10 Fe N15 O5 -","- C144 H96 B4 Cl4 Co4 F40 Fe4 N60 O20 -","4","1","","Yadav, Jyoti; Konar, Sanjit","Spin state modulation and kinetic control of thermal contraction in a [Fe<sub>2</sub>Co<sub>2</sub>] discrete Prussian blue analogue.","Chemical science","2024","16","1","130","138","10.1039/d4sc05792a","","","0.71073","MoKα","","0.1081","0.0841","","","0.1777","0.1887","","","","","","1.219","","","","has coordinates,has disorder","298099","2025-03-04","19:04:07",""
"1573155","14.5568","0.0005","22.4909","0.0008","14.6069","0.0005","90","","107.337","0.001","90","","4565","0.3","200","","200","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C36 H24 B Cl Co F10 Fe N15 O5 -","- C36 H24 B Cl Co F10 Fe N15 O5 -","- C144 H96 B4 Cl4 Co4 F40 Fe4 N60 O20 -","4","1","","Yadav, Jyoti; Konar, Sanjit","Spin state modulation and kinetic control of thermal contraction in a [Fe<sub>2</sub>Co<sub>2</sub>] discrete Prussian blue analogue.","Chemical science","2024","16","1","130","138","10.1039/d4sc05792a","","","0.71073","MoKα","","0.1532","0.1264","","","0.2815","0.2943","","","","","","1.256","","","","has coordinates,has disorder","298099","2025-03-04","19:04:07",""
"1573156","14.852","0.005","20.7","0.008","15.425","0.006","90","","103.695","0.011","90","","4607","3","168","2","168","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C38 H29 B Cl Co F10 Fe N15 O7 -","- C38 H29 B Cl Co F10 Fe N15 O7 -","- C152 H116 B4 Cl4 Co4 F40 Fe4 N60 O28 -","4","1","","Yadav, Jyoti; Konar, Sanjit","Spin state modulation and kinetic control of thermal contraction in a [Fe<sub>2</sub>Co<sub>2</sub>] discrete Prussian blue analogue.","Chemical science","2024","16","1","130","138","10.1039/d4sc05792a","","","0.71073","MoKα","","0.081","0.0439","","","0.0912","0.1078","","","","","","1.008","","","","has coordinates","298099","2025-03-04","19:04:07",""
"1573157","14.735","0.005","20.586","0.007","15.382","0.006","90","","103.396","0.01","90","","4539","3","100","2","100","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C38 H29 B Cl Co F10 Fe N15 O7 -","- C38 H29 B Cl Co F10 Fe N15 O7 -","- C152 H116 B4 Cl4 Co4 F40 Fe4 N60 O28 -","4","1","","Yadav, Jyoti; Konar, Sanjit","Spin state modulation and kinetic control of thermal contraction in a [Fe<sub>2</sub>Co<sub>2</sub>] discrete Prussian blue analogue.","Chemical science","2024","16","1","130","138","10.1039/d4sc05792a","","","0.71073","MoKα","","0.0738","0.0426","","","0.09","0.1049","","","","","","1.027","","","","has coordinates","298099","2025-03-04","19:04:07",""
"1573160","17.2516","0.0002","17.2516","0.0002","47.4743","0.0008","90","","90","","90","","14129.2","0.3","100","0.1","100","0.1","","","","","","","","4","I 41 c d","I 4bw -2c","110","","","","- C84 H100 Ga2 N4 -","- C84 H100 Ga2 N4 -","- C672 H800 Ga16 N32 -","8","0.5","","Merschel, Arne; Heda, Shkelqim; Vishnevskiy, Yury V.; Neumann, Beate; Stammler, Hans-Georg; Ghadwal, Rajendra S.","Annulated carbocyclic gallylene and bis-gallylene with two-coordinated Ga(i) atoms.","Chemical science","2025","16","5","2222","2230","10.1039/d4sc06782g","","x-ray","0.71073","MoKα","","0.0442","0.0336","","","0.078","0.0826","","","","","","1.109","","","","has coordinates","298088","2025-03-04","18:55:54",""
"1573161","19.4377","0.0004","19.6182","0.0004","19.7964","0.0005","90","","100.679","0.002","90","","7418.3","0.3","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C80 H78 F16 Ga2 N4 -","- C80 H78 F16 Ga2 N4 -","- C320 H312 F64 Ga8 N16 -","4","1","","Merschel, Arne; Heda, Shkelqim; Vishnevskiy, Yury V.; Neumann, Beate; Stammler, Hans-Georg; Ghadwal, Rajendra S.","Annulated carbocyclic gallylene and bis-gallylene with two-coordinated Ga(i) atoms.","Chemical science","2025","16","5","2222","2230","10.1039/d4sc06782g","","x-ray","1.54184","CuKα","","0.0728","0.0522","","","0.1232","0.135","","","","","","1.026","","","","has coordinates","298088","2025-03-04","18:55:55",""
"1573162","10.8571","0.0002","14.302","0.0003","25.6182","0.0005","98.115","0.002","96.616","0.002","102.807","0.002","3795.66","0.14","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C82.88 H87 Fe1.97 Ga2 I0.06 N4 O7.88 -","- C82.8744 H87 Fe1.9686 Ga2 I0.0628 N4 O7.8744 -","- C165.749 H174 Fe3.9372 Ga4 I0.1256 N8 O15.7488 -","2","1","","Merschel, Arne; Heda, Shkelqim; Vishnevskiy, Yury V.; Neumann, Beate; Stammler, Hans-Georg; Ghadwal, Rajendra S.","Annulated carbocyclic gallylene and bis-gallylene with two-coordinated Ga(i) atoms.","Chemical science","2025","16","5","2222","2230","10.1039/d4sc06782g","","x-ray","1.54184","CuKα","","0.0405","0.0373","","","0.0994","0.1027","","","","","","1.021","","","","has coordinates,has disorder","298088","2025-03-04","18:55:55",""
"1573163","10.3023","0.0008","18.4534","0.0013","20.0384","0.0016","90","","103.039","0.007","90","","3711.3","0.5","173","0.1","173","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C78 H90 Cl4 Ga2 N4 -","- C66 H78 Cl4 Ga2 N4 -","- C132 H156 Cl8 Ga4 N8 -","2","0.5","","Merschel, Arne; Heda, Shkelqim; Vishnevskiy, Yury V.; Neumann, Beate; Stammler, Hans-Georg; Ghadwal, Rajendra S.","Annulated carbocyclic gallylene and bis-gallylene with two-coordinated Ga(i) atoms.","Chemical science","2025","16","5","2222","2230","10.1039/d4sc06782g","","x-ray","0.71073","MoKα","","0.0577","0.0447","","","0.1139","0.1219","","","","","","1.044","","","","has coordinates","298088","2025-03-04","18:55:55",""
"1573164","12.7988","0.0007","14.6243","0.0007","18.1282","0.0009","80.487","0.004","79.632","0.004","85.811","0.004","3288.5","0.3","220","0.1","220","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C73 H86 Ga2 N4 -","- C66 H78 Ga2 N4 -","- C132 H156 Ga4 N8 -","2","1","","Merschel, Arne; Heda, Shkelqim; Vishnevskiy, Yury V.; Neumann, Beate; Stammler, Hans-Georg; Ghadwal, Rajendra S.","Annulated carbocyclic gallylene and bis-gallylene with two-coordinated Ga(i) atoms.","Chemical science","2025","16","5","2222","2230","10.1039/d4sc06782g","","x-ray","0.71073","MoKα","","0.1001","0.0645","","","0.1573","0.1789","","","","","","1.031","","","","has coordinates,has disorder","298088","2025-03-04","18:55:55",""
"1573165","10.5694","0.0001","12.1801","0.0001","13.6704","0.0001","101.963","0.001","98.911","0.001","107.53","0.001","1596.52","0.03","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C66 H78 Ga2 I4 N4 -","- C66 H78 Ga2 I4 N4 -","- C66 H78 Ga2 I4 N4 -","1","0.5","","Merschel, Arne; Heda, Shkelqim; Vishnevskiy, Yury V.; Neumann, Beate; Stammler, Hans-Georg; Ghadwal, Rajendra S.","Annulated carbocyclic gallylene and bis-gallylene with two-coordinated Ga(i) atoms.","Chemical science","2025","16","5","2222","2230","10.1039/d4sc06782g","","x-ray","0.71073","MoKα","","0.0228","0.018","","","0.0365","0.0385","","","","","","1.0511","","","","has coordinates","298088","2025-03-04","18:55:55",""
"1573166","21.1589","0.0005","19.2641","0.0004","19.4975","0.0004","90","","91.377","0.002","90","","7945","0.3","100","0.1","100","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C88 H88 F12 Ga2 N6 -","- C76 H78 F10 Ga2 N6 -","- C304 H312 F40 Ga8 N24 -","4","0.5","","Merschel, Arne; Heda, Shkelqim; Vishnevskiy, Yury V.; Neumann, Beate; Stammler, Hans-Georg; Ghadwal, Rajendra S.","Annulated carbocyclic gallylene and bis-gallylene with two-coordinated Ga(i) atoms.","Chemical science","2025","16","5","2222","2230","10.1039/d4sc06782g","","x-ray","0.71073","MoKα","","0.0712","0.0675","","","0.1644","0.1664","","","","","","1.174","","","","has coordinates,has disorder","298088","2025-03-04","18:55:55",""
"1573176","13.5566","0.0003","6.1185","0.0002","34.8632","0.0008","90","","91.681","0.001","90","","2890.52","0.13","193","","193","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C31 H51 N O5 -","- C31 H51 N O5 -","- C124 H204 N4 O20 -","4","1","","Wang, Zengyuan; Alsup, Tyler A.; Pan, Xingming; Li, Lu-Lu; Tian, Jupeng; Yang, Ziyi; Lin, Xiaoxu; Xu, Hui-Min; Rudolf, Jeffrey D.; Dong, Liao-Bin","Biosynthesis of a bacterial meroterpenoid reveals a non-canonical class II meroterpenoid cyclase.","Chemical science","2024","16","1","310","317","10.1039/d4sc06010e","","","1.54178","CuKα","","0.0347","0.0335","","","0.088","0.0892","","","","","","1.068","","","","has coordinates","298092","2025-03-04","18:58:07",""
"1573177","7.2412","0.0002","12.2368","0.0004","34.0916","0.001","90","","90","","90","","3020.83","0.16","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H51 N O5 -","- C30 H51 N O5 -","- C120 H204 N4 O20 -","4","1","","Wang, Zengyuan; Alsup, Tyler A.; Pan, Xingming; Li, Lu-Lu; Tian, Jupeng; Yang, Ziyi; Lin, Xiaoxu; Xu, Hui-Min; Rudolf, Jeffrey D.; Dong, Liao-Bin","Biosynthesis of a bacterial meroterpenoid reveals a non-canonical class II meroterpenoid cyclase.","Chemical science","2024","16","1","310","317","10.1039/d4sc06010e","","","1.54184","CuKα","","0.0773","0.0701","","","0.1741","0.1775","","","","","","1.198","","","","has coordinates","298092","2025-03-04","18:58:07",""
"1573178","9.775","0.0003","16.6702","0.0006","25.7105","0.0008","107.247","0.003","93.692","0.003","98.988","0.003","3924.7","0.2","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H28 Al4 -","- C28 H28 Al4 -","- C168 H168 Al24 -","6","3","","Lückert, Paula L; Gilmer, Jannik; Virovets, Alexander; Lerner, Hans-Wolfram; Wagner, Matthias","Donor-free 9,10-dihydro-9,10-dialuminaanthracenes.","Chemical science","2024","16","1","147","155","10.1039/d4sc06940d","","","0.71073","MoKα","","0.0549","0.0417","","","0.1052","0.1139","","","","","","1.033","","","","has coordinates","298096","2025-03-04","19:02:14",""
"1573179","8.5249","0.0004","10.084","0.0006","15.022","0.0007","80.5","0.004","80.878","0.004","65.121","0.005","1149.72","0.11","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H8 Al4 Br8 -","- C12 H8 Al4 Br8 -","- C24 H16 Al8 Br16 -","2","1","","Lückert, Paula L; Gilmer, Jannik; Virovets, Alexander; Lerner, Hans-Wolfram; Wagner, Matthias","Donor-free 9,10-dihydro-9,10-dialuminaanthracenes.","Chemical science","2024","16","1","147","155","10.1039/d4sc06940d","","","0.71073","MoKα","","0.0644","0.059","","","0.1503","0.1552","","","","","","1.092","","","","has coordinates","298096","2025-03-04","19:02:14",""
"1573180","10.9074","0.0012","12.1287","0.0012","20.097","0.002","90.03","0.009","91.767","0.009","109.036","0.009","2511.9","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H29 Al2 K N2 O1.5 -","- C23 H29 Al2 K N2 O1.5 -","- C92 H116 Al8 K4 N8 O6 -","4","2","","Lückert, Paula L; Gilmer, Jannik; Virovets, Alexander; Lerner, Hans-Wolfram; Wagner, Matthias","Donor-free 9,10-dihydro-9,10-dialuminaanthracenes.","Chemical science","2024","16","1","147","155","10.1039/d4sc06940d","","","0.71073","MoKα","","0.1567","0.1057","","","0.3841","0.3937","","","","","","1.109","","","","has coordinates","298096","2025-03-04","19:02:14",""
"1573181","9.0697","0.0003","9.2595","0.0004","9.8024","0.0004","112.117","0.004","105.052","0.003","102.588","0.003","689.09","0.06","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H30 Al2 N2 -","- C30 H30 Al2 N2 -","- C30 H30 Al2 N2 -","1","0.5","","Lückert, Paula L; Gilmer, Jannik; Virovets, Alexander; Lerner, Hans-Wolfram; Wagner, Matthias","Donor-free 9,10-dihydro-9,10-dialuminaanthracenes.","Chemical science","2024","16","1","147","155","10.1039/d4sc06940d","","","0.71073","MoKα","","0.0404","0.0394","","","0.1051","0.1059","","","","","","1.067","","","","has coordinates","298096","2025-03-04","19:02:14",""
"1573182","10.1518","0.0008","9.9203","0.0006","12.7992","0.001","90","","100.072","0.007","90","","1269.13","0.16","173","2","173","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C24 H16 Al4 Br4 -","- C24 H16 Al4 Br4 -","- C48 H32 Al8 Br8 -","2","0.5","","Lückert, Paula L; Gilmer, Jannik; Virovets, Alexander; Lerner, Hans-Wolfram; Wagner, Matthias","Donor-free 9,10-dihydro-9,10-dialuminaanthracenes.","Chemical science","2024","16","1","147","155","10.1039/d4sc06940d","","","0.71073","MoKα","","0.0427","0.0363","","","0.085","0.0901","","","","","","1.106","","","","has coordinates","298096","2025-03-04","19:02:14",""
"1573183","8.1909","0.0009","8.1869","0.0009","9.8777","0.001","109.179","0.01","102.057","0.009","104.104","0.01","575.78","0.13","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C13.9 H13.69 Al4 Br6.1 -","- C13.896 H13.688 Al4 Br6.104 -","- C13.896 H13.688 Al4 Br6.104 -","1","0.5","","Lückert, Paula L; Gilmer, Jannik; Virovets, Alexander; Lerner, Hans-Wolfram; Wagner, Matthias","Donor-free 9,10-dihydro-9,10-dialuminaanthracenes.","Chemical science","2024","16","1","147","155","10.1039/d4sc06940d","","","0.71073","MoKα","","0.0629","0.0472","","","0.0986","0.1077","","","","","","1.031","","","","has coordinates,has disorder","298096","2025-03-04","19:02:14",""
"1573184","9.87648","0.00019","14.3894","0.0003","15.3682","0.0003","90","","104.96","0.002","90","","2110.05","0.08","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H24.67 Al2 N2.67 O0.67 -","- C21.9996 H24.666 Al2 N2.6666 O0.6666 -","- C87.9984 H98.664 Al8 N10.6664 O2.6664 -","4","1","","Lückert, Paula L; Gilmer, Jannik; Virovets, Alexander; Lerner, Hans-Wolfram; Wagner, Matthias","Donor-free 9,10-dihydro-9,10-dialuminaanthracenes.","Chemical science","2024","16","1","147","155","10.1039/d4sc06940d","","","0.71073","MoKα","","0.0674","0.0631","","","0.1552","0.1581","","","","","","1.097","","","","has coordinates,has disorder","298096","2025-03-04","19:02:14",""
"1573185","19.694","0.003","7.0404","0.0006","19.08","0.004","90","","120.073","0.018","90","","2289.4","0.8","90","2","90","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H28 Al2 Br2 O2 -","- C20 H28 Al2 Br2 O2 -","- C80 H112 Al8 Br8 O8 -","4","0.5","","Lückert, Paula L; Gilmer, Jannik; Virovets, Alexander; Lerner, Hans-Wolfram; Wagner, Matthias","Donor-free 9,10-dihydro-9,10-dialuminaanthracenes.","Chemical science","2024","16","1","147","155","10.1039/d4sc06940d","","","0.71073","MoKα","","0.0608","0.0439","","","0.0956","0.0984","","","","","","1.034","","","","has coordinates","298096","2025-03-04","19:02:14",""
"1573186","9.5845","0.0004","13.7779","0.0005","16.7652","0.0006","90","","106.151","0.004","90","","2126.54","0.15","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H24 Al2 Br2 O2 -","- C20 H24 Al2 Br2 O2 -","- C80 H96 Al8 Br8 O8 -","4","1","","Lückert, Paula L; Gilmer, Jannik; Virovets, Alexander; Lerner, Hans-Wolfram; Wagner, Matthias","Donor-free 9,10-dihydro-9,10-dialuminaanthracenes.","Chemical science","2024","16","1","147","155","10.1039/d4sc06940d","","","0.71073","MoKα","","0.0427","0.0325","","","0.0619","0.0651","","","","","","1.108","","","","has coordinates","298096","2025-03-04","19:02:14",""
"1573187","8.071","0.0005","8.2992","0.0006","9.8658","0.0007","108.901","0.007","101.51","0.006","103.983","0.006","578.24","0.08","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H8 Al4 Br8 -","- C12 H8 Al4 Br8 -","- C12 H8 Al4 Br8 -","1","0.5","","Lückert, Paula L; Gilmer, Jannik; Virovets, Alexander; Lerner, Hans-Wolfram; Wagner, Matthias","Donor-free 9,10-dihydro-9,10-dialuminaanthracenes.","Chemical science","2024","16","1","147","155","10.1039/d4sc06940d","","","0.71073","MoKα","","0.0376","0.0332","","","0.0827","0.0867","","","","","","1.07","","","","has coordinates","298096","2025-03-04","19:02:14",""
"1573188","9.0374","0.0007","9.3213","0.0006","9.7274","0.0009","110.307","0.007","104.486","0.008","104.444","0.006","691.18","0.12","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H24 Al2 Br2 N2 -","- C28 H24 Al2 Br2 N2 -","- C28 H24 Al2 Br2 N2 -","1","0.5","","Lückert, Paula L; Gilmer, Jannik; Virovets, Alexander; Lerner, Hans-Wolfram; Wagner, Matthias","Donor-free 9,10-dihydro-9,10-dialuminaanthracenes.","Chemical science","2024","16","1","147","155","10.1039/d4sc06940d","","","0.71073","MoKα","","0.0472","0.0366","","","0.0652","0.0678","","","","","","1.162","","","","has coordinates,has disorder","298096","2025-03-04","19:02:14",""
"1573189","9.4049","0.0004","16.9807","0.0006","10.3837","0.0004","90","","108.989","0.004","90","","1568.05","0.11","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H40 Al2 Br5 N -","- C22 H40 Al2 Br5 N -","- C44 H80 Al4 Br10 N2 -","2","1","","Lückert, Paula L; Gilmer, Jannik; Virovets, Alexander; Lerner, Hans-Wolfram; Wagner, Matthias","Donor-free 9,10-dihydro-9,10-dialuminaanthracenes.","Chemical science","2024","16","1","147","155","10.1039/d4sc06940d","","","0.71073","MoKα","","0.0537","0.0416","","","0.0901","0.0965","","","","","","1.01","","","","has coordinates","298096","2025-03-04","19:02:14",""
"1573190","9.9086","0.0005","13.8047","0.0006","16.1315","0.0007","90","","95.104","0.004","90","","2197.8","0.18","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H30 Al2 O2 -","- C22 H30 Al2 O2 -","- C88 H120 Al8 O8 -","4","1","","Lückert, Paula L; Gilmer, Jannik; Virovets, Alexander; Lerner, Hans-Wolfram; Wagner, Matthias","Donor-free 9,10-dihydro-9,10-dialuminaanthracenes.","Chemical science","2024","16","1","147","155","10.1039/d4sc06940d","","","0.71073","MoKα","","0.08","0.0563","","","0.1451","0.1612","","","","","","1.039","","","","has coordinates,has disorder","298096","2025-03-04","19:02:14",""
"1573214","6.5459","0.0006","7.4134","0.0004","27.118","0.003","90","","96.115","0.009","90","","1308.5","0.2","149.99","0.1","149.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 Br O3 -","- C14 H13 Br O3 -","- C56 H52 Br4 O12 -","4","1","","Xu, Zurong; Zhu, Dong; Wu, Rui; Zhu, Shifa","Tandem Rh(ii)-catalyzed 1,3-acyloxy migration/intermolecular [2 + 2] cycloaddition of electron-deficient propargylic esters with alkenes and alkynes.","Chemical science","2024","16","1","205","210","10.1039/d4sc06458e","","x-ray","1.54184","CuKα","","0.1251","0.1137","","","0.3452","0.3523","","","","","","2.595","","","","has coordinates,has disorder","298102","2025-03-04","19:05:17",""
"1573215","6.7856","0.0004","6.0442","0.0004","16.6292","0.0009","90","","92.683","0.005","90","","681.27","0.07","149.99","0.1","149.99","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H14 O5 -","- C16 H14 O5 -","- C32 H28 O10 -","2","1","","Xu, Zurong; Zhu, Dong; Wu, Rui; Zhu, Shifa","Tandem Rh(ii)-catalyzed 1,3-acyloxy migration/intermolecular [2 + 2] cycloaddition of electron-deficient propargylic esters with alkenes and alkynes.","Chemical science","2024","16","1","205","210","10.1039/d4sc06458e","","x-ray","1.54184","CuKα","","0.0853","0.0834","","","0.2455","0.2464","","","","","","1.141","","","","has coordinates","298102","2025-03-04","19:05:17",""
"1573216","10.8995","0.0005","16.7093","0.0008","13.8142","0.0006","90","","108.662","0.002","90","","2383.61","0.19","200","","200","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H24 Cu2 I3 N5 O -","- C17 H24 Cu2 I3 N5 O -","- C68 H96 Cu8 I12 N20 O4 -","4","1","","Chen, Jingwen; Zhou, Kang; Li, Jingbai; Xu, Guozhong; Hei, Xiuze; Li, Jing","Strongly photoluminescent and radioluminescent copper(i) iodide hybrid materials made of coordinated ionic chains.","Chemical science","2025","16","3","1106","1114","10.1039/d4sc06242f","","","0.71073","MoKα","","0.0753","0.054","","","0.1045","0.1117","","","","","","1.257","","","","has coordinates,has disorder","298166","2025-03-04","19:33:57",""
"1573217","11.453","0.0013","17.025","0.002","12.8883","0.0013","90","","94.855","0.003","90","","2504","0.5","200","","200","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H26 Cu2 I3 N5 O -","- C18 H26 Cu2 I3 N5 O -","- C72 H104 Cu8 I12 N20 O4 -","4","1","","Chen, Jingwen; Zhou, Kang; Li, Jingbai; Xu, Guozhong; Hei, Xiuze; Li, Jing","Strongly photoluminescent and radioluminescent copper(i) iodide hybrid materials made of coordinated ionic chains.","Chemical science","2025","16","3","1106","1114","10.1039/d4sc06242f","","","0.71073","MoKα","","0.0861","0.0605","","","0.124","0.1352","","","","","","1.166","","","","has coordinates,has disorder","298166","2025-03-04","19:33:58",""
"1573218","10.1107","0.0015","11.2297","0.0018","11.9172","0.0017","73.93","0.006","67.168","0.005","71.862","0.006","1166.1","0.3","200","","200","","","","","","","","","6","P -1","-P 1","2","","","","- C34 H47 Cu4 I6 N9 O2 -","- C34 H47 Cu4 I6 N9 O2 -","- C34 H47 Cu4 I6 N9 O2 -","1","0.5","","Chen, Jingwen; Zhou, Kang; Li, Jingbai; Xu, Guozhong; Hei, Xiuze; Li, Jing","Strongly photoluminescent and radioluminescent copper(i) iodide hybrid materials made of coordinated ionic chains.","Chemical science","2025","16","3","1106","1114","10.1039/d4sc06242f","","","0.71073","MoKα","","0.0554","0.0436","","","0.0969","0.1023","","","","","","1.15","","","","has coordinates,has disorder","298166","2025-03-04","19:33:58",""
"1573219","11.4886","0.001","13.4361","0.001","15.0603","0.0012","90","","98.972","0.003","90","","2296.3","0.3","200","","200","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H19 Cu2 I3 N4 O2 -","- C15 H19 Cu2 I3 N4 O2 -","- C60 H76 Cu8 I12 N16 O8 -","4","1","","Chen, Jingwen; Zhou, Kang; Li, Jingbai; Xu, Guozhong; Hei, Xiuze; Li, Jing","Strongly photoluminescent and radioluminescent copper(i) iodide hybrid materials made of coordinated ionic chains.","Chemical science","2025","16","3","1106","1114","10.1039/d4sc06242f","","","0.71073","MoKα","","0.0721","0.0506","","","0.1209","0.1343","","","","","","1.087","","","","has coordinates,has disorder","298166","2025-03-04","19:33:58",""
"1573220","8.585","0.002","12.11","0.003","29.773","0.006","90","","90.461","0.009","90","","3095.2","1.2","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Pt-H_PtBu3_2-CH3CN [BF3]","","- C26 H58 B F4 N P2 Pt -","- C26 H58 B F4 N P2 Pt -","- C104 H232 B4 F16 N4 P8 Pt4 -","4","1","","Atterberry, Benjamin A.; Wimmer, Erik J.; Klostermann, Sina; Frey, Wolfgang; Kästner, Johannes; Estes, Deven P.; Rossini, Aaron J.","Structural characterization of surface immobilized platinum hydrides by sensitivity-enhanced <sup>195</sup>Pt solid state NMR spectroscopy and DFT calculations.","Chemical science","2025","16","3","1271","1287","10.1039/d4sc06450j","","","0.71073","MoKα","","0.1365","0.0863","","","0.1705","0.198","","","","","","1.046","","","","has coordinates","298164","2025-03-04","19:32:54",""
"1573221","11.5231","0.0004","16.5896","0.0004","16.5713","0.0005","90","","106.8","0.002","90","","3032.63","0.16","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Pt-H_PtBu3_2-H2O [BF3]","","- C24 H57 B F4 O P2 Pt -","- C24 H57 B F4 O P2 Pt -","- C96 H228 B4 F16 O4 P8 Pt4 -","4","1","","Atterberry, Benjamin A.; Wimmer, Erik J.; Klostermann, Sina; Frey, Wolfgang; Kästner, Johannes; Estes, Deven P.; Rossini, Aaron J.","Structural characterization of surface immobilized platinum hydrides by sensitivity-enhanced <sup>195</sup>Pt solid state NMR spectroscopy and DFT calculations.","Chemical science","2025","16","3","1271","1287","10.1039/d4sc06450j","","","0.71073","MoKα","","0.0839","0.0412","","","0.0523","0.0611","","","","","","1.014","","","","has coordinates","298164","2025-03-04","19:32:54",""
"1573222","11.1587","0.0003","19.7667","0.0005","16.9439","0.0005","90","","96.666","0.001","90","","3712.06","0.18","150","2","150","2","","","","","","","","7","C 1 c 1","C -2yc","9","","Pt-H_PtBu3_2 [BF3]","","- C26 H59 B Cl4 F4 P2 Pt -","- C26 H59 B Cl4 F4 P2 Pt -","- C104 H236 B4 Cl16 F16 P8 Pt4 -","4","1","","Atterberry, Benjamin A.; Wimmer, Erik J.; Klostermann, Sina; Frey, Wolfgang; Kästner, Johannes; Estes, Deven P.; Rossini, Aaron J.","Structural characterization of surface immobilized platinum hydrides by sensitivity-enhanced <sup>195</sup>Pt solid state NMR spectroscopy and DFT calculations.","Chemical science","2025","16","3","1271","1287","10.1039/d4sc06450j","","","0.71073","MoKα","","0.0269","0.0239","","","0.0512","0.0523","","","","","","1.033","","","","has coordinates,has disorder","298164","2025-03-04","19:32:54",""
"1573223","14.0277","0.0006","31.9593","0.0012","20.8847","0.0008","90","","90","","90","","9362.9","0.6","120","","120","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C70 H92 Cl2 N6 O26 Zr6 -","- C58 H64 Cl2 N2 O22 Zr6 -","- C232 H256 Cl8 N8 O88 Zr24 -","4","0.5","","Morey, Merissa N.; Montone, Christine M.; Dworzak, Michael R.; Yap, Glenn P. A.; Bloch, Eric D.","Tunable synthesis of heteroleptic zirconium-based porous coordination cages.","Chemical science","2025","16","2","816","823","10.1039/d4sc06023g","","","1.54178","CuKα","","0.1161","0.1118","","","0.2385","0.2408","","","","","","1.17","","","","has coordinates,has disorder","298125","2025-03-04","19:17:40",""
"1573224","10.5045","0.0011","6.2032","0.0005","13.9819","0.0013","90","","102.093","0.01","90","","890.86","0.15","197.15","","197.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H5 As S2 -","- C9 H5 As S2 -","- C36 H20 As4 S8 -","4","1","","Sumida, Akifumi; Saeki, Akinori; Matsuo, Kyohei; Naka, Kensuke; Imoto, Hiroaki","Dithienoarsinines: stable and planar π-extended arsabenzenes.","Chemical science","2025","16","3","1126","1135","10.1039/d4sc06590e","","x-ray","0.71073","MoKα","","0.0422","0.0363","","","0.0963","0.1018","","","","","","1.079","","","","has coordinates","298156","2025-03-04","19:29:41",""
"1573225","13.4892","0.0012","8.5408","0.0007","23.219","0.002","90","","97.422","0.009","90","","2652.6","0.4","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H9 As S2 -","- C17 H9 As S2 -","- C136 H72 As8 S16 -","8","1","","Sumida, Akifumi; Saeki, Akinori; Matsuo, Kyohei; Naka, Kensuke; Imoto, Hiroaki","Dithienoarsinines: stable and planar π-extended arsabenzenes.","Chemical science","2025","16","3","1126","1135","10.1039/d4sc06590e","","x-ray","0.71073","MoKα","","0.083","0.0461","","","0.0847","0.1027","","","","","","0.993","","","","has coordinates","298156","2025-03-04","19:29:42",""
"1573226","13.1348","0.0011","8.5422","0.0005","12.1986","0.001","90","","93.983","0.008","90","","1365.38","0.18","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H9 As S2 -","- C17 H9 As S2 -","- C68 H36 As4 S8 -","4","1","","Sumida, Akifumi; Saeki, Akinori; Matsuo, Kyohei; Naka, Kensuke; Imoto, Hiroaki","Dithienoarsinines: stable and planar π-extended arsabenzenes.","Chemical science","2025","16","3","1126","1135","10.1039/d4sc06590e","","x-ray","0.71073","MoKα","","0.1277","0.0622","","","0.1284","0.1643","","","","","","1.112","","","","has coordinates,has disorder","298156","2025-03-04","19:29:42",""
"1573227","13.2423","0.0008","8.4253","0.0006","23.582","0.0015","90","","97.092","0.006","90","","2610.9","0.3","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H9 P S2 -","- C17 H9 P S2 -","- C136 H72 P8 S16 -","8","1","","Sumida, Akifumi; Saeki, Akinori; Matsuo, Kyohei; Naka, Kensuke; Imoto, Hiroaki","Dithienoarsinines: stable and planar π-extended arsabenzenes.","Chemical science","2025","16","3","1126","1135","10.1039/d4sc06590e","","x-ray","0.71073","MoKα","","0.0437","0.0359","","","0.0902","0.0963","","","","","","1.096","","","","has coordinates","298156","2025-03-04","19:29:42",""
"1573228","7.4187","0.0003","13.2453","0.0005","17.9755","0.0007","77.315","0.003","81.898","0.004","76.885","0.004","1670.53","0.12","180.15","","180.15","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H20 O3 P2 S4 -","- C34 H20 O3 P2 S4 -","- C68 H40 O6 P4 S8 -","2","1","","Sumida, Akifumi; Saeki, Akinori; Matsuo, Kyohei; Naka, Kensuke; Imoto, Hiroaki","Dithienoarsinines: stable and planar π-extended arsabenzenes.","Chemical science","2025","16","3","1126","1135","10.1039/d4sc06590e","","","1.54184","CuKα","","0.1263","0.1064","","","0.288","0.3047","","","","","","1.048","","","","has coordinates,has disorder","298156","2025-03-04","19:29:42",""
"1573229","8.0954","0.0006","11.366","0.0007","15.4655","0.0008","87.822","0.005","85.309","0.005","80.114","0.006","1396.77","0.16","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C34 H16 As2 S4 -","- C34 H16 As2 S4 -","- C68 H32 As4 S8 -","2","1","","Sumida, Akifumi; Saeki, Akinori; Matsuo, Kyohei; Naka, Kensuke; Imoto, Hiroaki","Dithienoarsinines: stable and planar π-extended arsabenzenes.","Chemical science","2025","16","3","1126","1135","10.1039/d4sc06590e","","x-ray","0.71073","MoKα","","0.0609","0.0421","","","0.0969","0.1076","","","","","","1.016","","","","has coordinates","298156","2025-03-04","19:29:42",""
"1573230","14.5703","0.0009","3.9421","0.0003","23.8017","0.0018","90","","99.317","0.007","90","","1349.08","0.17","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H9 As S2 -","- C17 H9 As S2 -","- C68 H36 As4 S8 -","4","1","","Sumida, Akifumi; Saeki, Akinori; Matsuo, Kyohei; Naka, Kensuke; Imoto, Hiroaki","Dithienoarsinines: stable and planar π-extended arsabenzenes.","Chemical science","2025","16","3","1126","1135","10.1039/d4sc06590e","","x-ray","0.71073","MoKα","","0.0685","0.0503","","","0.1254","0.1369","","","","","","1.053","","","","has coordinates","298156","2025-03-04","19:29:42",""
"1573231","10.403","0.0004","14.0494","0.0005","10.7101","0.0004","90","","99.246","0.003","90","","1545.01","0.1","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 As O4 S2 -","- C15 H11 As O4 S2 -","- C60 H44 As4 O16 S8 -","4","1","","Sumida, Akifumi; Saeki, Akinori; Matsuo, Kyohei; Naka, Kensuke; Imoto, Hiroaki","Dithienoarsinines: stable and planar π-extended arsabenzenes.","Chemical science","2025","16","3","1126","1135","10.1039/d4sc06590e","","x-ray","0.71073","MoKα","","0.0359","0.0328","","","0.0895","0.0931","","","","","","1.034","","","","has coordinates","298156","2025-03-04","19:29:42",""
"1573232","6.1248","0.0003","11.3296","0.0006","12.9122","0.0007","90","","95.535","0.006","90","","891.82","0.08","100","","100","","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C9 H5 As S2 -","- C9 H5 As S2 -","- C36 H20 As4 S8 -","4","2","","Sumida, Akifumi; Saeki, Akinori; Matsuo, Kyohei; Naka, Kensuke; Imoto, Hiroaki","Dithienoarsinines: stable and planar π-extended arsabenzenes.","Chemical science","2025","16","3","1126","1135","10.1039/d4sc06590e","","x-ray","0.71073","MoKα","","0.0339","0.0299","","","0.0712","0.0737","","","","","","1.037","","","","has coordinates,has disorder","298156","2025-03-04","19:29:42",""
"1573233","7.312","0.0005","10.1653","0.0008","11.2954","0.0008","92.355","0.006","106.909","0.006","100.48","0.006","785.92","0.1","256","","256","","","","","","","","","6","P -1","-P 1","2","","","","- C14 H5 As O5 S2 W -","- C14 H5 As O5 S2 W -","- C28 H10 As2 O10 S4 W2 -","2","1","","Sumida, Akifumi; Saeki, Akinori; Matsuo, Kyohei; Naka, Kensuke; Imoto, Hiroaki","Dithienoarsinines: stable and planar π-extended arsabenzenes.","Chemical science","2025","16","3","1126","1135","10.1039/d4sc06590e","","x-ray","0.71073","MoKα","","0.1186","0.0985","","","0.259","0.2985","","","","","","1.105","","","","has coordinates","298156","2025-03-04","19:29:42",""
"1573234","16.1897","0.0005","7.1373","0.0003","31.4478","0.0009","90","","90.732","0.003","90","","3633.5","0.2","100","","100","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C23 H13 As S2 -","- C23 H13 As S2 -","- C184 H104 As8 S16 -","8","1","","Sumida, Akifumi; Saeki, Akinori; Matsuo, Kyohei; Naka, Kensuke; Imoto, Hiroaki","Dithienoarsinines: stable and planar π-extended arsabenzenes.","Chemical science","2025","16","3","1126","1135","10.1039/d4sc06590e","","x-ray","0.71073","MoKα","","0.0359","0.0345","","","0.0909","0.0919","","","","","","1.084","","","","has coordinates","298156","2025-03-04","19:29:42",""
"1573235","17.8326","0.0012","7.736","0.0006","30.234","0.0015","90","","90","","90","","4170.9","0.5","100","","100","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C23 H15 As O4 S2 -","- C23 H15 As O4 S2 -","- C184 H120 As8 O32 S16 -","8","2","","Sumida, Akifumi; Saeki, Akinori; Matsuo, Kyohei; Naka, Kensuke; Imoto, Hiroaki","Dithienoarsinines: stable and planar π-extended arsabenzenes.","Chemical science","2025","16","3","1126","1135","10.1039/d4sc06590e","","x-ray","0.71073","MoKα","","0.0502","0.0412","","","0.0921","0.099","","","","","","1.056","","","","has coordinates","298156","2025-03-04","19:29:42",""
"1573236","6.499","0.003","11.218","0.004","17.798","0.008","97.448","0.014","93.423","0.014","90.73","0.02","1284.1","0.9","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C37 H24 N2 O -","- C37 H24 N2 O -","- C74 H48 N4 O2 -","2","1","","Dai, Hui; Liang, Yaohui; Long, Xiang; Tang, Tianyi; Xie, Haozhi; Ma, Zhiwei; Li, Gaoyu; Yang, Zhan; Zhao, Juan; Chi, Zhenguo","An effective design strategy for thermally activated delayed fluorescence emitters with aggregation-induced emission to enable sky-blue OLEDs that achieve an EQE of nearly 30.","Chemical science","2024","16","1","156","162","10.1039/d4sc06613h","","","1.34138","GaKα","","0.1119","0.0614","","","0.147","0.1763","","","","","","1.019","","","","has coordinates","298100","2025-03-04","19:04:33",""
"1573237","5.7116","0.0005","12.3669","0.0009","18.667","0.0014","102.633","0.006","91.04","0.006","92.503","0.006","1284.87","0.18","149.99","0.1","149.99","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C37 H22 N2 O2 -","- C37 H22 N2 O2 -","- C74 H44 N4 O4 -","2","1","","Dai, Hui; Liang, Yaohui; Long, Xiang; Tang, Tianyi; Xie, Haozhi; Ma, Zhiwei; Li, Gaoyu; Yang, Zhan; Zhao, Juan; Chi, Zhenguo","An effective design strategy for thermally activated delayed fluorescence emitters with aggregation-induced emission to enable sky-blue OLEDs that achieve an EQE of nearly 30.","Chemical science","2024","16","1","156","162","10.1039/d4sc06613h","","x-ray","0.71073","MoKα","","0.1437","0.0737","","","0.1544","0.195","","","","","","0.991","","","","has coordinates","298100","2025-03-04","19:04:35",""
"1573254","8.9329","0.0004","9.2591","0.0003","11.0005","0.0004","97.817","0.003","98.36","0.003","109.228","0.004","833.34","0.06","150.01","0.1","150.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C11 H15 Ag F6 N5 P -","- C11 H15 Ag F6 N5 P -","- C22 H30 Ag2 F12 N10 P2 -","2","1","","Chen, Zhe; Ouyang, Laofeng; Wang, Ning; Li, Weikang; Ke, Zhuofeng","Remote C-H bond cooperation strategy enabled silver catalyzed borrowing hydrogen reactions.","Chemical science","2024","16","1","163","170","10.1039/d4sc05486e","","x-ray","1.54184","CuKα","","0.0617","0.0599","","","0.1432","0.1471","","","","","","1.078","","","","has coordinates","298097","2025-03-04","19:02:32",""
"1573255","11.2729","0.0013","21.486","0.002","6.9612","0.0007","90","","111.597","0.005","90","","1567.7","0.3","150","","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H16 Ag F6 N4 P -","- C10 H16 Ag F6 N4 P -","- C40 H64 Ag4 F24 N16 P4 -","4","0.5","","Chen, Zhe; Ouyang, Laofeng; Wang, Ning; Li, Weikang; Ke, Zhuofeng","Remote C-H bond cooperation strategy enabled silver catalyzed borrowing hydrogen reactions.","Chemical science","2024","16","1","163","170","10.1039/d4sc05486e","","","1.34138","GaKα","","0.0584","0.0498","","","0.1459","0.1539","","","","","","1.145","","","","has coordinates","301679","2025-08-07","05:51:25",""
"1573256","28.333","0.003","43.635","0.004","40.669","0.004","90","","90","","90","","50280","9","101","","101","","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","","","- C760 H564 Cd16 N96 O16 -","- C760 H564 Cd16 N96 O16 -","- C1520 H1128 Cd32 N192 O32 -","2","0.125","","Li, Yu-Qing; Zhao, He; Han, Ermeng; Jiang, Zhiyuan; Bai, Qixia; Guan, Yu-Ming; Zhang, Zhe; Wu, Tun; Wang, Pingshan","Dynamic selection in metallo-organic cube Cd<sup>II</sup> <sub>8</sub>L<sub>4</sub> conformations induced by perfluorooctanoate encapsulation.","Chemical science","2024","16","1","364","370","10.1039/d4sc07105k","","","1.34139","GaKα","","0.1581","0.1346","","","0.3925","0.4217","","","","","","1.826","","","","has coordinates","298101","2025-03-04","19:05:06",""
"1573269","43.6143","0.0009","10.572","0.0002","25.1335","0.0007","90","","98.309","0.002","90","","11467.2","0.5","150","2","150","0.1","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C166 H123 -","- C166 H123 -","- C664 H492 -","4","0.5","","Sanderson, Hugh J.; Helbig, Andreas; Kociok-Köhn, Gabriele; Helten, Holger; Hintermair, Ulrich","Reversible formation of tetraphenylpentalene, a room temperature stable antiaromatic hydrocarbon.","Chemical science","2025","16","2","952","961","10.1039/d4sc06439a","","x-ray","1.54184","CuKα","","0.0655","0.0449","","","0.0994","0.1093","","","","","","1.012","","","","has coordinates,has disorder","298124","2025-03-04","19:17:28",""
"1573270","6.0446","0.0003","34.1672","0.0012","17.5241","0.0008","90","","96.228","0.004","90","","3597.8","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H56 Fe P2 -","- C40 H56 Fe P2 -","- C160 H224 Fe4 P8 -","4","1","","Franz, Roman; Bartek, Máté; Bruhn, Clemens; Kelemen, Zsolt; Pietschnig, Rudolf","P<sup>+</sup> addition and transfer involving a tetraphosphenium ion.","Chemical science","2024","16","1","139","146","10.1039/d4sc06823h","","x-ray","0.71073","MoKα","","0.1228","0.0731","","","0.1798","0.2146","","","","","","1.034","","","","has coordinates,has disorder","298098","2025-03-04","19:02:45",""
"1573271","10.9377","0.0005","15.3369","0.0005","13.4763","0.0006","90","","107.121","0.003","90","","2160.47","0.16","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H28 B F4 Fe P3 -","- C18 H28 B F4 Fe P3 -","- C72 H112 B4 F16 Fe4 P12 -","4","1","","Franz, Roman; Bartek, Máté; Bruhn, Clemens; Kelemen, Zsolt; Pietschnig, Rudolf","P<sup>+</sup> addition and transfer involving a tetraphosphenium ion.","Chemical science","2024","16","1","139","146","10.1039/d4sc06823h","","x-ray","0.71073","MoKα","","0.035","0.0283","","","0.0688","0.0724","","","","","","1.048","","","","has coordinates","298098","2025-03-04","19:02:45",""
"1573272","9.2572","0.0009","16.6386","0.0016","18.679","0.0018","96.852","0.008","99.363","0.008","94.47","0.008","2804.5","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H58 Al2 Cl12 Fe P4 -","- C42 H58 Al2 Cl12 Fe P4 -","- C84 H116 Al4 Cl24 Fe2 P8 -","2","1","","Franz, Roman; Bartek, Máté; Bruhn, Clemens; Kelemen, Zsolt; Pietschnig, Rudolf","P<sup>+</sup> addition and transfer involving a tetraphosphenium ion.","Chemical science","2024","16","1","139","146","10.1039/d4sc06823h","","","1.54186","CuKα","","0.1954","0.1378","","","0.3601","0.4083","","","","","","1.049","","","","has coordinates","298098","2025-03-04","19:02:45",""
"1573273","9.9283","0.0003","32.1189","0.0007","10.3633","0.0003","90","","112.542","0.004","90","","3052.23","0.17","199.99","0.1","199.99","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H51 O4 Si3 Y -","- C20 H51 O4 Si3 Y -","- C80 H204 O16 Si12 Y4 -","4","1","","Tanuhadi, Elias; Bair, Anna S.; Johnson, Mary; Fontaine, Philip; Klosin, Jerzy; Pal, Sudipta; Arnold, Polly L.","Stabilization of reactive rare earth alkyl complexes through mechanistic studies.","Chemical science","2024","16","1","280","287","10.1039/d4sc05983b","","x-ray","1.54184","CuKα","","0.0563","0.049","","","0.144","0.1499","","","","","","1.07","","","","has coordinates","298094","2025-03-04","18:59:25",""
"1573274","10.6318","0.0003","9.5844","0.0003","29.2885","0.0007","90","","90.415","0.002","90","","2984.4","0.14","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Lur3G3","","- C20 H51 Lu O4 Si3 -","- C20 H51 Lu O4 Si3 -","- C80 H204 Lu4 O16 Si12 -","4","1","","Tanuhadi, Elias; Bair, Anna S.; Johnson, Mary; Fontaine, Philip; Klosin, Jerzy; Pal, Sudipta; Arnold, Polly L.","Stabilization of reactive rare earth alkyl complexes through mechanistic studies.","Chemical science","2024","16","1","280","287","10.1039/d4sc05983b","","x-ray","0.71073","MoKα","","0.0253","0.024","","","0.0558","0.0566","","","","","","1.09","","","","has coordinates","298094","2025-03-04","18:59:25",""
"1573275","19.0642","0.0001","15.9861","0.0001","19.1033","0.0001","90","","107.166","0.001","90","","5562.62","0.06","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H47 Lu O3 Si3 -","- C18 H47 Lu O3 Si3 -","- C144 H376 Lu8 O24 Si24 -","8","2","","Tanuhadi, Elias; Bair, Anna S.; Johnson, Mary; Fontaine, Philip; Klosin, Jerzy; Pal, Sudipta; Arnold, Polly L.","Stabilization of reactive rare earth alkyl complexes through mechanistic studies.","Chemical science","2024","16","1","280","287","10.1039/d4sc05983b","","x-ray","1.54184","CuKα","","0.036","0.0338","","","0.0893","0.0911","","","","","","1.078","","","","has coordinates,has disorder","298094","2025-03-04","18:59:25",""
"1573276","10.2696","0.0001","15.0304","0.0001","17.6083","0.0001","90","","90","","90","","2717.95","0.04","100","0.11","100","0.11","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H49 N2 Sc Si3 -","- C18 H49 N2 Sc Si3 -","- C72 H196 N8 Sc4 Si12 -","4","1","","Tanuhadi, Elias; Bair, Anna S.; Johnson, Mary; Fontaine, Philip; Klosin, Jerzy; Pal, Sudipta; Arnold, Polly L.","Stabilization of reactive rare earth alkyl complexes through mechanistic studies.","Chemical science","2024","16","1","280","287","10.1039/d4sc05983b","","x-ray","1.54184","CuKα","","0.026","0.0258","","","0.068","0.0682","","","","","","1.07","","","","has coordinates,has disorder","298094","2025-03-04","18:59:25",""
"1573277","9.7614","0.0001","16.1956","0.0002","17.1923","0.0002","90","","90","","90","","2717.96","0.05","99.97","0.11","99.97","0.11","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H49 Lu N2 Si3 -","- C18 H49 Lu N2 Si3 -","- C72 H196 Lu4 N8 Si12 -","4","1","","Tanuhadi, Elias; Bair, Anna S.; Johnson, Mary; Fontaine, Philip; Klosin, Jerzy; Pal, Sudipta; Arnold, Polly L.","Stabilization of reactive rare earth alkyl complexes through mechanistic studies.","Chemical science","2024","16","1","280","287","10.1039/d4sc05983b","","x-ray","1.54184","CuKα","","0.0397","0.0389","","","0.0907","0.0909","","","","","","1.049","","","","has coordinates","298094","2025-03-04","18:59:25",""
"1573278","9.4868","0.0001","15.7772","0.0001","18.6972","0.0001","90","","101.956","0.001","90","","2737.8","0.04","99.98","0.1","99.98","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H47 O3 Sc Si3 -","- C18 H47 O3 Sc Si3 -","- C72 H188 O12 Sc4 Si12 -","4","1","","Tanuhadi, Elias; Bair, Anna S.; Johnson, Mary; Fontaine, Philip; Klosin, Jerzy; Pal, Sudipta; Arnold, Polly L.","Stabilization of reactive rare earth alkyl complexes through mechanistic studies.","Chemical science","2024","16","1","280","287","10.1039/d4sc05983b","","x-ray","1.54184","CuKα","","0.0315","0.0303","","","0.0841","0.0851","","","","","","1.11","","","","has coordinates","298094","2025-03-04","18:59:25",""
"1573279","9.8737","0.0001","16.2253","0.0001","17.3545","0.0001","90","","90","","90","","2780.26","0.04","99.9","0.4","99.9","0.4","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H49 N2 Si3 Sm -","- C18 H49 N2 Si3 Sm -","- C72 H196 N8 Si12 Sm4 -","4","1","","Tanuhadi, Elias; Bair, Anna S.; Johnson, Mary; Fontaine, Philip; Klosin, Jerzy; Pal, Sudipta; Arnold, Polly L.","Stabilization of reactive rare earth alkyl complexes through mechanistic studies.","Chemical science","2024","16","1","280","287","10.1039/d4sc05983b","","x-ray","1.54184","CuKα","","0.0313","0.0311","","","0.0855","0.0856","","","","","","1.111","","","","has coordinates","298094","2025-03-04","18:59:25",""
"1573280","16.9327","0.0002","9.5169","0.0001","18.2023","0.0002","90","","90","","90","","2933.24","0.06","100","0.1","100","0.1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C18 H49 P2 Sc Si3 -","- C18 H49 P2 Sc Si3 -","- C72 H196 P8 Sc4 Si12 -","4","1","","Tanuhadi, Elias; Bair, Anna S.; Johnson, Mary; Fontaine, Philip; Klosin, Jerzy; Pal, Sudipta; Arnold, Polly L.","Stabilization of reactive rare earth alkyl complexes through mechanistic studies.","Chemical science","2024","16","1","280","287","10.1039/d4sc05983b","","x-ray","1.54184","CuKα","","0.0604","0.0598","","","0.1431","0.1435","","","","","","1.08","","","","has coordinates","298094","2025-03-04","18:59:25",""
"1573281","11.1358","0.0002","18.3119","0.0003","13.4974","0.0002","90","","92.304","0.002","90","","2750.13","0.08","99.99","0.11","99.99","0.11","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H47 O3 Si3 Y -","- C18 H47 O3 Si3 Y -","- C72 H188 O12 Si12 Y4 -","4","1","","Tanuhadi, Elias; Bair, Anna S.; Johnson, Mary; Fontaine, Philip; Klosin, Jerzy; Pal, Sudipta; Arnold, Polly L.","Stabilization of reactive rare earth alkyl complexes through mechanistic studies.","Chemical science","2024","16","1","280","287","10.1039/d4sc05983b","","x-ray","0.71073","MoKα","","0.0389","0.0302","","","0.0531","0.0547","","","","","","1.099","","","","has coordinates","298094","2025-03-04","18:59:25",""
"1573282","10.4969","0.0001","18.0432","0.0001","18.0533","0.0001","90","","90","","90","","3419.25","0.04","99.98","0.13","99.98","0.13","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H57 Lu O P2 Si3 -","- C22 H57 Lu O P2 Si3 -","- C88 H228 Lu4 O4 P8 Si12 -","4","1","","Tanuhadi, Elias; Bair, Anna S.; Johnson, Mary; Fontaine, Philip; Klosin, Jerzy; Pal, Sudipta; Arnold, Polly L.","Stabilization of reactive rare earth alkyl complexes through mechanistic studies.","Chemical science","2024","16","1","280","287","10.1039/d4sc05983b","","x-ray","1.54184","CuKα","","0.0305","0.0299","","","0.082","0.0825","","","","","","1.063","","","","has coordinates,has disorder","298094","2025-03-04","18:59:25",""
"1573286","8.9321","0.0004","25.8402","0.0011","16.2519","0.0007","90","","95.622","0.002","90","","3733","0.3","253","2","253","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H28 Cl4 P2 Pt -","- C35 H28 Cl4 P2 Pt -","- C140 H112 Cl16 P8 Pt4 -","4","1","","Lindahl, Sarah E.; Metzger, Erin M.; Chen, Chun-Hsing; Pink, Maren; Zaleski, Jeffrey M.","Pronounced electronic modulation of geometrically-regulated metalloenediyne cyclization.","Chemical science","2024","16","1","255","279","10.1039/d4sc05396f","","","0.71073","MoKα","","0.0563","0.0443","","","0.1265","0.1315","","","","","","1.118","","","","has coordinates,has disorder","298103","2025-03-04","19:05:55",""
"1573287","8.7241","0.0004","18.1674","0.0009","24.8336","0.0012","90","","90.885","0.002","90","","3935.5","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43 H42 Cl2 O2 P2 -","- C43 H42 Cl2 O2 P2 -","- C172 H168 Cl8 O8 P8 -","4","1","","Lindahl, Sarah E.; Metzger, Erin M.; Chen, Chun-Hsing; Pink, Maren; Zaleski, Jeffrey M.","Pronounced electronic modulation of geometrically-regulated metalloenediyne cyclization.","Chemical science","2024","16","1","255","279","10.1039/d4sc05396f","","","0.71073","MoKα","","0.0592","0.0463","","","0.122","0.1316","","","","","","1.037","","","","has coordinates,has disorder","298103","2025-03-04","19:05:55",""
"1573288","10.2044","0.0005","19.1296","0.0008","24.2065","0.0012","90","","90.207","0.003","90","","4725.2","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C47 H28 F24 O2 P2 -","- C47 H28 F24 O2 P2 -","- C188 H112 F96 O8 P8 -","4","1","","Lindahl, Sarah E.; Metzger, Erin M.; Chen, Chun-Hsing; Pink, Maren; Zaleski, Jeffrey M.","Pronounced electronic modulation of geometrically-regulated metalloenediyne cyclization.","Chemical science","2024","16","1","255","279","10.1039/d4sc05396f","","","0.71073","MoKα","","0.0802","0.063","","","0.1679","0.1821","","","","","","1.018","","","","has coordinates,has disorder","298103","2025-03-04","19:05:55",""
"1573289","13.4013","0.0013","23.743","0.002","14.4223","0.0013","90","","99.623","0.004","90","","4524.4","0.7","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H18 Cl2 F24 P2 Pt -","- C42 H18 Cl2 F24 P2 Pt -","- C168 H72 Cl8 F96 P8 Pt4 -","4","1","","Lindahl, Sarah E.; Metzger, Erin M.; Chen, Chun-Hsing; Pink, Maren; Zaleski, Jeffrey M.","Pronounced electronic modulation of geometrically-regulated metalloenediyne cyclization.","Chemical science","2024","16","1","255","279","10.1039/d4sc05396f","","","0.71073","MoKα","","0.048","0.0338","","","0.0691","0.074","","","","","","1.019","","","","has coordinates,has disorder","298103","2025-03-04","19:05:55",""
"1573290","9.1022","0.0006","9.6658","0.0007","20.7479","0.0013","91.7747","0.0018","92.4701","0.0018","102.405","0.002","1779.6","0.2","173","","173","","","","","","","","","3","P -1","-P 1","2","","","","- C42 H40 P2 -","- C42 H40 P2 -","- C84 H80 P4 -","2","1","","Lindahl, Sarah E.; Metzger, Erin M.; Chen, Chun-Hsing; Pink, Maren; Zaleski, Jeffrey M.","Pronounced electronic modulation of geometrically-regulated metalloenediyne cyclization.","Chemical science","2024","16","1","255","279","10.1039/d4sc05396f","","","0.71073","MoKα","","0.0788","0.0569","","0.1878","0.1728","0.1878","","","","","","1.0066","","","","has coordinates","298103","2025-03-04","19:05:55",""
"1573291","16.5978","0.0013","19.5096","0.0013","18.9329","0.0014","90","","90","","90","","6130.8","0.8","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C42 H42 Cl2 P2 Pt -","- C42 H42 Cl2 P2 Pt -","- C168 H168 Cl8 P8 Pt4 -","4","0.5","","Lindahl, Sarah E.; Metzger, Erin M.; Chen, Chun-Hsing; Pink, Maren; Zaleski, Jeffrey M.","Pronounced electronic modulation of geometrically-regulated metalloenediyne cyclization.","Chemical science","2024","16","1","255","279","10.1039/d4sc05396f","","","0.71073","MoKα","","0.0543","0.029","","","0.0698","0.0775","","","","","","1.08","","","","has coordinates","298103","2025-03-04","19:05:55",""
"1573292","7.5197","0.0006","17.6155","0.0013","17.7459","0.0013","90","","95.268","0.002","90","","2340.8","0.3","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H34 Cl2 P2 Pt -","- C22 H34 Cl2 P2 Pt -","- C88 H136 Cl8 P8 Pt4 -","4","1","","Lindahl, Sarah E.; Metzger, Erin M.; Chen, Chun-Hsing; Pink, Maren; Zaleski, Jeffrey M.","Pronounced electronic modulation of geometrically-regulated metalloenediyne cyclization.","Chemical science","2024","16","1","255","279","10.1039/d4sc05396f","","","0.71073","MoKα","","0.0688","0.0498","","0.1448","0.1268","0.1448","","","","","","1.0824","","","","has coordinates","298103","2025-03-04","19:05:55",""
"1573293","19.6329","0.0007","14.5514","0.0005","18.4286","0.0007","90","","113.829","0.001","90","","4816","0.3","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H32 Cl2 P2 Pt -","- C22 H32 Cl2 P2 Pt -","- C176 H256 Cl16 P16 Pt8 -","8","2","","Lindahl, Sarah E.; Metzger, Erin M.; Chen, Chun-Hsing; Pink, Maren; Zaleski, Jeffrey M.","Pronounced electronic modulation of geometrically-regulated metalloenediyne cyclization.","Chemical science","2024","16","1","255","279","10.1039/d4sc05396f","","","0.71073","MoKα","","0.0417","0.0236","","0.0615","0.0501","0.0608","","","","","","1.0081","","","","has coordinates","298103","2025-03-04","19:05:55",""
"1573294","10.297","0.003","21.652","0.005","19.471","0.005","90","","104.527","0.01","90","","4202.3","1.9","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H24 Cl4 F12 P2 Pt -","- C39 H24 Cl4 F12 P2 Pt -","- C156 H96 Cl16 F48 P8 Pt4 -","4","1","","Lindahl, Sarah E.; Metzger, Erin M.; Chen, Chun-Hsing; Pink, Maren; Zaleski, Jeffrey M.","Pronounced electronic modulation of geometrically-regulated metalloenediyne cyclization.","Chemical science","2024","16","1","255","279","10.1039/d4sc05396f","","","0.71073","MoKα","","0.0952","0.0588","","0.1642","0.1374","0.1635","","","","","","1.0016","","","","has coordinates,has disorder","298103","2025-03-04","19:05:55",""
"1573295","18.2822","0.0014","17.4936","0.0012","15.4479","0.0018","90","","124.678","0.003","90","","4062.9","0.6","173","","173","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C42 H16 F24 P2 -","- C42 H16 F24 P2 -","- C168 H64 F96 P8 -","4","0.5","","Lindahl, Sarah E.; Metzger, Erin M.; Chen, Chun-Hsing; Pink, Maren; Zaleski, Jeffrey M.","Pronounced electronic modulation of geometrically-regulated metalloenediyne cyclization.","Chemical science","2024","16","1","255","279","10.1039/d4sc05396f","","","0.71073","MoKα","","0.0754","0.0634","","0.1765","0.1648","0.1764","","","","","","0.994","","","","has coordinates,has disorder","298103","2025-03-04","19:05:55",""
"1573296","12.3782","0.001","21.2832","0.0016","17.4143","0.0015","90","","90.947","0.004","90","","4587.1","0.6","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H16 Cl2 F24 P2 Pt -","- C42 H16 Cl2 F24 P2 Pt -","- C168 H64 Cl8 F96 P8 Pt4 -","4","1","","Lindahl, Sarah E.; Metzger, Erin M.; Chen, Chun-Hsing; Pink, Maren; Zaleski, Jeffrey M.","Pronounced electronic modulation of geometrically-regulated metalloenediyne cyclization.","Chemical science","2024","16","1","255","279","10.1039/d4sc05396f","","","0.71073","MoKα","","0.0339","0.0288","","0.0723","0.0694","0.0723","","","","","","1.0357","","","","has coordinates,has disorder","298103","2025-03-04","19:05:55",""
"1573297","22.317","0.003","21.114","0.002","21.952","0.003","90","","90","","90","","10344","2","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C92 H96 Cl20 P4 Pt2 -","- C92 H96 Cl20 P4 Pt2 -","- C368 H384 Cl80 P16 Pt8 -","4","0.5","","Lindahl, Sarah E.; Metzger, Erin M.; Chen, Chun-Hsing; Pink, Maren; Zaleski, Jeffrey M.","Pronounced electronic modulation of geometrically-regulated metalloenediyne cyclization.","Chemical science","2024","16","1","255","279","10.1039/d4sc05396f","","","0.71073","MoKα","","0.0856","0.0598","","","0.1282","0.1403","","","","","","1.176","","","","has coordinates,has disorder","298103","2025-03-04","19:05:55",""
"1573298","10.0737","0.0002","16.5107","0.0004","12.7562","0.0003","90","","104.639","0.001","90","","2052.79","0.08","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H16 Eu N6 O11 -","- C15 H16 Eu N6 O11 -","- C60 H64 Eu4 N24 O44 -","4","1","","Sorace, Lorenzo; Dmitriev, Alexey A.; Perfetti, Mauro; Vostrikova, Kira E.","Slow magnetic relaxation and strong magnetic coupling in the nitroxyl radical complexes of lanthanide(iii) with diamagnetic ground state (Ln = Lu, Eu).","Chemical science","2024","16","1","218","232","10.1039/d4sc05035e","","","0.71073","MoKα","","0.1226","0.055","","","0.0902","0.1167","","","","","","1.029","","","","has coordinates","298091","2025-03-04","18:57:52",""
"1573299","9.9511","0.0002","16.4632","0.0004","12.8156","0.0003","90","","104.088","0.001","90","","2036.39","0.08","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H16 Lu N6 O11 -","- C15 H16 Lu N6 O11 -","- C60 H64 Lu4 N24 O44 -","4","1","","Sorace, Lorenzo; Dmitriev, Alexey A.; Perfetti, Mauro; Vostrikova, Kira E.","Slow magnetic relaxation and strong magnetic coupling in the nitroxyl radical complexes of lanthanide(iii) with diamagnetic ground state (Ln = Lu, Eu).","Chemical science","2024","16","1","218","232","10.1039/d4sc05035e","","","0.71073","MoKα","","0.0159","0.0149","","","0.0312","0.0316","","","","","","1.058","","","","has coordinates","298091","2025-03-04","18:57:53",""
"1573300","9.9067","0.0002","11.5214","0.0003","11.6032","0.0003","93.702","0.002","109.012","0.002","103.102","0.002","1205.68","0.05","149.99","0.1","149.99","0.1","","","","","","","","4","P 1","P 1","1","","","","- C30 H25 N O3 -","- C30 H25 N O3 -","- C60 H50 N2 O6 -","2","2","","He, Yicheng; Yan, Biwei; Ma, Cheng; Ni, Shaofei; Guo, Wusheng","Ni-catalyzed asymmetric decarboxylation for the construction of carbocycles with contiguous quaternary carbon stereocenters.","Chemical science","2025","16","2","834","839","10.1039/d4sc06849a","","x-ray","1.54184","CuKα","","0.0403","0.0392","","","0.1031","0.1045","","","","","","1.04","","","","has coordinates,has disorder","298123","2025-03-04","19:17:13",""
"1573301","7.51317","0.00015","15.2775","0.0003","21.463","0.0004","90","","90","","90","","2463.58","0.08","149.99","0.1","149.99","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H27 N O3 -","- C30 H27 N O3 -","- C120 H108 N4 O12 -","4","1","","He, Yicheng; Yan, Biwei; Ma, Cheng; Ni, Shaofei; Guo, Wusheng","Ni-catalyzed asymmetric decarboxylation for the construction of carbocycles with contiguous quaternary carbon stereocenters.","Chemical science","2025","16","2","834","839","10.1039/d4sc06849a","","x-ray","1.54184","CuKα","","0.0367","0.0351","","","0.0884","0.0903","","","","","","1.05","","","","has coordinates","298123","2025-03-04","19:17:13",""
"1573302","6.22984","0.00013","15.4298","0.0004","22.0803","0.0005","90","","90","","90","","2122.47","0.09","170","0.1","170","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H21 N O2 -","- C28 H21 N O2 -","- C112 H84 N4 O8 -","4","1","","He, Yicheng; Yan, Biwei; Ma, Cheng; Ni, Shaofei; Guo, Wusheng","Ni-catalyzed asymmetric decarboxylation for the construction of carbocycles with contiguous quaternary carbon stereocenters.","Chemical science","2025","16","2","834","839","10.1039/d4sc06849a","","x-ray","1.54184","CuKα","","0.0357","0.0337","","","0.0863","0.0879","","","","","","1.04","","","","has coordinates","298123","2025-03-04","19:17:13",""
"1573303","10.3863","0.0002","13.163","0.0002","14.3802","0.0004","90.6959","0.0018","101.511","0.002","104.786","0.0018","1858.52","0.07","173","2","173.15","","","","","","","","","7","P -1","-P 1","2","","Cu(TFSI)2(bip)2","","- C22 H24 Cu F12 N10 O8 S4 -","- C22 H24 Cu F12 N10 O8 S4 -","- C44 H48 Cu2 F24 N20 O16 S8 -","2","1","","Nishiguchi, Taichi; Ohara, Yuki; Kadota, Kentaro; Zheng, Xin; Noro, Shin-Ichiro; Horike, Satoshi","Mechanically induced polyamorphism in a one-dimensional coordination polymer.","Chemical science","2025","16","2","621","626","10.1039/d4sc07058e","","","1.54187","CuKα","","0.0595","0.0577","","","0.1617","0.1636","","","","","","1.055","","","","has coordinates","298120","2025-03-04","19:16:02",""
"1573309","8.7161","0.0006","9.2511","0.0007","9.8844","0.0007","63.309","0.008","64.432","0.007","72.772","0.007","637.16","0.1","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C14 H15 N3 -","- C14 H15 N3 -","- C28 H30 N6 -","2","1","","Mandal, Mrinal; Mardanya, Sukumar; Saha, Arijit; Singh, Manjeev; Ghosh, Swarnali; Chatterjee, Tanmay; Patra, Ramen; Bhunia, Surojit; Mandal, Saptarshi; Mukherjee, Soumen; Debnath, Rahul; Reddy, C. Malla; Das, Mousumi; Mandal, Prasun K.","Charge-transfer mediated J-aggregation in red emitting ultra-small-single-benzenic <i>meta</i>-fluorophore crystals.","Chemical science","2025","16","2","901","909","10.1039/d4sc06851c","","","1.54184","CuKα","","0.0942","0.0782","","","0.227","0.2367","","","","","","1.125","","","","has coordinates","298119","2025-03-04","19:15:42",""
"1573310","15.292","0.004","10.45","0.003","6.872","0.002","90","","97.614","0.01","90","","1088.5","0.5","301","2","301.05","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 N3 -","- C12 H11 N3 -","- C48 H44 N12 -","4","1","","Mandal, Mrinal; Mardanya, Sukumar; Saha, Arijit; Singh, Manjeev; Ghosh, Swarnali; Chatterjee, Tanmay; Patra, Ramen; Bhunia, Surojit; Mandal, Saptarshi; Mukherjee, Soumen; Debnath, Rahul; Reddy, C. Malla; Das, Mousumi; Mandal, Prasun K.","Charge-transfer mediated J-aggregation in red emitting ultra-small-single-benzenic <i>meta</i>-fluorophore crystals.","Chemical science","2025","16","2","901","909","10.1039/d4sc06851c","","","0.71073","MoKα","","0.1509","0.1058","","","0.2431","0.2667","","","","","","1.126","","","","has coordinates","298119","2025-03-04","19:15:43",""
"1573368","23.5423","0.001","13.8181","0.0006","17.4303","0.0008","90","","96.371","0.0011","90","","5635.2","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C59 H82 Ga2 N4 O P2 -","- C59 H82 Ga2 N4 O P2 -","- C236 H328 Ga8 N16 O4 P8 -","4","1","","Sharma, Mahendra K.; Wölper, Christoph; Siera, Hannah; Haberhauer, Gebhard; Schulz, Stephan","Synthesis and reactivity of a six-membered heterocyclic 1,3-diphosphaallene.","Chemical science","2025","16","3","1189","1196","10.1039/d4sc06371f","","","1.54178","CuKα","","0.0239","0.0238","","","0.0627","0.0628","","","","","","1.052","","","","has coordinates,has disorder","298162","2025-03-04","19:32:05",""
"1573369","26.3977","0.0009","13.4903","0.0005","40.1349","0.0013","90","","91.7723","0.0015","90","","14285.7","0.9","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C72 H108 Ga2 N6 O P2 -","- C72 H108 Ga2 N6 O P2 -","- C576 H864 Ga16 N48 O8 P16 -","8","1","","Sharma, Mahendra K.; Wölper, Christoph; Siera, Hannah; Haberhauer, Gebhard; Schulz, Stephan","Synthesis and reactivity of a six-membered heterocyclic 1,3-diphosphaallene.","Chemical science","2025","16","3","1189","1196","10.1039/d4sc06371f","","","1.54178","CuKα","","0.0568","0.0479","","","0.1128","0.1188","","","","","","1.079","","","","has coordinates,has disorder","298162","2025-03-04","19:32:06",""
"1573370","15.1894","0.0006","13.1269","0.0005","34.6139","0.0013","90","","96.719","0.002","90","","6854.3","0.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C69 H106 Ga2 N4 O P2 Si -","- C69 H106 Ga2 N4 O P2 Si -","- C276 H424 Ga8 N16 O4 P8 Si4 -","4","1","","Sharma, Mahendra K.; Wölper, Christoph; Siera, Hannah; Haberhauer, Gebhard; Schulz, Stephan","Synthesis and reactivity of a six-membered heterocyclic 1,3-diphosphaallene.","Chemical science","2025","16","3","1189","1196","10.1039/d4sc06371f","","","1.54178","CuKα","","0.0674","0.058","","","0.1255","0.1307","","","","","","1.187","","","","has coordinates,has disorder","298162","2025-03-04","19:32:06",""
"1573371","20.731","0.0004","18.24","0.0004","39.5206","0.0007","90","","95.9543","0.0013","90","","14863.4","0.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C79 H111 Ga2 N6 O P2 -","- C79 H111 Ga2 N6 O P2 -","- C632 H888 Ga16 N48 O8 P16 -","8","1","","Sharma, Mahendra K.; Wölper, Christoph; Siera, Hannah; Haberhauer, Gebhard; Schulz, Stephan","Synthesis and reactivity of a six-membered heterocyclic 1,3-diphosphaallene.","Chemical science","2025","16","3","1189","1196","10.1039/d4sc06371f","","","1.54178","CuKα","","0.0352","0.0351","","","0.0894","0.0895","","","","","","1.109","","","","has coordinates","298162","2025-03-04","19:32:06",""
"1573372","9.4004","0.0005","10.111","0.0007","13.6049","0.0009","97.488","0.002","104.094","0.002","95.42","0.002","1232.74","0.14","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H27 N3 O2 S -","- C28 H27 N3 O2 S -","- C56 H54 N6 O4 S2 -","2","1","","Saha, Shib Nath; Ballav, Nityananda; Ghosh, Suman; Baidya, Mahiuddin","Regioselective intermolecular carboamination of allylamines <i>via</i> nucleopalladation: empowering three-component synthesis of vicinal diamines.","Chemical science","2024","16","1","386","392","10.1039/d4sc07630c","","","0.71073","MoKα","","0.0744","0.0493","","","0.1052","0.1165","","","","","","1.078","","","","has coordinates","298093","2025-03-04","18:58:26",""
"1573373","9.9446","0.0003","20.0301","0.0007","18.2275","0.0006","90","","95.7521","0.0016","90","","3612.5","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H21 N3 O -","- C21 H21 N3 O -","- C168 H168 N24 O8 -","8","2","","Saha, Shib Nath; Ballav, Nityananda; Ghosh, Suman; Baidya, Mahiuddin","Regioselective intermolecular carboamination of allylamines <i>via</i> nucleopalladation: empowering three-component synthesis of vicinal diamines.","Chemical science","2024","16","1","386","392","10.1039/d4sc07630c","","","0.71073","MoKα","","0.0932","0.0481","","","0.1105","0.1388","","","","","","1.003","","","","has coordinates","299904","2025-06-02","18:21:25",""
"1573374","9.1472","0.0004","9.2824","0.0004","9.3217","0.0004","97.608","0.001","94.602","0.001","101.377","0.001","764.48","0.06","130","2","130","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H23 B O4 -","- C15 H23 B O4 -","- C30 H46 B2 O8 -","2","1","","Vyas, Het; Gangani, Ashvin J.; Mini, Aiswarya; Pathil, Melissa; Ruth, Austin; Sharma, Abhishek","Strain-release enables access to carbonyl conjugated allylic diborons and alkenyl boronates having multiple contiguous stereocenters in a one-pot process.","Chemical science","2025","16","3","1205","1215","10.1039/d4sc06514j","","","1.54178","CuKα","","0.0704","0.0698","","","0.1839","0.1843","","","","","","1.089","","","","has coordinates","298168","2025-03-04","19:34:36",""
"1573375","17.4121","0.0008","10.4286","0.0005","13.1111","0.0006","90","","109.67","0.002","90","","2241.84","0.18","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H28 B N O7 -","- C22 H28 B N O7 -","- C88 H112 B4 N4 O28 -","4","1","","Vyas, Het; Gangani, Ashvin J.; Mini, Aiswarya; Pathil, Melissa; Ruth, Austin; Sharma, Abhishek","Strain-release enables access to carbonyl conjugated allylic diborons and alkenyl boronates having multiple contiguous stereocenters in a one-pot process.","Chemical science","2025","16","3","1205","1215","10.1039/d4sc06514j","","","1.54178","CuKα","","0.0364","0.0346","","","0.0897","0.0907","","","","","","1.034","","","","has coordinates","298168","2025-03-04","19:34:38",""
"1573376","10.0705","0.0007","18.6804","0.0012","5.758","0.0004","90","","90","","90","","1083.2","0.13","120","2","120","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C9 H7 F6 N5 -","- C9 H7 F6 N5 -","- C36 H28 F24 N20 -","4","1","","Michelini, Lorenzo; Slaney, Tanya; Virk, Seerat; Rafic, Estefanía; Qie, L. Charlie; Corejova, Klara; Lepage, Mathieu L.; Musolino, Stefania F.; Oliver, Allen G.; Etchenique, Roberto; Hong, W. David; DiLabio, Gino A.; Wulff, Jeremy E.","A diazirine's central carbon is sp<sup>2</sup>-hybridized, facilitating conjugation to dye molecules.","Chemical science","2025","16","2","970","979","10.1039/d4sc06427e","","","1.54184","CuKα","","0.0228","0.0227","","","0.0586","0.0586","","","","","","1.082","","","","has coordinates","298118","2025-03-04","19:15:23",""
"1573398","10.6143","0.0004","13.2575","0.0005","19.9774","0.0007","90","","90","","90","","2811.2","0.18","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C34 H28 N2 O6 -","- C34 H28 N2 O6 -","- C136 H112 N8 O24 -","4","0.5","","Zhou, Huan; Zhang, Yuxuan; Zheng, Zhiye; Wan, Junhua; Zhang, Hui; Lin, Kunhua; Sessler, Jonathan L.; Wang, Hongyu","Internally diketopyrrolopyrrole-bridged bis-anthracene macrocycle: a multifunctional fluorescent platform.","Chemical science","2025","16","2","910","919","10.1039/d4sc06067a","","","1.54178","CuKα","","0.0389","0.0377","","","0.1001","0.1008","","","","","","1.181","","","","has coordinates","298122","2025-03-04","19:17:00",""
"1573399","11.1096","0.0007","11.2145","0.0006","15.2337","0.0009","68.402","0.003","79.501","0.004","69.937","0.003","1654.2","0.17","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C80 H66 N16 O8 -","- C80 H66 N16 O8 -","- C80 H66 N16 O8 -","1","0.5","","Zhou, Huan; Zhang, Yuxuan; Zheng, Zhiye; Wan, Junhua; Zhang, Hui; Lin, Kunhua; Sessler, Jonathan L.; Wang, Hongyu","Internally diketopyrrolopyrrole-bridged bis-anthracene macrocycle: a multifunctional fluorescent platform.","Chemical science","2025","16","2","910","919","10.1039/d4sc06067a","","","1.54178","CuKα","","0.0757","0.065","","","0.1861","0.1961","","","","","","1.058","","","","has coordinates","298122","2025-03-04","19:17:01",""
"1573400","14.3247","0.0002","17.1233","0.0002","23.0646","0.0002","96.822","0.001","98.846","0.001","108.196","0.001","5226.07","0.11","100.01","0.15","100.01","0.15","","","","","","","","5","P -1","-P 1","2","","AOF-PyridineLinker","","- C100 H92 Cl3 N16 O18 -","- C100 H93 Cl3 N16 O18 -","- C200 H186 Cl6 N32 O36 -","2","1","","Wang, Shuhe; Sigl, Johannes; Allmendinger, Lars; Maurizot, Victor; Huc, Ivan","Design of an abiotic unimolecular three-helix bundle.","Chemical science","2025","16","3","1136","1146","10.1039/d4sc07336c","","x-ray","1.54184","CuKα","","0.0854","0.0761","","","0.2384","0.2489","","","","","","1.052","","","","has coordinates,has disorder","298167","2025-03-04","19:34:21",""
"1573401","13.1606","0.0001","17.3713","0.0002","24.34","0.0002","95.661","0.001","93.989","0.001","105.354","0.001","5313.14","0.09","99.99","0.1","99.99","0.1","","","","","","","","5","P -1","-P 1","2","","AOF-isoQuinolineLinker","","- C104.52 H93.44 Cl2 N19 O17.94 -","- C104.576 H93.568 Cl2 N19 O17.952 -","- C209.152 H187.136 Cl4 N38 O35.904 -","2","1","","Wang, Shuhe; Sigl, Johannes; Allmendinger, Lars; Maurizot, Victor; Huc, Ivan","Design of an abiotic unimolecular three-helix bundle.","Chemical science","2025","16","3","1136","1146","10.1039/d4sc07336c","","x-ray","1.54184","CuKα","","0.0864","0.0806","","","0.2309","0.2368","","","","","","1.053","","","","has coordinates,has disorder","298167","2025-03-04","19:34:21",""
"1573402","6.4767","0.0001","15.7755","0.0003","7.425","0.0002","90","","100.19","0.002","90","","746.67","0.03","300.2","0.1","300.2","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H16 F N O2 -","- C17 H16 F N O2 -","- C34 H32 F2 N2 O4 -","2","1","","Tian, Kui; Jin, Zhuan; Liu, Xin-Lian; He, Ling; Liu, Hong-Fu; Yu, Pin-Ke; Chang, Xin; Dong, Xiu-Qin; Wang, Chun-Jiang","Stereodivergent assembly of δ-valerolactones with an azaarene-containing quaternary stereocenter enabled by Cu/Ru relay catalysis.","Chemical science","2025","16","3","1233","1240","10.1039/d4sc05852f","","x-ray","1.54184","CuKα","","0.035","0.0336","","","0.093","0.0945","","","","","","1.068","","","","has coordinates","298157","2025-03-04","19:29:53",""
"1573403","7.8385","0.0006","5.253","0.0004","16.8163","0.0013","90","","103.167","0.002","90","","674.22","0.09","123","2","123","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H19 N3 -","- C16 H19 N3 -","- C32 H38 N6 -","2","1","","Pilopp, Yannic; Beer, Henrik; Bresien, Jonas; Michalik, Dirk; Villinger, Alexander; Schulz, Axel","Designing a visible light-mediated double photoswitch: a combination of biradical and azobenzene structural motifs that can be switched independently.","Chemical science","2025","16","2","876","888","10.1039/d4sc07247b","","","0.71073","MoKα","","0.0867","0.0504","","","0.1069","0.1231","","","","","","1.048","","","","has coordinates","298127","2025-03-04","19:18:54",""
"1573404","10.8196","0.0011","21.236","0.002","24.229","0.003","90","","102.703","0.003","90","","5430.7","1","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C65 H67 N5 P2 -","- C65 H67 N5 P2 -","- C260 H268 N20 P8 -","4","1","","Pilopp, Yannic; Beer, Henrik; Bresien, Jonas; Michalik, Dirk; Villinger, Alexander; Schulz, Axel","Designing a visible light-mediated double photoswitch: a combination of biradical and azobenzene structural motifs that can be switched independently.","Chemical science","2025","16","2","876","888","10.1039/d4sc07247b","","","0.71073","MoKα","","0.0802","0.0523","","","0.1244","0.1427","","","","","","1.034","","","","has coordinates","298127","2025-03-04","19:18:54",""
"1573405","7.2792","0.0008","9.3758","0.001","20.838","0.002","90","","99.559","0.002","90","","1402.4","0.3","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 N3 -","- C17 H17 N3 -","- C68 H68 N12 -","4","1","","Pilopp, Yannic; Beer, Henrik; Bresien, Jonas; Michalik, Dirk; Villinger, Alexander; Schulz, Axel","Designing a visible light-mediated double photoswitch: a combination of biradical and azobenzene structural motifs that can be switched independently.","Chemical science","2025","16","2","876","888","10.1039/d4sc07247b","","","0.71073","MoKα","","0.0655","0.0474","","","0.1228","0.1374","","","","","","1.053","","","","has coordinates","298127","2025-03-04","19:18:54",""
"1573406","10.8647","0.0007","21.2993","0.0015","24.1947","0.0018","90","","102.911","0.002","90","","5457.4","0.7","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C65 H66 F N5 P2 -","- C65 H66 F N5 P2 -","- C260 H264 F4 N20 P8 -","4","1","","Pilopp, Yannic; Beer, Henrik; Bresien, Jonas; Michalik, Dirk; Villinger, Alexander; Schulz, Axel","Designing a visible light-mediated double photoswitch: a combination of biradical and azobenzene structural motifs that can be switched independently.","Chemical science","2025","16","2","876","888","10.1039/d4sc07247b","","","0.71073","MoKα","","0.1331","0.0852","","","0.1848","0.1943","","","","","","1.08","","","","has coordinates","298127","2025-03-04","19:18:55",""
"1573407","4.6237","0.0006","9.0404","0.0011","35.034","0.005","90","","90","","90","","1464.4","0.3","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H19 N3 O -","- C17 H19 N3 O -","- C68 H76 N12 O4 -","4","1","","Pilopp, Yannic; Beer, Henrik; Bresien, Jonas; Michalik, Dirk; Villinger, Alexander; Schulz, Axel","Designing a visible light-mediated double photoswitch: a combination of biradical and azobenzene structural motifs that can be switched independently.","Chemical science","2025","16","2","876","888","10.1039/d4sc07247b","","","0.71073","MoKα","","0.0558","0.0439","","","0.107","0.1135","","","","","","1.052","","","","has coordinates","298127","2025-03-04","19:18:55",""
"1573408","18.06498","0.0001","19.02813","0.00013","39.8336","0.0002","90","","94.9425","0.0005","90","","13641.6","0.14","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[Y(Cp*)(FPh)6][{Al[OC(CF3)3]3}2(F)]","","- C206 H123 Al8 F233 O24 Y2 -","- C206 H123 Al8 F233 O24 Y2 -","- C412 H246 Al16 F466 O48 Y4 -","2","0.5","","Corner, Sophie C.; Blackmore, William J. A.; Gransbury, Gemma K.; Mattioni, Andrea; Whitehead, George F. S.; Chilton, Nicholas F.; Mills, David P.","A fluorobenzene-bound dysprosium half-sandwich dication single-molecule magnet.","Chemical science","2025","16","2","610","620","10.1039/d4sc06661h","","x-ray","1.54184","CuKα","","0.1243","0.1186","","","0.3773","0.3889","","","","","","1.919","","","","has coordinates,has disorder","298126","2025-03-04","19:18:29",""
"1573409","15.6166","0.0003","16.3417","0.0005","21.7358","0.0005","90.725","0.002","110.278","0.002","117.066","0.003","4536","0.3","99.99","0.1","99.99","0.1","","","","","","","","4","P -1","-P 1","2","","[Dy(Cp*)(BH4)2]","","- C74 H154 B12 Dy6 -","- C74 H154 B12 Dy6 -","- C148 H308 B24 Dy12 -","2","1","","Corner, Sophie C.; Blackmore, William J. A.; Gransbury, Gemma K.; Mattioni, Andrea; Whitehead, George F. S.; Chilton, Nicholas F.; Mills, David P.","A fluorobenzene-bound dysprosium half-sandwich dication single-molecule magnet.","Chemical science","2025","16","2","610","620","10.1039/d4sc06661h","","x-ray","1.54184","CuKα","","0.066","0.0532","","","0.1447","0.1525","","","","","","1.026","","","","has coordinates,has disorder","298126","2025-03-04","19:18:30",""
"1573410","21.7517","0.0007","20.9203","0.0007","18.7796","0.0005","90","","93.564","0.003","90","","8529.2","0.5","103","5","103","5","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[Dy{OC(CF3)3}2(FPh)5][{Al[OC(CF3)3]3}2(F)]","","- C62 H25 Al2 Dy F78 O8 -","- C62 H25 Al2 Dy F78 O8 -","- C248 H100 Al8 Dy4 F312 O32 -","4","1","","Corner, Sophie C.; Blackmore, William J. A.; Gransbury, Gemma K.; Mattioni, Andrea; Whitehead, George F. S.; Chilton, Nicholas F.; Mills, David P.","A fluorobenzene-bound dysprosium half-sandwich dication single-molecule magnet.","Chemical science","2025","16","2","610","620","10.1039/d4sc06661h","","x-ray","1.54184","CuKα","","0.1512","0.0807","","","0.2111","0.2544","","","","","","1.01","","","","has coordinates,has disorder","298126","2025-03-04","19:18:30",""
"1573411","8.3735","0.0003","20.8167","0.0005","8.5037","0.0003","90","","117.93","0.005","90","","1309.61","0.09","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","[Dy(Cp*)(BH4)2]","","- C10 H23 B2 Dy -","- C10 H23 B2 Dy -","- C40 H92 B8 Dy4 -","4","1","","Corner, Sophie C.; Blackmore, William J. A.; Gransbury, Gemma K.; Mattioni, Andrea; Whitehead, George F. S.; Chilton, Nicholas F.; Mills, David P.","A fluorobenzene-bound dysprosium half-sandwich dication single-molecule magnet.","Chemical science","2025","16","2","610","620","10.1039/d4sc06661h","","x-ray","1.54184","CuKα","","0.0518","0.0485","","","0.1319","0.1347","","","","","","1.065","","","","has coordinates","298126","2025-03-04","19:18:30",""
"1573412","16.9654","0.0002","21.7125","0.0002","14.5559","0.0001","90","","90.735","0.001","90","","5361.39","0.09","99.97","0.12","99.97","0.12","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","[Y(Cp*)(BH4)2]","","- C40 H92 B8 Y4 -","- C40 H92 B8 Y4 -","- C160 H368 B32 Y16 -","4","1","","Corner, Sophie C.; Blackmore, William J. A.; Gransbury, Gemma K.; Mattioni, Andrea; Whitehead, George F. S.; Chilton, Nicholas F.; Mills, David P.","A fluorobenzene-bound dysprosium half-sandwich dication single-molecule magnet.","Chemical science","2025","16","2","610","620","10.1039/d4sc06661h","","x-ray","1.54184","CuKα","","0.0475","0.0332","","","0.0852","0.0913","","","","","","1.041","","","","has coordinates","298126","2025-03-04","19:18:30",""
"1573413","16.6426","0.0005","16.7663","0.0004","18.4889","0.0003","105.461","0.002","104.692","0.002","113.53","0.003","4163.3","0.3","100","0.3","100","0.3","","","","","","","","7","P -1","-P 1","2","","[Y(Cp''')(Cp*)(FPh)2][{Al[OC(CF3)3]3}2(F)]","","- C60 H54 Al2 F57 O6 Si3 Y -","- C60 H54 Al2 F57 O6 Si3 Y -","- C120 H108 Al4 F114 O12 Si6 Y2 -","2","1","","Corner, Sophie C.; Blackmore, William J. A.; Gransbury, Gemma K.; Mattioni, Andrea; Whitehead, George F. S.; Chilton, Nicholas F.; Mills, David P.","A fluorobenzene-bound dysprosium half-sandwich dication single-molecule magnet.","Chemical science","2025","16","2","610","620","10.1039/d4sc06661h","","x-ray","1.54184","CuKα","","0.1057","0.0906","","","0.2566","0.2741","","","","","","1.062","","","","has coordinates,has disorder","298126","2025-03-04","19:18:30",""
"1573414","18.2139","0.0003","19.314","0.0004","40.1803","0.0006","90","","94.849","0.001","90","","14084.2","0.4","99.9","0.2","99.9","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[Dy(Cp*)(FPh)6][{Al[OC(CF3)3]3}2(F)]","","- C206 H123 Al8 Dy2 F233 O24 -","- C206 H123 Al8 Dy2 F233 O24 -","- C412 H246 Al16 Dy4 F466 O48 -","2","0.5","","Corner, Sophie C.; Blackmore, William J. A.; Gransbury, Gemma K.; Mattioni, Andrea; Whitehead, George F. S.; Chilton, Nicholas F.; Mills, David P.","A fluorobenzene-bound dysprosium half-sandwich dication single-molecule magnet.","Chemical science","2025","16","2","610","620","10.1039/d4sc06661h","","x-ray","1.54184","CuKα","","0.1074","0.091","","","0.258","0.2804","","","","","","1.113","","","","has coordinates,has disorder","298126","2025-03-04","19:18:30",""
"1573415","8.6484","0.0007","14.2399","0.0012","13.3208","0.0015","90","","97.498","0.001","90","","1626.5","0.3","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H16 N4 O4 W -","- C14 H16 N4 O4 W -","- C56 H64 N16 O16 W4 -","4","0.5","","Jankins, Tanner C.; Rubel, Camille Z.; Ho, Hang Chi; Martin-Montero, Raul; Engle, Keary M.","Tungsten-catalyzed stereodivergent isomerization of terminal olefins.","Chemical science","2025","16","5","2307","2315","10.1039/d4sc07093c","","x-ray","0.71073","MoKα","","0.0187","0.0183","","","0.045","0.0452","","","","","","1.068","","","","has coordinates","298170","2025-03-04","19:35:12",""
"1573416","8.9455","0.0007","10.6935","0.0007","12.0535","0.0008","66.56","0.002","71.07","0.002","71.049","0.002","974.88","0.12","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C38 H46 N2 O12 W2 -","- C38 H46 N2 O12 W2 -","- C38 H46 N2 O12 W2 -","1","0.5","","Jankins, Tanner C.; Rubel, Camille Z.; Ho, Hang Chi; Martin-Montero, Raul; Engle, Keary M.","Tungsten-catalyzed stereodivergent isomerization of terminal olefins.","Chemical science","2025","16","5","2307","2315","10.1039/d4sc07093c","","x-ray","0.71073","MoKα","K-L~3~","0.0545","0.0419","","","0.0921","0.0962","","","","","","1.028","","","","has coordinates,has disorder","298170","2025-03-04","19:35:13",""
"1573430","12.0996","0.0005","10.9016","0.0005","29.2496","0.0012","90","","96.378","0.004","90","","3834.3","0.3","100.01","0.1","100.01","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C51 H43 N3 -","- C51 H43 N3 -","- C204 H172 N12 -","4","1","","Liu, Le; Song, Shuangji; Lee, Jiyeon; Rao, Yutao; Xu, Ling; Zhou, Mingbo; Yin, Bangshao; Oh, Juwon; Kim, Jiwon; Osuka, Atsuhiro; Song, Jianxin","Sub-<i>m</i>-benziporphyrin: a subcarbaporphyrinoid and its B<sup>III</sup> complex with an unprecedented planar tridentate 14π-aromatic network.","Chemical science","2025","16","3","1155","1160","10.1039/d4sc07199a","","x-ray","1.54184","CuKα","","0.0889","0.0575","","","0.1249","0.1414","","","","","","1.047","","","","has coordinates","298158","2025-03-04","19:30:12",""
"1573431","13.211","0.002","20.856","0.002","15.732","0.003","90","","114.86","0.02","90","","3933","1.2","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C49 H39 B N2 O2 -","- C49 H39 B N2 O2 -","- C196 H156 B4 N8 O8 -","4","1","","Liu, Le; Song, Shuangji; Lee, Jiyeon; Rao, Yutao; Xu, Ling; Zhou, Mingbo; Yin, Bangshao; Oh, Juwon; Kim, Jiwon; Osuka, Atsuhiro; Song, Jianxin","Sub-<i>m</i>-benziporphyrin: a subcarbaporphyrinoid and its B<sup>III</sup> complex with an unprecedented planar tridentate 14π-aromatic network.","Chemical science","2025","16","3","1155","1160","10.1039/d4sc07199a","","x-ray","1.54184","CuKα","","0.1272","0.0543","","","0.1082","0.1332","","","","","","0.778","","","","has coordinates","298158","2025-03-04","19:30:13",""
"1573432","12.2357","0.0004","13.4613","0.0005","14.9649","0.0005","78.284","0.003","77.397","0.003","76.902","0.003","2312.08","0.14","100.01","0.1","100.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C55 H43 B N2 -","- C55 H43 B N2 -","- C110 H86 B2 N4 -","2","1","","Liu, Le; Song, Shuangji; Lee, Jiyeon; Rao, Yutao; Xu, Ling; Zhou, Mingbo; Yin, Bangshao; Oh, Juwon; Kim, Jiwon; Osuka, Atsuhiro; Song, Jianxin","Sub-<i>m</i>-benziporphyrin: a subcarbaporphyrinoid and its B<sup>III</sup> complex with an unprecedented planar tridentate 14π-aromatic network.","Chemical science","2025","16","3","1155","1160","10.1039/d4sc07199a","","x-ray","1.54184","CuKα","","0.046","0.0406","","","0.0999","0.1039","","","","","","1.036","","","","has coordinates","298158","2025-03-04","19:30:13",""
"1573433","14.4553","0.0006","15.13","0.0006","21.027","0.0007","92.22","0.003","94.235","0.003","98.658","0.004","4528.2","0.3","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C50 H41 B N2 O2 -","- C50 H41 B N2 O2 -","- C200 H164 B4 N8 O8 -","4","2","","Liu, Le; Song, Shuangji; Lee, Jiyeon; Rao, Yutao; Xu, Ling; Zhou, Mingbo; Yin, Bangshao; Oh, Juwon; Kim, Jiwon; Osuka, Atsuhiro; Song, Jianxin","Sub-<i>m</i>-benziporphyrin: a subcarbaporphyrinoid and its B<sup>III</sup> complex with an unprecedented planar tridentate 14π-aromatic network.","Chemical science","2025","16","3","1155","1160","10.1039/d4sc07199a","","x-ray","1.54184","CuKα","","0.0881","0.0622","","","0.1525","0.1684","","","","","","1.029","","","","has coordinates","298158","2025-03-04","19:30:13",""
"1573434","11.919","0.0012","12.5825","0.0011","14.8081","0.0016","104.186","0.008","110.328","0.009","96.071","0.008","1974","0.4","99.98","0.1","99.98","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C49 H39 B N2 O -","- C49 H39 B N2 O -","- C98 H78 B2 N4 O2 -","2","1","","Liu, Le; Song, Shuangji; Lee, Jiyeon; Rao, Yutao; Xu, Ling; Zhou, Mingbo; Yin, Bangshao; Oh, Juwon; Kim, Jiwon; Osuka, Atsuhiro; Song, Jianxin","Sub-<i>m</i>-benziporphyrin: a subcarbaporphyrinoid and its B<sup>III</sup> complex with an unprecedented planar tridentate 14π-aromatic network.","Chemical science","2025","16","3","1155","1160","10.1039/d4sc07199a","","x-ray","1.54184","CuKα","","0.1507","0.0818","","","0.1879","0.2274","","","","","","1.027","","","","has coordinates","298158","2025-03-04","19:30:13",""
"1573435","11.6677","0.0012","12.7694","0.0011","14.5328","0.0008","103.399","0.007","109.908","0.008","94.935","0.007","1948","0.3","100.01","0.1","100.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C49 H39 B N2 -","- C49 H39 B N2 -","- C98 H78 B2 N4 -","2","1","","Liu, Le; Song, Shuangji; Lee, Jiyeon; Rao, Yutao; Xu, Ling; Zhou, Mingbo; Yin, Bangshao; Oh, Juwon; Kim, Jiwon; Osuka, Atsuhiro; Song, Jianxin","Sub-<i>m</i>-benziporphyrin: a subcarbaporphyrinoid and its B<sup>III</sup> complex with an unprecedented planar tridentate 14π-aromatic network.","Chemical science","2025","16","3","1155","1160","10.1039/d4sc07199a","","x-ray","1.54184","CuKα","","0.1166","0.0815","","","0.216","0.2447","","","","","","1.047","","","","has coordinates,has disorder","298158","2025-03-04","19:30:13",""
"1573437","23.4316","0.0003","20.2535","0.0003","24.6419","0.0003","90","","104.086","0.001","90","","11342.7","0.3","157","10","157","10","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C126 H170 Mo12 N26 O74 -","- C126 H170 Mo12 N26 O74 -","- C252 H340 Mo24 N52 O148 -","2","0.5","","Yadav, Ankit K.; Gładysiak, Andrzej; Wolpert, Emma H.; Ganose, Alex M.; Samel-Garloff, Bronson; Koley, Dipankar; Jelfs, Kim E.; Stylianou, Kyriakos C.","Solvatomorphic diversity dictates the stability and solubility of metal-organic polyhedra.","Chemical science","2025","16","6","2589","2599","10.1039/d4sc05037a","","x-ray","1.54184","CuKα","","0.0978","0.0865","","","0.2315","0.2405","","","","","","0.89","","","","has coordinates","298128","2025-03-04","19:19:49",""
"1573438","20.6212","0.0003","20.6212","0.0003","15.9529","0.0003","90","","90","","120","","5874.87","0.16","149.98","0.1","149.98","0.1","","","","","","","","5","P 6/m","-P 6","175","","","","- C108 H108 Mo12 N18 O72 -","- C108 H114 Mo12 N18 O72 -","- C108 H114 Mo12 N18 O72 -","1","0.0833333","","Yadav, Ankit K.; Gładysiak, Andrzej; Wolpert, Emma H.; Ganose, Alex M.; Samel-Garloff, Bronson; Koley, Dipankar; Jelfs, Kim E.; Stylianou, Kyriakos C.","Solvatomorphic diversity dictates the stability and solubility of metal-organic polyhedra.","Chemical science","2025","16","6","2589","2599","10.1039/d4sc05037a","","x-ray","1.54184","CuKα","","0.1377","0.134","","","0.3398","0.3421","","","","","","1.069","","","","has coordinates,has disorder","298128","2025-03-04","19:19:51",""
"1573439","18.9295","0.0007","20.8274","0.0003","31.777","0.0008","84.01","0.002","86.075","0.003","80.923","0.002","12286.5","0.6","151","1","151","1","","","","","","","","5","P -1","-P 1","2","","","","- C120 H132 Mo12 N18 O72 -","- C120 H132 Mo12 N18 O72 -","- C240 H264 Mo24 N36 O144 -","2","1","","Yadav, Ankit K.; Gładysiak, Andrzej; Wolpert, Emma H.; Ganose, Alex M.; Samel-Garloff, Bronson; Koley, Dipankar; Jelfs, Kim E.; Stylianou, Kyriakos C.","Solvatomorphic diversity dictates the stability and solubility of metal-organic polyhedra.","Chemical science","2025","16","6","2589","2599","10.1039/d4sc05037a","","x-ray","1.54184","CuKα","","0.2006","0.1516","","","0.3612","0.4018","","","","","","1.023","","","","has coordinates","298128","2025-03-04","19:20:19",""
"1573440","23.4926","0.0003","21.0361","0.0002","24.7119","0.0003","90","","103.643","0.001","90","","11867.9","0.2","156","9","156","9","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C144 H204 Mo12 N24 O72 -","- C144 H204 Mo12 N24 O72 -","- C288 H408 Mo24 N48 O144 -","2","0.5","","Yadav, Ankit K.; Gładysiak, Andrzej; Wolpert, Emma H.; Ganose, Alex M.; Samel-Garloff, Bronson; Koley, Dipankar; Jelfs, Kim E.; Stylianou, Kyriakos C.","Solvatomorphic diversity dictates the stability and solubility of metal-organic polyhedra.","Chemical science","2025","16","6","2589","2599","10.1039/d4sc05037a","","x-ray","1.54184","CuKα","","0.0834","0.0686","","","0.1625","0.1739","","","","","","1.045","","","","has coordinates","298128","2025-03-04","19:20:19",""
"1573441","37.4589","0.0018","29.3487","0.0009","20.1896","0.0006","90","","90","","90","","22195.8","1.4","150.5","0.9","150.5","0.9","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C112 H122 Mo12 N20 O72 -","- C112 H120 Mo12 N20 O72 -","- C448 H480 Mo48 N80 O288 -","4","0.25","","Yadav, Ankit K.; Gładysiak, Andrzej; Wolpert, Emma H.; Ganose, Alex M.; Samel-Garloff, Bronson; Koley, Dipankar; Jelfs, Kim E.; Stylianou, Kyriakos C.","Solvatomorphic diversity dictates the stability and solubility of metal-organic polyhedra.","Chemical science","2025","16","6","2589","2599","10.1039/d4sc05037a","","x-ray","1.54184","CuKα","","0.104","0.0809","","","0.2115","0.2293","","","","","","0.944","","","","has coordinates,has disorder","298128","2025-03-04","19:20:19",""
"1573442","8.0413","0.0005","14.3206","0.0008","21.6156","0.0008","78.691","0.004","88.151","0.004","87.222","0.005","2437.3","0.2","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","2,5-bis(4-(2,1,3-benzoxadiazolyl))-1,4-bis(4-dodecylphenyl)-1,4-dihydropyrrolo[3,2-b]pyrrole","","- C54.83 H67.65 Cl1.65 N6 O2 -","- C54.824 H67.648 Cl1.648 N6 O2 -","- C109.648 H135.296 Cl3.296 N12 O4 -","2","1","","Szymański, Bartosz; Sahoo, Smruti Ranjan; Vakuliuk, Olena; Valiev, Rashid; Ramazanov, Ruslan; Łaski, Piotr; Jarzembska, Katarzyna N.; Kamiński, Radosław; Teimouri, Mohammad B.; Baryshnikov, Glib; Gryko, Daniel T.","Shedding new light on quadrupolar 1,4-dihydropyrrolo[3,2-<i>b</i>]pyrroles: impact of electron-deficient scaffolds over emission.","Chemical science","2025","16","5","2170","2179","10.1039/d4sc07275h","","x-ray","1.54184","CuKα","","0.0999","0.0732","","","0.1985","0.226","","","","","","1.049","","","","has coordinates,has disorder","298109","2025-03-04","19:08:59",""
"1573443","6.81179","0.00012","8.26449","0.00016","20.8251","0.0004","92.8453","0.0016","96.3218","0.0015","95.0155","0.0015","1158.7","0.04","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C54 H66 N6 S2 -","- C54 H66 N6 S2 -","- C54 H66 N6 S2 -","1","0.5","","Szymański, Bartosz; Sahoo, Smruti Ranjan; Vakuliuk, Olena; Valiev, Rashid; Ramazanov, Ruslan; Łaski, Piotr; Jarzembska, Katarzyna N.; Kamiński, Radosław; Teimouri, Mohammad B.; Baryshnikov, Glib; Gryko, Daniel T.","Shedding new light on quadrupolar 1,4-dihydropyrrolo[3,2-<i>b</i>]pyrroles: impact of electron-deficient scaffolds over emission.","Chemical science","2025","16","5","2170","2179","10.1039/d4sc07275h","","","1.54184","CuKα","","0.0386","0.0345","","","0.0966","0.1064","","","","","","1.115","","","","has coordinates","298109","2025-03-04","19:09:00",""
"1573444","47.3727","0.0018","10.9462","0.0005","9.5717","0.0004","90","","90.519","0.004","90","","4963.2","0.4","120","","120.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C54 H64 N8 O6 -","- C54 H64 N8 O6 -","- C216 H256 N32 O24 -","4","0.5","","Szymański, Bartosz; Sahoo, Smruti Ranjan; Vakuliuk, Olena; Valiev, Rashid; Ramazanov, Ruslan; Łaski, Piotr; Jarzembska, Katarzyna N.; Kamiński, Radosław; Teimouri, Mohammad B.; Baryshnikov, Glib; Gryko, Daniel T.","Shedding new light on quadrupolar 1,4-dihydropyrrolo[3,2-<i>b</i>]pyrroles: impact of electron-deficient scaffolds over emission.","Chemical science","2025","16","5","2170","2179","10.1039/d4sc07275h","","","1.54184","CuKα","","0.1034","0.0561","","","0.134","0.1579","","","","","","1.037","","","","has coordinates","298109","2025-03-04","19:09:00",""
"1573445","6.73075","0.00018","13.0685","0.0004","14.6429","0.0004","90","","91.099","0.003","90","","1287.76","0.06","100","","100.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H22 N6 S2 -","- C32 H22 N6 S2 -","- C64 H44 N12 S4 -","2","0.5","","Szymański, Bartosz; Sahoo, Smruti Ranjan; Vakuliuk, Olena; Valiev, Rashid; Ramazanov, Ruslan; Łaski, Piotr; Jarzembska, Katarzyna N.; Kamiński, Radosław; Teimouri, Mohammad B.; Baryshnikov, Glib; Gryko, Daniel T.","Shedding new light on quadrupolar 1,4-dihydropyrrolo[3,2-<i>b</i>]pyrroles: impact of electron-deficient scaffolds over emission.","Chemical science","2025","16","5","2170","2179","10.1039/d4sc07275h","","","1.54184","CuKα","","0.0552","0.0472","","","0.1272","0.1329","","","","","","1.126","","","","has coordinates","298109","2025-03-04","19:09:00",""
"1573446","23.4345","0.0004","7.9786","0.0002","13.6019","0.0002","90","","105.599","0.002","90","","2449.54","0.09","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C32 H22 N6 O2 -","- C32 H22 N6 O2 -","- C128 H88 N24 O8 -","4","0.5","","Szymański, Bartosz; Sahoo, Smruti Ranjan; Vakuliuk, Olena; Valiev, Rashid; Ramazanov, Ruslan; Łaski, Piotr; Jarzembska, Katarzyna N.; Kamiński, Radosław; Teimouri, Mohammad B.; Baryshnikov, Glib; Gryko, Daniel T.","Shedding new light on quadrupolar 1,4-dihydropyrrolo[3,2-<i>b</i>]pyrroles: impact of electron-deficient scaffolds over emission.","Chemical science","2025","16","5","2170","2179","10.1039/d4sc07275h","","x-ray","1.54184","CuKα","","0.0392","0.0358","","","0.0948","0.0969","","","","","","1.05","","","","has coordinates","298109","2025-03-04","19:09:00",""
"1573447","26.3539","0.0014","5.7949","0.0002","16.2792","0.0011","90","","106.857","0.007","90","","2379.3","0.2","100","","100.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C54 H66 N6 S2 -","- C54 H66 N6 S2 -","- C108 H132 N12 S4 -","2","0.5","","Szymański, Bartosz; Sahoo, Smruti Ranjan; Vakuliuk, Olena; Valiev, Rashid; Ramazanov, Ruslan; Łaski, Piotr; Jarzembska, Katarzyna N.; Kamiński, Radosław; Teimouri, Mohammad B.; Baryshnikov, Glib; Gryko, Daniel T.","Shedding new light on quadrupolar 1,4-dihydropyrrolo[3,2-<i>b</i>]pyrroles: impact of electron-deficient scaffolds over emission.","Chemical science","2025","16","5","2170","2179","10.1039/d4sc07275h","","","1.54184","CuKα","","0.097","0.0634","","","0.1691","0.1972","","","","","","1.067","","","","has coordinates","298109","2025-03-04","19:09:00",""
"1573448","12.653","0.0002","17.7756","0.0003","18.8818","0.0004","90","","102.848","0.002","90","","4140.47","0.13","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C46 H50 N6 O4 -","- C46 H50 N6 O4 -","- C184 H200 N24 O16 -","4","1","","Szymański, Bartosz; Sahoo, Smruti Ranjan; Vakuliuk, Olena; Valiev, Rashid; Ramazanov, Ruslan; Łaski, Piotr; Jarzembska, Katarzyna N.; Kamiński, Radosław; Teimouri, Mohammad B.; Baryshnikov, Glib; Gryko, Daniel T.","Shedding new light on quadrupolar 1,4-dihydropyrrolo[3,2-<i>b</i>]pyrroles: impact of electron-deficient scaffolds over emission.","Chemical science","2025","16","5","2170","2179","10.1039/d4sc07275h","","","1.54184","CuKα","","0.0846","0.0548","","","0.1347","0.1591","","","","","","1.022","","","","has coordinates,has disorder","298109","2025-03-04","19:09:00",""
"1573449","15.31573","0.00019","15.31573","0.00019","56.9773","0.0007","90","","90","","120","","11574.7","0.2","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C60 H59 N24 O29.5 Zn9 -","- C60 H48 N24 O24 Zn9 -","- C360 H288 N144 O144 Zn54 -","6","0.166667","","Tao, Ye; Dong, Qiubing; Wan, Jingmeng; Huang, Fu-Ping; Duan, Jingui; Zeng, Ming-Hua","Evolution from [Zn<sub>9</sub>] to a record-high [Zn<sub>54</sub>] subblock and engineering a hierarchical supramolecular framework for enhanced iodine uptake.","Chemical science","2025","16","4","1730","1736","10.1039/d4sc04474f","","x-ray","0.71073","MoKα","","0.042","0.0355","","","0.0976","0.103","","","","","","1.036","","","","has coordinates","298116","2025-03-04","19:14:24",""
"1573450","58.9792","0.0003","58.9792","0.0003","58.9792","0.0003","90","","90","","90","","205162","1.8","100","0.1","100","0.1","","","","","","","","6","F d -3 :2","-F 2uv 2vw 3","203","","","","- C348 H288 I56.6 N156 O118.8 Zn54 -","- C348 H288 I9.5984 N156 O118.8 Zn54 -","- C2784 H2304 I76.7872 N1248 O950.4 Zn432 -","8","0.0833333","","Tao, Ye; Dong, Qiubing; Wan, Jingmeng; Huang, Fu-Ping; Duan, Jingui; Zeng, Ming-Hua","Evolution from [Zn<sub>9</sub>] to a record-high [Zn<sub>54</sub>] subblock and engineering a hierarchical supramolecular framework for enhanced iodine uptake.","Chemical science","2025","16","4","1730","1736","10.1039/d4sc04474f","","x-ray","1.54184","CuKα","","0.0865","0.0672","","","0.2132","0.2336","","","","","","1.001","","","","has coordinates,has disorder","298116","2025-03-04","19:14:24",""
"1573451","58.3017","0.0002","58.3017","0.0002","58.3017","0.0002","90","","90","","90","","198173","1.2","100","0.1","100","0.1","","","","","","","","5","F d -3 :2","-F 2uv 2vw 3","203","","","","- C523.2 H705.2 N195.61 O170 Zn54 -","- C385.2 H367.2 N165.6 O108 Zn54 -","- C3081.6 H2937.6 N1324.8 O864 Zn432 -","8","0.0833333","","Tao, Ye; Dong, Qiubing; Wan, Jingmeng; Huang, Fu-Ping; Duan, Jingui; Zeng, Ming-Hua","Evolution from [Zn<sub>9</sub>] to a record-high [Zn<sub>54</sub>] subblock and engineering a hierarchical supramolecular framework for enhanced iodine uptake.","Chemical science","2025","16","4","1730","1736","10.1039/d4sc04474f","","x-ray","1.54184","CuKα","","0.0434","0.039","","","0.1259","0.1288","","","","","","1.012","","","","has coordinates,has disorder","298116","2025-03-04","19:14:24",""
"1573455","13.8725","0.0009","29.1188","0.0018","9.362","0.0006","90","","127.298","0.002","90","","3008.4","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H22 Br2 F2 N4 O2 -","- C34 H22 Br2 F2 N4 O2 -","- C136 H88 Br8 F8 N16 O8 -","4","0.5","","Qi, Liang-Wen; Twumasi, Emmanuella Bema; Li, Xiao-Wei; Li, Rui; Lu, Yixin","Reductive coupling of azonaphthalenes for the synthesis of BINAMs <i>via</i> a diboron-enabled [5,5]-sigmatropic rearrangement.","Chemical science","2025","16","3","1441","1446","10.1039/d4sc06273f","","","0.71073","MoKα","","0.0313","0.0266","","","0.064","0.0665","","","","","","1.034","","","","has coordinates,has disorder","298160","2025-03-04","19:30:44",""
"1573456","20.812","0.007","7.486","0.003","13.413","0.004","90","","105.313","0.007","90","","2015.5","1.2","110","","110","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H19 N O S -","- C28 H19 N O S -","- C112 H76 N4 O4 S4 -","4","1","","Sharangi, Sanhati; Chakraborty, Barsha; Jha, Raushan Kumar; Mandal, Swarnadeep; Koner, Apurba Lal; Kumar, Sangit","Regio- and diastereoselective synthesis of cyclobutylated phenothiazines <i>via</i> [2 + 2] photocycloaddition: demonstrating wavelength-gated cycloreversion inside live cells.","Chemical science","2025","16","2","709","720","10.1039/d4sc07817a","","","0.71073","MoKα","","0.1384","0.0915","","","0.2075","0.2539","","","","","","1.024","","","","has coordinates","298121","2025-03-04","19:16:46",""
"1573457","23.545","0.002","7.4959","0.0007","24.005","0.002","90","","117.294","0.004","90","","3765","0.6","140","2","140","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 N O S -","- C25 N O S -","- C200 N8 O8 S8 -","8","2","","Sharangi, Sanhati; Chakraborty, Barsha; Jha, Raushan Kumar; Mandal, Swarnadeep; Koner, Apurba Lal; Kumar, Sangit","Regio- and diastereoselective synthesis of cyclobutylated phenothiazines <i>via</i> [2 + 2] photocycloaddition: demonstrating wavelength-gated cycloreversion inside live cells.","Chemical science","2025","16","2","709","720","10.1039/d4sc07817a","","","0.71073","MoKα","","0.1572","0.0912","","","0.2367","0.2903","","","","","","1.039","","","","has coordinates","299904","2025-06-02","18:21:25",""
"1573458","11.7018","0.0007","13.6726","0.0008","21.985","0.0014","90","","91.133","0.003","90","","3516.8","0.4","139","2","139","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H17 N O S -","- C24 H17 N O S -","- C192 H136 N8 O8 S8 -","8","2","","Sharangi, Sanhati; Chakraborty, Barsha; Jha, Raushan Kumar; Mandal, Swarnadeep; Koner, Apurba Lal; Kumar, Sangit","Regio- and diastereoselective synthesis of cyclobutylated phenothiazines <i>via</i> [2 + 2] photocycloaddition: demonstrating wavelength-gated cycloreversion inside live cells.","Chemical science","2025","16","2","709","720","10.1039/d4sc07817a","","","0.71073","MoKα","","0.0656","0.0458","","","0.1164","0.131","","","","","","1.032","","","","has coordinates","299904","2025-06-02","18:21:25",""
"1573459","8.381","0.002","20.496","0.007","11.336","0.004","90","","105.075","0.007","90","","1880.3","1","140","2","140","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H19 N O S -","- C25 H19 N O S -","- C100 H76 N4 O4 S4 -","4","1","","Sharangi, Sanhati; Chakraborty, Barsha; Jha, Raushan Kumar; Mandal, Swarnadeep; Koner, Apurba Lal; Kumar, Sangit","Regio- and diastereoselective synthesis of cyclobutylated phenothiazines <i>via</i> [2 + 2] photocycloaddition: demonstrating wavelength-gated cycloreversion inside live cells.","Chemical science","2025","16","2","709","720","10.1039/d4sc07817a","","","0.71073","MoKα","","0.0447","0.0397","","","0.0973","0.1008","","","","","","1.043","","","","has coordinates","298121","2025-03-04","19:16:46",""
"1573460","32.1279","0.0014","32.1279","0.0014","9.3505","0.0005","90","","90","","120","","8358.5","0.7","140","2","140","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C24 H19 N O S -","- C24 H19 N O S -","- C432 H342 N18 O18 S18 -","18","1","","Sharangi, Sanhati; Chakraborty, Barsha; Jha, Raushan Kumar; Mandal, Swarnadeep; Koner, Apurba Lal; Kumar, Sangit","Regio- and diastereoselective synthesis of cyclobutylated phenothiazines <i>via</i> [2 + 2] photocycloaddition: demonstrating wavelength-gated cycloreversion inside live cells.","Chemical science","2025","16","2","709","720","10.1039/d4sc07817a","","","1.54178","CuKα","","0.0895","0.0713","","","0.2071","0.2249","","","","","","1.146","","","","has coordinates","298121","2025-03-04","19:16:46",""
"1573461","5.9514","0.0019","16.6","0.005","22.163","0.007","90","","90.368","0.014","90","","2189.5","1.2","120","2","120","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H21 N O S -","- C30 H21 N O S -","- C120 H84 N4 O4 S4 -","4","2","","Sharangi, Sanhati; Chakraborty, Barsha; Jha, Raushan Kumar; Mandal, Swarnadeep; Koner, Apurba Lal; Kumar, Sangit","Regio- and diastereoselective synthesis of cyclobutylated phenothiazines <i>via</i> [2 + 2] photocycloaddition: demonstrating wavelength-gated cycloreversion inside live cells.","Chemical science","2025","16","2","709","720","10.1039/d4sc07817a","","","0.71073","MoKα","","0.235","0.1177","","","0.2794","0.3453","","","","","","1.024","","","","has coordinates","299904","2025-06-02","18:21:25",""
"1573462","12.2581","0.0006","25.0852","0.0011","12.7705","0.0006","90","","95.524","0.002","90","","3908.7","0.3","100","2","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H19 N O S -","- C26 H19 N O S -","- C208 H152 N8 O8 S8 -","8","2","","Sharangi, Sanhati; Chakraborty, Barsha; Jha, Raushan Kumar; Mandal, Swarnadeep; Koner, Apurba Lal; Kumar, Sangit","Regio- and diastereoselective synthesis of cyclobutylated phenothiazines <i>via</i> [2 + 2] photocycloaddition: demonstrating wavelength-gated cycloreversion inside live cells.","Chemical science","2025","16","2","709","720","10.1039/d4sc07817a","","","0.71073","MoKα","","0.0447","0.0389","","","0.1032","0.1088","","","","","","1.022","","","","has coordinates","299904","2025-06-02","18:21:25",""
"1573463","7.3105","0.0008","9.5818","0.001","26.479","0.003","90","","90","","90","","1854.8","0.4","140","2","140","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H17 N O2 S -","- C24 H17 N O2 S -","- C96 H68 N4 O8 S4 -","4","1","","Sharangi, Sanhati; Chakraborty, Barsha; Jha, Raushan Kumar; Mandal, Swarnadeep; Koner, Apurba Lal; Kumar, Sangit","Regio- and diastereoselective synthesis of cyclobutylated phenothiazines <i>via</i> [2 + 2] photocycloaddition: demonstrating wavelength-gated cycloreversion inside live cells.","Chemical science","2025","16","2","709","720","10.1039/d4sc07817a","","","0.71073","MoKα","","0.1755","0.0689","","","0.1323","0.1729","","","","","","0.9935","","","","has coordinates","298121","2025-03-04","19:16:46",""
"1573464","7.2891","0.0001","9.7884","0.0002","15.6447","0.0003","88.064","0.001","84.589","0.001","80.174","0.001","1094.77","0.03","300","","300","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H25 F O6 -","- C26 H25 F O6 -","- C52 H50 F2 O12 -","2","1","","Zhang, Kuan; Gao, Zhengyang; Xia, Yan; Li, Pengfei; Gao, Pin; Duan, Xin-Hua; Guo, Li-Na","Synthesis of fluorine-containing bicyclo[4.1.1]octenes <i>via</i> photocatalyzed defluorinative (4 + 3) annulation of bicyclo[1.1.0]butanes with <i>gem</i>-difluoroalkenes.","Chemical science","2025","16","3","1411","1416","10.1039/d4sc07243j","","","1.54184","CuKα","","0.0491","0.0474","","","0.1264","0.1282","","","","","","1.03","","","","has coordinates","298165","2025-03-04","19:33:24",""
"1573465","11.4103","0.0002","16.6264","0.0003","9.2337","0.0001","90","","90","","90","","1751.75","0.05","301","","301","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C22 H19 F O2 -","- C22 H19 F O2 -","- C88 H76 F4 O8 -","4","1","","Zhang, Kuan; Gao, Zhengyang; Xia, Yan; Li, Pengfei; Gao, Pin; Duan, Xin-Hua; Guo, Li-Na","Synthesis of fluorine-containing bicyclo[4.1.1]octenes <i>via</i> photocatalyzed defluorinative (4 + 3) annulation of bicyclo[1.1.0]butanes with <i>gem</i>-difluoroalkenes.","Chemical science","2025","16","3","1411","1416","10.1039/d4sc07243j","","","1.54178","CuKα","","0.0376","0.0355","","","0.0949","0.0972","","","","","","1.027","","","","has coordinates","298165","2025-03-04","19:33:34",""
"1573466","9.5134","0.0015","9.874","0.0015","24.656","0.004","90","","90","","90","","2316.1","0.6","140","2","140","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C27 H22 F3 Fe N O2 S -","- C27 H22 F3 Fe N O2 S -","- C108 H88 F12 Fe4 N4 O8 S4 -","4","1","","Parganiha, Devendra; Thorat, Raviraj Ananda; Dhumale, Ashwini Dilip; Upadhyay, Yagya Dutt; Jha, Raushan Kumar; Raju, Saravanan; Kumar, Sangit","Substrate NOBINAc ligand affinity for Pd<sup>II</sup>-catalyzed enantioselective C-H activation over reactive β-C-H bonds in ferrocenyl amines.","Chemical science","2025","16","2","700","708","10.1039/d4sc06867j","","","1.54178","CuKα","","0.1008","0.094","","","0.2625","0.268","","","","","","1.115","","","","has coordinates,has disorder","298117","2025-03-04","19:15:05",""
"1573467","9.65","0.0006","10.5668","0.0006","11.6109","0.0008","89.893","0.002","69.144","0.002","67.203","0.002","1007.15","0.11","103","2","103","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H20 F3 Fe N O2 S -","- C22 H20 F3 Fe N O2 S -","- C44 H40 F6 Fe2 N2 O4 S2 -","2","1","","Parganiha, Devendra; Thorat, Raviraj Ananda; Dhumale, Ashwini Dilip; Upadhyay, Yagya Dutt; Jha, Raushan Kumar; Raju, Saravanan; Kumar, Sangit","Substrate NOBINAc ligand affinity for Pd<sup>II</sup>-catalyzed enantioselective C-H activation over reactive β-C-H bonds in ferrocenyl amines.","Chemical science","2025","16","2","700","708","10.1039/d4sc06867j","","","0.71073","MoKα","","0.0346","0.0296","","","0.0749","0.0788","","","","","","1.028","","","","has coordinates","301209","2025-07-10","11:18:53",""
"1573468","9.5665","0.0014","9.829","0.0017","25.415","0.004","90","","90","","90","","2389.8","0.7","303","","303","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C27 H22 F3 Fe N O2 S -","- C27 H22 F3 Fe N O2 S -","- C108 H88 F12 Fe4 N4 O8 S4 -","4","1","","Parganiha, Devendra; Thorat, Raviraj Ananda; Dhumale, Ashwini Dilip; Upadhyay, Yagya Dutt; Jha, Raushan Kumar; Raju, Saravanan; Kumar, Sangit","Substrate NOBINAc ligand affinity for Pd<sup>II</sup>-catalyzed enantioselective C-H activation over reactive β-C-H bonds in ferrocenyl amines.","Chemical science","2025","16","2","700","708","10.1039/d4sc06867j","","","0.71073","MoKα","","0.0507","0.0388","","","0.0892","0.0959","","","","","","1.049","","","","has coordinates","298117","2025-03-04","19:15:07",""
"1573541","12.6672","0.0014","6.1624","0.0006","18.016","0.002","90","","106.967","0.012","90","","1345.1","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H28 Na4 O10 P2 -","- C22 H28 Na4 O10 P2 -","- C44 H56 Na8 O20 P4 -","2","0.5","","Zhang, Yan; Apostol, Petru; Rambabu, Darsi; Guo, Xiaolong; Liu, Xuelian; Lin, Xiaodong; Xie, Haijiao; Chen, Xiaohua; Robeyns, Koen; Wang, Jiande; Wang, Junzhong; Vlad, Alexandru","Ionically conducting Li- and Na-phosphonates as organic electrode materials for rechargeable batteries.","Chemical science","2025","16","4","1819","1825","10.1039/d4sc07732f","","","0.71073","MoKα","","0.1318","0.0878","","","0.1694","0.1881","","","","","","1.116","","","","has coordinates","298115","2025-03-04","19:13:04",""
"1573542","15.8224","0.0005","21.9763","0.0006","28.7119","0.0012","90","","93.501","0.003","90","","9965","0.6","100","2","100","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C86 H44 N2 -","- C86 H44 N2 -","- C688 H352 N16 -","8","1","","Nakamura, Tomoya; Nagai, Takabumi; Miyake, Yuki; Yamada, Takumi; Miura, Makoto; Yoshida, Hiroyuki; Kanemitsu, Yoshihiko; Truong, Minh Anh; Murdey, Richard; Wakamiya, Atsushi","Single-isomer bis(pyrrolidino)fullerenes as electron-transporting materials for tin halide perovskite solar cells.","Chemical science","2025","16","5","2265","2272","10.1039/d4sc07031c","","","0.71073","MoKα","","0.1709","0.1094","","","0.2079","0.2343","","","","","","1.134","","","","has coordinates,has disorder","298090","2025-03-04","18:57:31",""
"1573543","9.86943","0.00017","17.5275","0.0003","26.1199","0.0005","95.7908","0.0014","99.8803","0.0015","106.339","0.0016","4218.1","0.14","131","19","131","19","","","","","","","","4","P -1","-P 1","2","","","","- C27 H20 F2 O3 -","- C27 H20 F2 O3 -","- C216 H160 F16 O24 -","8","4","","Li, Na; Li, Chenghui; Zhou, Qianying; Zhang, Xin; Deng, Zhouming; Jiang, Zhong-Xing; Yang, Zhigang","General access to furan-substituted <i>gem</i>-difluoroalkenes enabled by PFTB-promoted cross-coupling of ene-yne-ketones and difluorocarbene.","Chemical science","2025","16","3","1455","1464","10.1039/d4sc08247h","","x-ray","1.54184","CuKα","","0.0927","0.0645","","","0.2025","0.2588","","","","","","1.128","","","","has coordinates,has disorder","298161","2025-03-04","19:30:53",""
"1573545","9.804","0.005","16.35","0.011","13.564","0.007","90","","108.989","0.015","90","","2056","2","110","","110","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H21 B N4 O -","- C26 H21 B N4 O -","- C104 H84 B4 N16 O4 -","4","1","","Watson, Alexander E. R.; Boyle, Paul D.; Ragogna, Paul J.; Gilroy, Joe B.","Ligand protonation leads to highly fluorescent boronium cations.","Chemical science","2025","16","5","2258","2264","10.1039/d4sc06392a","","","0.71073","MoKα","","0.076","0.0489","","","0.1202","0.1367","","","","","","1.021","","","","has coordinates","298169","2025-03-04","19:34:55",""
"1573546","9.673","0.004","16.008","0.008","20.119","0.009","90","","90","","90","","3115","2","110","","110","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H32 B Cl3 N4 O -","- C34 H32 B Cl3 N4 O -","- C136 H128 B4 Cl12 N16 O4 -","4","1","","Watson, Alexander E. R.; Boyle, Paul D.; Ragogna, Paul J.; Gilroy, Joe B.","Ligand protonation leads to highly fluorescent boronium cations.","Chemical science","2025","16","5","2258","2264","10.1039/d4sc06392a","","","0.71073","MoKα","","0.0407","0.0331","","","0.0819","0.0862","","","","","","1.024","","","","has coordinates","298169","2025-03-04","19:34:56",""
"1573547","8.8668","0.0004","8.8668","0.0004","8.7669","0.0004","90","","90","","90","","689.25","0.05","293","2","293","2","","","","","","","","6","P -4 21 m","P -4 2ab","113","","","","- B2 Ba Ca Cs F O5 -","- B2 Ba Ca Cs F O5 -","- B8 Ba4 Ca4 Cs4 F4 O20 -","4","0.5","","Chen, Fuqiang; Wu, Hongping; Hu, Zhanggui; Wang, Jiyang; Wu, Yicheng; Yu, Hongwei","Rational design of a series of non-centrosymmetric antiperovskite and double antiperovskite borate fluorides.","Chemical science","2025","16","4","2015","2023","10.1039/d4sc05747c","","","0.71073","MoKα","","0.0504","0.0455","","","0.1382","0.1491","","","","","","1.085","","","","has coordinates","298112","2025-03-04","19:09:56",""
"1573548","8.7713","0.0003","8.7713","0.0003","4.3173","0.0003","90","","90","","90","","332.15","0.03","304","2","304","2","","","","","","","","6","P -4 21 m","P -4 2ab","113","","","","- B2 Ba Ca F O5 Rb -","- B2 Ba Ca F O5 Rb -","- B4 Ba2 Ca2 F2 O10 Rb2 -","2","0.25","","Chen, Fuqiang; Wu, Hongping; Hu, Zhanggui; Wang, Jiyang; Wu, Yicheng; Yu, Hongwei","Rational design of a series of non-centrosymmetric antiperovskite and double antiperovskite borate fluorides.","Chemical science","2025","16","4","2015","2023","10.1039/d4sc05747c","","","0.71073","MoKα","","0.0434","0.0375","","","0.1016","0.1082","","","","","","1.088","","","","has coordinates","298112","2025-03-04","19:09:57",""
"1573549","8.7276","0.0011","8.7276","0.0011","4.284","0.001","90","","90","","90","","326.32","0.1","304","2","304","2","","","","","","","","6","P -4 21 m","P -4 2ab","113","","","","- B2 Ba Ca F K O5 -","- B2 Ba Ca F K O5 -","- B4 Ba2 Ca2 F2 K2 O10 -","2","0.25","","Chen, Fuqiang; Wu, Hongping; Hu, Zhanggui; Wang, Jiyang; Wu, Yicheng; Yu, Hongwei","Rational design of a series of non-centrosymmetric antiperovskite and double antiperovskite borate fluorides.","Chemical science","2025","16","4","2015","2023","10.1039/d4sc05747c","","","0.71073","MoKα","","0.0924","0.0661","","","0.1723","0.1952","","","","","","1.144","","","","has coordinates","298112","2025-03-04","19:09:57",""
"1573550","7.2089","0.0007","9.3281","0.0009","11.0857","0.0013","97.148","0.009","92.22","0.009","96.254","0.008","734.23","0.13","150","","150.15","","","","","","","","","4","P -1","-P 1","2","","","","- C38 H32 N4 O2 -","- C38 H32 N4 O2 -","- C38 H32 N4 O2 -","1","0.5","","Mandal, Debasish; Sarkar, Abani; Behera, Kanhu Charan; Ravikanth, Mangalampalli","pH-responsive supramolecular switch of a rationally designed dipyrroethene-based chromophore.","Chemical science","2025","16","4","1772","1782","10.1039/d4sc07016j","","","0.71073","MoKα","","0.1033","0.0874","","","0.2197","0.2307","","","","","","1.071","","","","has coordinates","298110","2025-03-04","19:09:27",""
"1573551","13.3398","0.0008","12.3038","0.0007","25.4069","0.0013","90","","97.608","0.005","90","","4133.3","0.4","150","0.1","150.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H34 F6 N4 O6 -","- C42 H34 F6 N4 O6 -","- C168 H136 F24 N16 O24 -","4","0.5","","Mandal, Debasish; Sarkar, Abani; Behera, Kanhu Charan; Ravikanth, Mangalampalli","pH-responsive supramolecular switch of a rationally designed dipyrroethene-based chromophore.","Chemical science","2025","16","4","1772","1782","10.1039/d4sc07016j","","","0.71073","MoKα","","0.1174","0.074","","","0.1819","0.2075","","","","","","1.059","","","","has coordinates","298110","2025-03-04","19:09:27",""
"1573552","9.295","0.002","9.499","0.002","10.348","0.002","79.673","0.01","65.183","0.008","63.713","0.009","743.5","0.3","105","","105","","","","","","","","","3","P -1","-P 1","2","","","","- C19 H17 N3 -","- C19 H17 N3 -","- C38 H34 N6 -","2","1","","Mandal, Debasish; Sarkar, Abani; Behera, Kanhu Charan; Ravikanth, Mangalampalli","pH-responsive supramolecular switch of a rationally designed dipyrroethene-based chromophore.","Chemical science","2025","16","4","1772","1782","10.1039/d4sc07016j","","","0.71073","MoKα","","0.1127","0.0586","","","0.1376","0.1736","","","","","","1.0988","","","","has coordinates","298110","2025-03-04","19:09:27",""
"1573553","30.8903","0.00015","10.27991","0.00006","18.11204","0.00009","90","","90","","90","","5751.47","0.05","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C64 H92 N4 Tb2 -","- C64 H92 N4 Tb2 -","- C256 H368 N16 Tb8 -","4","1","","Jin, Peng-Bo; Luo, Qian-Cheng; Gransbury, Gemma K.; Winpenny, Richard E. P.; Mills, David P.; Zheng, Yan-Zhen","Rare earth benzene tetraanion-bridged amidinate complexes.","Chemical science","2025","16","4","1907","1924","10.1039/d4sc05982d","","","1.54184","CuKα","","0.0346","0.0328","","","0.0893","0.0901","","","","","","1.055","","","","has coordinates","298113","2025-03-04","19:10:33",""
"1573554","23.9612","0.0013","10.5893","0.0004","22.5423","0.0013","90","","112.235","0.006","90","","5294.4","0.5","100.01","0.1","100.01","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10.09 H14.96 Cl0.17 Dy0.17 N0.7 -","- C10.087 H14.9565 Cl0.173913 Dy0.173913 N0.695652 -","- C232 H344 Cl4 Dy4 N16 -","23","2.875","","Jin, Peng-Bo; Luo, Qian-Cheng; Gransbury, Gemma K.; Winpenny, Richard E. P.; Mills, David P.; Zheng, Yan-Zhen","Rare earth benzene tetraanion-bridged amidinate complexes.","Chemical science","2025","16","4","1907","1924","10.1039/d4sc05982d","","x-ray","0.71073","MoKα","","0.0604","0.0498","","","0.1084","0.1165","","","","","","1.015","","","","has coordinates","298113","2025-03-04","19:10:34",""
"1573555","25.2282","0.0011","10.9625","0.0003","23.8393","0.0009","90","","116.041","0.005","90","","5923.8","0.5","100","0.1","100","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C65 H94 I N4 Y -","- C65 H94 I N4 Y -","- C260 H376 I4 N16 Y4 -","4","0.5","","Jin, Peng-Bo; Luo, Qian-Cheng; Gransbury, Gemma K.; Winpenny, Richard E. P.; Mills, David P.; Zheng, Yan-Zhen","Rare earth benzene tetraanion-bridged amidinate complexes.","Chemical science","2025","16","4","1907","1924","10.1039/d4sc05982d","","x-ray","0.71073","MoKα","","0.0477","0.0343","","","0.0772","0.0852","","","","","","0.923","","","","has coordinates,has disorder","298113","2025-03-04","19:10:34",""
"1573556","23.9599","0.0008","10.5837","0.0002","22.4979","0.0008","90","","112.183","0.004","90","","5282.8","0.3","100","2","100.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C58 H86 Cl N4 Tb -","- C58 H86 Cl N4 Tb -","- C232 H344 Cl4 N16 Tb4 -","4","0.5","","Jin, Peng-Bo; Luo, Qian-Cheng; Gransbury, Gemma K.; Winpenny, Richard E. P.; Mills, David P.; Zheng, Yan-Zhen","Rare earth benzene tetraanion-bridged amidinate complexes.","Chemical science","2025","16","4","1907","1924","10.1039/d4sc05982d","","","0.71073","MoKα","","0.048","0.04","","","0.0735","0.0788","","","","","","1.045","","","","has coordinates","298113","2025-03-04","19:10:34",""
"1573557","10.8382","0.0001","38.9439","0.0005","15.0078","0.0003","90","","105.063","0.002","90","","6116.87","0.17","100","0.7","100","0.7","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C67 H99 Dy2 N4 -","- C67 H99 Dy2 N4 -","- C268 H396 Dy8 N16 -","4","1","","Jin, Peng-Bo; Luo, Qian-Cheng; Gransbury, Gemma K.; Winpenny, Richard E. P.; Mills, David P.; Zheng, Yan-Zhen","Rare earth benzene tetraanion-bridged amidinate complexes.","Chemical science","2025","16","4","1907","1924","10.1039/d4sc05982d","","x-ray","1.54184","CuKα","","0.0855","0.0822","","","0.2224","0.2241","","","","","","1.134","","","","has coordinates","298113","2025-03-04","19:10:34",""
"1573558","10.8398","0.0001","38.9679","0.0002","15.0051","0.0001","90","","105.029","0.001","90","","6121.42","0.08","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C67 H99 N4 Y2 -","- C67 H99 N4 Y2 -","- C268 H396 N16 Y8 -","4","1","","Jin, Peng-Bo; Luo, Qian-Cheng; Gransbury, Gemma K.; Winpenny, Richard E. P.; Mills, David P.; Zheng, Yan-Zhen","Rare earth benzene tetraanion-bridged amidinate complexes.","Chemical science","2025","16","4","1907","1924","10.1039/d4sc05982d","","","1.54184","CuKα","","0.0417","0.0392","","","0.1019","0.1052","","","","","","1.05","","","","has coordinates","298113","2025-03-04","19:10:34",""
"1573559","14.4004","0.0003","15.4059","0.0003","18.05","0.0004","97.598","0.002","103.094","0.002","112.008","0.002","3510.01","0.15","104","6","104","6","","","","","","","","4","P -1","-P 1","2","","","","- C75 H120 N4 Tb2 -","- C75 H120 N4 Tb2 -","- C150 H240 N8 Tb4 -","2","1","","Jin, Peng-Bo; Luo, Qian-Cheng; Gransbury, Gemma K.; Winpenny, Richard E. P.; Mills, David P.; Zheng, Yan-Zhen","Rare earth benzene tetraanion-bridged amidinate complexes.","Chemical science","2025","16","4","1907","1924","10.1039/d4sc05982d","","x-ray","1.54184","CuKα","","0.0436","0.0408","","","0.1051","0.107","","","","","","1.033","","","","has coordinates,has disorder","298113","2025-03-04","19:10:34",""
"1573560","26.171","0.002","11.0443","0.001","23.94","0.003","90","","119.762","0.003","90","","6006.9","1.1","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C65 H94 Gd I N4 -","- C65 H94 Gd I N4 -","- C260 H376 Gd4 I4 N16 -","4","0.5","","Jin, Peng-Bo; Luo, Qian-Cheng; Gransbury, Gemma K.; Winpenny, Richard E. P.; Mills, David P.; Zheng, Yan-Zhen","Rare earth benzene tetraanion-bridged amidinate complexes.","Chemical science","2025","16","4","1907","1924","10.1039/d4sc05982d","","","0.71073","MoKα","","0.0288","0.0254","","","0.0584","0.0607","","","","","","1.038","","","","has coordinates,has disorder","298113","2025-03-04","19:10:34",""
"1573561","18.1193","0.0011","35.666","0.002","36.498","0.003","90","","90","","90","","23587","3","150","","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C64 H92 Gd2 N4 -","- C64 H92 Gd2 N4 -","- C1024 H1472 Gd32 N64 -","16","2","","Jin, Peng-Bo; Luo, Qian-Cheng; Gransbury, Gemma K.; Winpenny, Richard E. P.; Mills, David P.; Zheng, Yan-Zhen","Rare earth benzene tetraanion-bridged amidinate complexes.","Chemical science","2025","16","4","1907","1924","10.1039/d4sc05982d","","","0.71073","MoKα","","0.0361","0.0261","","","0.0554","0.0604","","","","","","1.039","","","","has coordinates","298113","2025-03-04","19:10:34",""
"1573562","12.67284","0.00007","9.17962","0.00005","22.43254","0.00013","90","","96.7556","0.0005","90","","2591.5","0.03","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H36 B N3 O -","- C27 H36 B N3 O -","- C108 H144 B4 N12 O4 -","4","1","","Tang, Jianqin; Hu, Chenyang; Crumpton, Agamemnon E.; Griffin, Liam P.; Goicoechea, Jose M.; Aldridge, Simon","Metathesis chemistry of inorganic cumulenes driven by B-O bond formation.","Chemical science","2025","16","5","2231","2237","10.1039/d4sc07487d","","x-ray","1.54184","CuKα","","0.0417","0.0399","","","0.1008","0.1021","","","","","","1.026","","","","has coordinates","298171","2025-03-04","19:37:35",""
"1573563","12.8968","0.0001","19.8442","0.0002","40.8371","0.0005","90","","96.999","0.001","90","","10373.4","0.18","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C53 H74 B N5 P2 -","- C53 H74 B N5 P2 -","- C424 H592 B8 N40 P16 -","8","2","","Tang, Jianqin; Hu, Chenyang; Crumpton, Agamemnon E.; Griffin, Liam P.; Goicoechea, Jose M.; Aldridge, Simon","Metathesis chemistry of inorganic cumulenes driven by B-O bond formation.","Chemical science","2025","16","5","2231","2237","10.1039/d4sc07487d","","x-ray","1.54184","CuKα","","0.0767","0.0581","","","0.1446","0.1516","","","","","","1.084","","","","has coordinates,has disorder","298171","2025-03-04","19:37:36",""
"1573564","22.7178","0.0007","22.7178","0.0007","15.9414","0.0008","90","","90","","90","","8227.3","0.5","100","0.1","100","0.1","","","","","","","","6","I -4","I -4","82","","","","- C45 H52.4 B2 K N3 O2 -","- C33 H40.4 B2 K N3 O2 -","- C264 H323.2 B16 K8 N24 O16 -","8","1","","Tang, Jianqin; Hu, Chenyang; Crumpton, Agamemnon E.; Griffin, Liam P.; Goicoechea, Jose M.; Aldridge, Simon","Metathesis chemistry of inorganic cumulenes driven by B-O bond formation.","Chemical science","2025","16","5","2231","2237","10.1039/d4sc07487d","","x-ray","1.54184","CuKα","","0.0595","0.0551","","","0.1556","0.16","","","","","","1.016","","","","has coordinates,has disorder","298171","2025-03-04","19:37:36",""
"1573565","9.7098","0.0001","16.9985","0.0002","17.7195","0.0002","90","","93.843","0.001","90","","2918.06","0.06","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H42 B N3 -","- C33 H42 B N3 -","- C132 H168 B4 N12 -","4","1","","Tang, Jianqin; Hu, Chenyang; Crumpton, Agamemnon E.; Griffin, Liam P.; Goicoechea, Jose M.; Aldridge, Simon","Metathesis chemistry of inorganic cumulenes driven by B-O bond formation.","Chemical science","2025","16","5","2231","2237","10.1039/d4sc07487d","","x-ray","1.54184","CuKα","","0.0541","0.0501","","","0.1745","0.1774","","","","","","1.055","","","","has coordinates","298171","2025-03-04","19:37:36",""
"1573566","22.2498","0.0001","13.5031","0.0001","37.4373","0.0002","90","","99.081","0.001","90","","11106.7","0.12","100","0.1","100","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C60 H81 B3 N6 O -","- C60 H81 B3 N6 O -","- C480 H648 B24 N48 O8 -","8","1","","Tang, Jianqin; Hu, Chenyang; Crumpton, Agamemnon E.; Griffin, Liam P.; Goicoechea, Jose M.; Aldridge, Simon","Metathesis chemistry of inorganic cumulenes driven by B-O bond formation.","Chemical science","2025","16","5","2231","2237","10.1039/d4sc07487d","","x-ray","1.54184","CuKα","","0.046","0.0406","","","0.1037","0.1074","","","","","","1.029","","","","has coordinates,has disorder","298171","2025-03-04","19:37:36",""
"1573567","16.90996","0.00006","9.55705","0.00003","33.35081","0.0001","90","","94.9584","0.0003","90","","5369.63","0.03","100","0.1","100","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C27 H36 B N3 S -","- C27 H36 B N3 S -","- C216 H288 B8 N24 S8 -","8","1","","Tang, Jianqin; Hu, Chenyang; Crumpton, Agamemnon E.; Griffin, Liam P.; Goicoechea, Jose M.; Aldridge, Simon","Metathesis chemistry of inorganic cumulenes driven by B-O bond formation.","Chemical science","2025","16","5","2231","2237","10.1039/d4sc07487d","","x-ray","1.54184","CuKα","","0.0359","0.0353","","","0.0895","0.09","","","","","","1.027","","","","has coordinates,has disorder","298171","2025-03-04","19:37:36",""
"1573570","9.6234","0.0001","10.4927","0.0001","14.0802","0.0002","99.31","0.001","98.054","0.001","100.619","0.001","1357.67","0.03","293","2","293","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H29 F2 O4 P -","- C31 H29 F2 O4 P -","- C62 H58 F4 O8 P2 -","2","1","","Huang, Mao-Gui; Fu, Yue-Liu-Ting; Li, Jia-Wei; Liu, Yue-Jin","Ruthenium-catalyzed three-component tandem remote C-H functionalization of naphthalenes: modular and concise synthesis of multifunctional naphthalenes.","Chemical science","2025","16","4","1957","1965","10.1039/d4sc06846g","","x-ray","1.54184","CuKα","","0.0413","0.0366","","","0.0989","0.105","","","","","","1.117","","","","has coordinates","298111","2025-03-04","19:09:43",""
"1573571","14.4927","0.0008","9.522","0.0002","24.7089","0.0014","90","","137.895","0.011","90","","2286.3","0.5","123.01","0.1","123.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H40 Br4 N12 Ni2 O6 -","- C42 H40 Br4 N12 Ni2 O6 -","- C84 H80 Br8 N24 Ni4 O12 -","2","0.5","","Rodriguez-Lugo, Rafael E; Sander, Joan; Dietzmann, Simon; Rittner, Thomas; Rückel, Jannes; Landaeta, Vanessa R.; Park, Jiyong; Nuernberger, Patrick; Baik, Mu-Hyun; Wolf, Robert","Mechanistic insights into the visible-light-driven <i>O</i>-arylation of carboxylic acids catalyzed by xanthine-based nickel complexes.","Chemical science","2025","16","6","2751","2762","10.1039/d4sc04257c","","","1.54184","CuKα","","0.0383","0.0356","","","0.099","0.101","","","","","","1.048","","","","has coordinates","298132","2025-03-04","19:22:20",""
"1573572","13.4368","0.0003","9.1144","0.0002","20.483","0.0004","90","","108.664","0.002","90","","2376.6","0.09","123","0.1","123.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H38 Br4 Cl4 N12 Ni2 O4 -","- C40 H38 Br4 Cl4 N10 Ni2 O6 -","- C80 H76 Br8 Cl8 N20 Ni4 O12 -","2","0.5","","Rodriguez-Lugo, Rafael E; Sander, Joan; Dietzmann, Simon; Rittner, Thomas; Rückel, Jannes; Landaeta, Vanessa R.; Park, Jiyong; Nuernberger, Patrick; Baik, Mu-Hyun; Wolf, Robert","Mechanistic insights into the visible-light-driven <i>O</i>-arylation of carboxylic acids catalyzed by xanthine-based nickel complexes.","Chemical science","2025","16","6","2751","2762","10.1039/d4sc04257c","","","1.54184","CuKα","","0.0378","0.0331","","","0.0922","0.0948","","","","","","0.999","","","","has coordinates","298132","2025-03-04","19:22:21",""
"1573573","13.0278","0.0002","14.7154","0.0002","34.4476","0.0005","90","","99.152","0.001","90","","6519.86","0.16","123","0.1","123","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C20.57 H18.49 N6.86 O2.39 -","- C20.5714 H18.4949 N6.85714 O2.39029 -","- C288 H258.928 N96 O33.464 -","14","1.75","","Rodriguez-Lugo, Rafael E; Sander, Joan; Dietzmann, Simon; Rittner, Thomas; Rückel, Jannes; Landaeta, Vanessa R.; Park, Jiyong; Nuernberger, Patrick; Baik, Mu-Hyun; Wolf, Robert","Mechanistic insights into the visible-light-driven <i>O</i>-arylation of carboxylic acids catalyzed by xanthine-based nickel complexes.","Chemical science","2025","16","6","2751","2762","10.1039/d4sc04257c","","x-ray","1.54184","CuKα","","0.038","0.0361","","","0.0901","0.0913","","","","","","1.081","","","","has coordinates,has disorder","298132","2025-03-04","19:22:21",""
"1573574","17.1742","0.0001","13.6415","0.0001","17.8507","0.0001","90","","103.715","0.001","90","","4062.85","0.05","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13.82 H12.36 Br0.73 N5.09 Ni0.36 O1.45 -","- C13.8182 H12.3636 Br0.727273 N5.09091 Ni0.363636 O1.45455 -","- C152 H136 Br8 N56 Ni4 O16 -","11","2.75","","Rodriguez-Lugo, Rafael E; Sander, Joan; Dietzmann, Simon; Rittner, Thomas; Rückel, Jannes; Landaeta, Vanessa R.; Park, Jiyong; Nuernberger, Patrick; Baik, Mu-Hyun; Wolf, Robert","Mechanistic insights into the visible-light-driven <i>O</i>-arylation of carboxylic acids catalyzed by xanthine-based nickel complexes.","Chemical science","2025","16","6","2751","2762","10.1039/d4sc04257c","","x-ray","1.54184","CuKα","","0.0426","0.039","","","0.1112","0.1133","","","","","","1.104","","","","has coordinates","298132","2025-03-04","19:22:21",""
"1573575","6.6161","0.0004","11.0537","0.0006","11.1219","0.0006","84.188","0.004","74.575","0.005","88.159","0.004","780.03","0.08","123.01","0.1","123.15","","","","","","","","","4","P -1","-P 1","2","","","","- C17 H14 N6 O2 -","- C17 H14 N6 O2 -","- C34 H28 N12 O4 -","2","1","","Rodriguez-Lugo, Rafael E; Sander, Joan; Dietzmann, Simon; Rittner, Thomas; Rückel, Jannes; Landaeta, Vanessa R.; Park, Jiyong; Nuernberger, Patrick; Baik, Mu-Hyun; Wolf, Robert","Mechanistic insights into the visible-light-driven <i>O</i>-arylation of carboxylic acids catalyzed by xanthine-based nickel complexes.","Chemical science","2025","16","6","2751","2762","10.1039/d4sc04257c","","","1.54184","CuKα","","0.0776","0.0704","","","0.1998","0.2104","","","","","","1.08","","","","has coordinates","298132","2025-03-04","19:22:21",""
"1573576","9.8012","0.0002","8.1826","0.0002","27.1202","0.0006","90","","94.448","0.002","90","","2168.47","0.08","123.01","0.1","123.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11.5 H12.5 N2.5 O2 -","- C11.5 H12.5 N2.5 O2 -","- C92 H100 N20 O16 -","8","2","","Rodriguez-Lugo, Rafael E; Sander, Joan; Dietzmann, Simon; Rittner, Thomas; Rückel, Jannes; Landaeta, Vanessa R.; Park, Jiyong; Nuernberger, Patrick; Baik, Mu-Hyun; Wolf, Robert","Mechanistic insights into the visible-light-driven <i>O</i>-arylation of carboxylic acids catalyzed by xanthine-based nickel complexes.","Chemical science","2025","16","6","2751","2762","10.1039/d4sc04257c","","","1.54184","CuKα","","0.0584","0.054","","","0.1476","0.1545","","","","","","1.032","","","","has coordinates","298132","2025-03-04","19:22:21",""
"1573577","33.3183","0.0003","9.9346","0.0001","21.7721","0.0002","90","","91.007","0.001","90","","7205.54","0.12","100","0.1","100.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39 H52 N5 Ni O4.5 -","- C39 H52 N5 Ni O4.5 -","- C312 H416 N40 Ni8 O36 -","8","1","","Rodriguez-Lugo, Rafael E; Sander, Joan; Dietzmann, Simon; Rittner, Thomas; Rückel, Jannes; Landaeta, Vanessa R.; Park, Jiyong; Nuernberger, Patrick; Baik, Mu-Hyun; Wolf, Robert","Mechanistic insights into the visible-light-driven <i>O</i>-arylation of carboxylic acids catalyzed by xanthine-based nickel complexes.","Chemical science","2025","16","6","2751","2762","10.1039/d4sc04257c","","","1.54184","CuKα","","0.069","0.0652","","","0.1635","0.1653","","","","","","1.262","","","","has coordinates,has disorder","298132","2025-03-04","19:22:21",""
"1573578","19.3695","0.0002","17.6564","0.0002","19.5992","0.0003","90","","93.297","0.001","90","","6691.75","0.15","123.01","0.1","123.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C37 H32 Br N5 Ni O3 P -","- C37 H32 Br N5 Ni O3 P -","- C296 H256 Br8 N40 Ni8 O24 P8 -","8","2","","Rodriguez-Lugo, Rafael E; Sander, Joan; Dietzmann, Simon; Rittner, Thomas; Rückel, Jannes; Landaeta, Vanessa R.; Park, Jiyong; Nuernberger, Patrick; Baik, Mu-Hyun; Wolf, Robert","Mechanistic insights into the visible-light-driven <i>O</i>-arylation of carboxylic acids catalyzed by xanthine-based nickel complexes.","Chemical science","2025","16","6","2751","2762","10.1039/d4sc04257c","","","1.54184","CuKα","","0.0668","0.045","","","0.118","0.1276","","","","","","1.051","","","","has coordinates","298132","2025-03-04","19:22:21",""
"1573584","25.415","0.0009","25.415","0.0009","25.415","0.0009","90","","90","","90","","16416.1","1","100","2","100","2","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- C24 O13 Zn4 -","- C24 O13 Zn4 -","- C192 O104 Zn32 -","8","0.0416667","","Kim, Hyunyong; Cohen, Seth M.","Metal-organic frameworks generated from oligomeric ligands with functionalized tethers.","Chemical science","2025","16","5","2344","2350","10.1039/d4sc06666a","","","0.71073","MoKα","","0.1213","0.0913","","","0.2925","0.317","","","","","","1.142","","","","has coordinates","298089","2025-03-04","18:57:14",""
"1573585","12.8235","0.0012","12.8235","0.0012","12.8235","0.0012","90","","90","","90","","2108.7","0.3","100","2","100","2","","","","","","","","3","P m -3 m","-P 4 2 3","221","","","","- C24 O13 Zn4 -","- C24 O13 Zn4.0008 -","- C24 O13 Zn4.0008 -","1","0.0208333","","Kim, Hyunyong; Cohen, Seth M.","Metal-organic frameworks generated from oligomeric ligands with functionalized tethers.","Chemical science","2025","16","5","2344","2350","10.1039/d4sc06666a","","","0.71073","MoKα","","0.1106","0.0707","","","0.2126","0.2534","","","","","","1.082","","","","has coordinates","298089","2025-03-04","18:57:15",""
"1573586","25.6171","0.0009","25.6171","0.0009","25.6171","0.0009","90","","90","","90","","16810.9","1","100","2","100","2","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- C96 O64 Zn16 -","- C96 O64 Zn16 -","- C192 O128 Zn32 -","2","0.0104167","","Kim, Hyunyong; Cohen, Seth M.","Metal-organic frameworks generated from oligomeric ligands with functionalized tethers.","Chemical science","2025","16","5","2344","2350","10.1039/d4sc06666a","","","0.71073","MoKα","","0.0835","0.0589","","","0.1925","0.2234","","","","","","1.125","","","","has coordinates","298089","2025-03-04","18:57:15",""
"1573587","25.6455","0.0007","25.6455","0.0007","25.6455","0.0007","90","","90","","90","","16866.8","0.8","100","2","100","2","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- C96 O64 Zn16 -","- C96 O64 Zn16 -","- C192 O128 Zn32 -","2","0.0104167","","Kim, Hyunyong; Cohen, Seth M.","Metal-organic frameworks generated from oligomeric ligands with functionalized tethers.","Chemical science","2025","16","5","2344","2350","10.1039/d4sc06666a","","","0.71073","MoKα","","0.0735","0.0559","","","0.1774","0.2042","","","","","","1.161","","","","has coordinates","298089","2025-03-04","18:57:15",""
"1573588","25.6396","0.0007","25.6396","0.0007","25.6396","0.0007","90","","90","","90","","16855.2","0.8","100","2","100","2","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- C96 O64 Zn16 -","- C96 O64 Zn16 -","- C192 O128 Zn32 -","2","0.0104167","","Kim, Hyunyong; Cohen, Seth M.","Metal-organic frameworks generated from oligomeric ligands with functionalized tethers.","Chemical science","2025","16","5","2344","2350","10.1039/d4sc06666a","","","0.71073","MoKα","","0.1","0.0687","","","0.2118","0.2867","","","","","","1.237","","","","has coordinates","298089","2025-03-04","18:57:15",""
"1573589","25.6309","0.0009","25.6309","0.0009","25.6309","0.0009","90","","90","","90","","16838","1","100","2","100","2","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- C96 O64 Zn16 -","- C96 O64 Zn16 -","- C192 O128 Zn32 -","2","0.0104167","","Kim, Hyunyong; Cohen, Seth M.","Metal-organic frameworks generated from oligomeric ligands with functionalized tethers.","Chemical science","2025","16","5","2344","2350","10.1039/d4sc06666a","","","0.71073","MoKα","","0.0858","0.0519","","","0.1701","0.2188","","","","","","1.224","","","","has coordinates","298089","2025-03-04","18:57:15",""
"1573590","13.6279","0.0013","16.9199","0.0017","19.7799","0.0019","90","","91.635","0.003","90","","4559","0.8","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 N O5 Zn -","- C14 N O5 Zn -","- C112 N8 O40 Zn8 -","8","1","","Kim, Hyunyong; Cohen, Seth M.","Metal-organic frameworks generated from oligomeric ligands with functionalized tethers.","Chemical science","2025","16","5","2344","2350","10.1039/d4sc06666a","","","0.71073","MoKα","","0.0838","0.068","","","0.1837","0.1907","","","","","","1.087","","","","has coordinates","298089","2025-03-04","18:57:15",""
"1573591","25.6731","0.0008","25.6731","0.0008","25.6731","0.0008","90","","90","","90","","16921.3","0.9","100","2","100","2","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- C96 O64 Zn16 -","- C96 O64 Zn16 -","- C192 O128 Zn32 -","2","0.0104167","","Kim, Hyunyong; Cohen, Seth M.","Metal-organic frameworks generated from oligomeric ligands with functionalized tethers.","Chemical science","2025","16","5","2344","2350","10.1039/d4sc06666a","","","0.71073","MoKα","","0.0903","0.055","","","0.1717","0.2272","","","","","","1.226","","","","has coordinates","298089","2025-03-04","18:57:15",""
"1573592","25.6846","0.0008","25.6846","0.0008","25.6846","0.0008","90","","90","","90","","16944.1","0.9","100","2","100","2","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- C96 O64 Zn16 -","- C96 O64 Zn16 -","- C192 O128 Zn32 -","2","0.0104167","","Kim, Hyunyong; Cohen, Seth M.","Metal-organic frameworks generated from oligomeric ligands with functionalized tethers.","Chemical science","2025","16","5","2344","2350","10.1039/d4sc06666a","","","0.71073","MoKα","","0.097","0.0663","","","0.2059","0.2786","","","","","","1.249","","","","has coordinates","298089","2025-03-04","18:57:15",""
"1573593","25.6483","0.0006","25.6483","0.0006","25.6483","0.0006","90","","90","","90","","16872.4","0.7","100","2","100","2","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- C96 O64 Zn16 -","- C96 O64 Zn16 -","- C192 O128 Zn32 -","2","0.0104167","","Kim, Hyunyong; Cohen, Seth M.","Metal-organic frameworks generated from oligomeric ligands with functionalized tethers.","Chemical science","2025","16","5","2344","2350","10.1039/d4sc06666a","","","0.71073","MoKα","","0.0897","0.0649","","","0.208","0.2512","","","","","","1.171","","","","has coordinates","298089","2025-03-04","18:57:15",""
"1573594","7.2038","0.0005","11.3027","0.0007","26.8583","0.0017","90","","92.223","0.002","90","","2185.2","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","'1-benzyl-4-phenyl-5-(phenylethynyl)-1H-isobenzofuro[4,5-d][1,2,3]triazole-6,8-dione'","","- C29 H17 N3 O3 -","- C29 H17 N3 O3 -","- C116 H68 N12 O12 -","4","1","","Sneddon, Dorian S.; Kevorkian, Paul V.; Hoye, Thomas R.","Rapid (≤25 °C) cycloisomerization of anhydride-tethered triynes to benzynes - origin of a remarkable anhydride linker-induced rate enhancement.","Chemical science","2025","16","6","2898","2906","10.1039/d4sc07232d","","","0.71073","MoKα","","0.0586","0.0397","","","0.0944","0.1032","","","","","","1.026","","","","has coordinates","298131","2025-03-04","19:21:56",""
"1573595","13.0754","0.0015","19.067","0.002","15.68","0.002","90","","104.258","0.004","90","","3788.7","0.8","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C47 H41 N5 O5 -","- C40 H33 N5 O5 -","- C160 H132 N20 O20 -","4","1","","Bae, Sungryul; Jeong, Younjae; Lee, Dongwhan","Mutually antagonistic molecular clips: symmetry-breaking non-covalent bonds at the chiral-nonchiral interface.","Chemical science","2025","16","8","3459","3469","10.1039/d4sc07655a","","","0.71073","MoKα","","0.1369","0.0787","","","0.2005","0.2743","","","","","","1.084","","","","has coordinates","298104","2025-03-04","19:06:28",""
"1573596","8.418","0.0017","12.809","0.003","40.083","0.008","91.42","0.03","92.29","0.03","106.79","0.03","4131.5","1.7","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C56 H42 N6 O5 -","- C56 H42 N6 O5 -","- C224 H168 N24 O20 -","4","2","","Bae, Sungryul; Jeong, Younjae; Lee, Dongwhan","Mutually antagonistic molecular clips: symmetry-breaking non-covalent bonds at the chiral-nonchiral interface.","Chemical science","2025","16","8","3459","3469","10.1039/d4sc07655a","","","0.7","synchrotron","","0.1474","0.1025","","","0.2804","0.3123","","","","","","1.046","","","","has coordinates","298104","2025-03-04","19:06:29",""
"1573597","15.283","0.003","14.723","0.003","30.471","0.006","90","","90","","90","","6856","2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C44 H36 N4 O3 -","- C44 H36 N4 O3 -","- C352 H288 N32 O24 -","8","1","","Bae, Sungryul; Jeong, Younjae; Lee, Dongwhan","Mutually antagonistic molecular clips: symmetry-breaking non-covalent bonds at the chiral-nonchiral interface.","Chemical science","2025","16","8","3459","3469","10.1039/d4sc07655a","","","0.7","synchrotron","","0.0922","0.0564","","","0.1427","0.1562","","","","","","1.02","","","","has coordinates","298104","2025-03-04","19:06:29",""
"1573598","14.434","0.003","15.041","0.003","30.493","0.006","90","","90","","90","","6620","2","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C84 H69 N9 O8 -","- C84 H69 N9 O8 -","- C336 H276 N36 O32 -","4","1","","Bae, Sungryul; Jeong, Younjae; Lee, Dongwhan","Mutually antagonistic molecular clips: symmetry-breaking non-covalent bonds at the chiral-nonchiral interface.","Chemical science","2025","16","8","3459","3469","10.1039/d4sc07655a","","","0.7","synchrotron","","0.104","0.0682","","","0.1569","0.1789","","","","","","1.036","","","","has coordinates,has disorder","298104","2025-03-04","19:06:29",""
"1573599","5.4287","0.0007","8.9764","0.0012","13.4695","0.0016","96.706","0.011","95.087","0.01","90.122","0.011","649.26","0.14","190","2","190","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C13 H16 I N O2 -","- C13 H16 I N O2 -","- C26 H32 I2 N2 O4 -","2","1","","Shiels, Oisin J.; Brydon, Samuel C.; Poad, Berwyck L. J.; Marshall, David L.; Houston, Sevan D.; Xing, Hui; Bernhardt, Paul V.; Savage, G. Paul; Williams, Craig M.; Harman, David G.; Kirk, Benjamin B.; da Silva, Gabriel; Blanksby, Stephen J.; Trevitt, Adam J.","Electrostatically tuning radical addition and atom abstraction reactions with distonic radical ions.","Chemical science","2025","16","6","2861","2878","10.1039/d4sc06333c","","x-ray","0.71073","MoKα","","0.0775","0.0646","","","0.1372","0.1444","","","","","","1.173","","","","has coordinates","298134","2025-03-04","19:22:40",""
"1573617","26.9512","0.001","9.4305","0.0003","17.329","0.0006","90","","111.921","0.001","90","","4086","0.2","273.15","","273.15","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","2-(anthracen-9-yl)-9,9-dimethyl-9H-xanthene","","- C29 H22 O -","- C29 H22 O -","- C232 H176 O8 -","8","1","","Wang, Shiyin; Liu, Haichao; Zhao, Shuaiqiang; Wu, Qiaolin; Yang, Zhiqiang; Yang, Daojie; Lv, Yingbo; Su, Qing; Zhang, Shi-Tong; Yang, Bing","A comparative investigation on excimer fluorescence toward its bright future.","Chemical science","2025","16","7","3275","3284","10.1039/d4sc08001g","","","0.71073","MoKα","","0.098","0.0573","","","0.152","0.2013","","","","","","1.2878","","","","has coordinates","298136","2025-03-04","19:23:19",""
"1573618","9.1255","0.0005","17.9972","0.0011","18.3091","0.0011","90.153","0.002","90.817","0.002","94.909","0.002","2995.6","0.3","302","","302","","","","","","","","","3","P -1","-P 1","2","","4,5-di(anthracen-9-yl)-9,9-dimethyl-9H-xanthene","","- C43 H30 O -","- C43 H30 O -","- C172 H120 O4 -","4","2","","Wang, Shiyin; Liu, Haichao; Zhao, Shuaiqiang; Wu, Qiaolin; Yang, Zhiqiang; Yang, Daojie; Lv, Yingbo; Su, Qing; Zhang, Shi-Tong; Yang, Bing","A comparative investigation on excimer fluorescence toward its bright future.","Chemical science","2025","16","7","3275","3284","10.1039/d4sc08001g","","","0.71073","MoKα","","0.0709","0.0517","","","0.1282","0.152","","","","","","1.056","","","","has coordinates","299663","2025-05-14","10:18:01",""
"1573620","9.0901","0.0002","13.3962","0.0002","22.3177","0.0003","77.196","0.001","86.431","0.001","82.887","0.001","2628.01","0.08","100","2","100.15","","","","","","","","","6","P -1","-P 1","2","","CuNDPA","","- C54 H67 Cu K N6 O9 -","- C54 H67 Cu K N6 O9 -","- C108 H134 Cu2 K2 N12 O18 -","2","1","","Das, Soumadip; Roy, Aritra; Chakrabarti, Navonil; Mukhopadhyay, Narottam; Sarkar, Aniruddha; Sen Gupta, Sayam","Self-sensitized Cu(ii)-complex catalyzed solar driven CO<sub>2</sub> reduction.","Chemical science","2025","16","7","3114","3123","10.1039/d4sc06354f","","","1.54184","CuKα","","0.0409","0.0373","","","0.101","0.1038","","","","","","1.073","","","","has coordinates","298140","2025-03-04","19:24:52",""
"1573621","9.6787","0.0003","10.7885","0.0004","20.4415","0.0008","96.743","0.003","90.805","0.003","99.865","0.003","2087.09","0.13","100","0.2","100.15","","","","","","","","","6","P -1","-P 1","2","","CuNDPA-Cl_N2O2","","- C44 H48 Cl Cu N7 O3 -","- C40 H42 Cl Cu N5 O3 -","- C80 H84 Cl2 Cu2 N10 O6 -","2","1","","Das, Soumadip; Roy, Aritra; Chakrabarti, Navonil; Mukhopadhyay, Narottam; Sarkar, Aniruddha; Sen Gupta, Sayam","Self-sensitized Cu(ii)-complex catalyzed solar driven CO<sub>2</sub> reduction.","Chemical science","2025","16","7","3114","3123","10.1039/d4sc06354f","","","1.54184","CuKα","","0.1406","0.1256","","","0.3404","0.3535","","","","","","1.4","","","","has coordinates,has disorder","298140","2025-03-04","19:24:53",""
"1573622","25.2111","0.0008","22.7564","0.0008","33.5239","0.0011","90","","108.292","0.0011","90","","18261.3","1.1","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C98 H118 F6 N6 O2 S4 -","- C98 H118 F6 N6 O2 S4 -","- C784 H944 F48 N48 O16 S32 -","8","1","","Wang, Yan-Bo; Tsai, Chia-Lin; Xue, Yung-Jing; Jiang, Bing-Huang; Lu, Han-Cheng; Hong, Jun-Cheng; Huang, Yu-Chi; Huang, Kuo-Hsiu; Chien, Su-Ying; Chen, Chih-Ping; Cheng, Yen-Ju","Fluorinated and methylated <i>ortho</i>-benzodipyrrole-based acceptors suppressing charge recombination and minimizing energy loss in organic photovoltaics.","Chemical science","2025","16","7","3259","3274","10.1039/d4sc07146h","","","0.71073","MoKα","","0.3081","0.1997","","","0.4729","0.5593","","","","","","1.141","","","","has coordinates,has disorder","298141","2025-03-04","19:25:28",""
"1573623","21.223","0.0004","21.3687","0.0005","32.1128","0.0006","91.951","0.001","91.3666","0.0008","103.586","0.001","14140.1","0.5","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","CMB","","- C100 H124 F4 N6 O2 S4 -","- C100 H124 F4 N6 O2 S4 -","- C600 H744 F24 N36 O12 S24 -","6","3","","Wang, Yan-Bo; Tsai, Chia-Lin; Xue, Yung-Jing; Jiang, Bing-Huang; Lu, Han-Cheng; Hong, Jun-Cheng; Huang, Yu-Chi; Huang, Kuo-Hsiu; Chien, Su-Ying; Chen, Chih-Ping; Cheng, Yen-Ju","Fluorinated and methylated <i>ortho</i>-benzodipyrrole-based acceptors suppressing charge recombination and minimizing energy loss in organic photovoltaics.","Chemical science","2025","16","7","3259","3274","10.1039/d4sc07146h","","","1.54178","CuKα","","0.2203","0.1717","","","0.4293","0.4806","","","","","","1.675","","","","has coordinates","298141","2025-03-04","19:25:29",""
"1573677","51.208","0.005","7.1184","0.0007","31.56","0.004","90","","126.597","0.007","90","","9236.1","1.9","170","","170","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C11 H15 B F2 I N O6 -","- C11 H15 B F2 I N O6 -","- C264 H360 B24 F48 I24 N24 O144 -","24","3","","Wu, Hengbo; Luo, Ruitong; Peng, Jingjing; Han, Zijian; Zhang, Renjie; Xu, Zhijian; Zhu, Weiliang; Liu, Hong; Li, Chunpu","B(MIDA)-directed site-selective intermolecular halofluoroalkylation of alkenes: synthesis of diversely functionalized building blocks.","Chemical science","2025","16","6","2710","2717","10.1039/d4sc07900k","","","0.71073","MoKα","","0.0662","0.0421","","","0.0845","0.0963","","","","","","1.025","","","","has coordinates","298130","2025-03-04","19:21:47",""
"1573678","10.2609","0.0001","10.2609","0.0001","10.2609","0.0001","90","","90","","90","","1080.33","0.018","293","2","293","2","","","","","","","","3","I -4 3 m","I -4 2 3","217","","","","- Cu10 S13 Te4 -","- Cu10.002 S13 Te4 -","- Cu20.004 S26 Te8 -","2","0.0416667","","Zhang, Bo; Zhou, Sheng-Hua; Li, Bing-Xuan; Wu, Xin-Tao; Lin, Hua; Zhu, Qi-Long","Exploring new horizons in mid-to-far infrared nonlinear optical crystals: the significant potential of trigonal pyramidal [TeS<sub>3</sub>]<sup>2-</sup> functional units.","Chemical science","2025","16","7","3218","3227","10.1039/d4sc07322c","","x-ray","0.71073","MoKα","","0.0141","0.0141","","","0.0306","0.0306","","","","","","1.229","","","","has coordinates","298135","2025-03-04","19:22:49",""
"1573686","26.623","0.002","12.2818","0.0009","36.081","0.003","90","","90","","90","","11797.7","1.6","100","2","100","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C126 H160 K O6 -","- C114 H132 K O6 -","- C456 H528 K4 O24 -","4","0.5","","Zhu, Yikun; Borstelmann, Jan; Neiss, Christian; Wei, Zheng; Görling, Andreas; Kivala, Milan; Petrukhina, Marina A.","Stepwise reduction of an asymmetric π-expanded pyracylene towards the crystalline radical trianion.","Chemical science","2025","16","7","3211","3217","10.1039/d4sc08255a","","x-ray","0.41328","Synchrotron","","0.0732","0.0663","","","0.1843","0.1943","","","","","","1.035","","","","has coordinates,has disorder","298143","2025-03-04","19:26:20",""
"1573687","14.192","0.002","23.883","0.004","28.136","0.005","88.137","0.002","80.21","0.003","77.124","0.002","9161","3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C186 H270 N6 O25.5 Rb3 -","- C156 H210 N6 O18 Rb3 -","- C312 H420 N12 O36 Rb6 -","2","1","","Zhu, Yikun; Borstelmann, Jan; Neiss, Christian; Wei, Zheng; Görling, Andreas; Kivala, Milan; Petrukhina, Marina A.","Stepwise reduction of an asymmetric π-expanded pyracylene towards the crystalline radical trianion.","Chemical science","2025","16","7","3211","3217","10.1039/d4sc08255a","","x-ray","0.41329","Synchrotron","","0.1852","0.0918","","","0.2525","0.3132","","","","","","1.004","","","","has coordinates,has disorder","298143","2025-03-04","19:26:21",""
"1573688","27.4995","0.0001","27.4995","0.0001","70.8136","0.0005","90","","90","","90","","53550.8","0.5","100","1","100","1","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C136 H170 O14.5 Rb2 -","- C126 H150 O12 Rb2 -","- C2016 H2400 O192 Rb32 -","16","1","","Zhu, Yikun; Borstelmann, Jan; Neiss, Christian; Wei, Zheng; Görling, Andreas; Kivala, Milan; Petrukhina, Marina A.","Stepwise reduction of an asymmetric π-expanded pyracylene towards the crystalline radical trianion.","Chemical science","2025","16","7","3211","3217","10.1039/d4sc08255a","","x-ray","1.54178","CuKα","","0.0623","0.0485","","","0.1325","0.1452","","","","","","1.031","","","","has coordinates,has disorder","298143","2025-03-04","19:26:21",""
"1573689","11.04999","0.00019","23.491","0.0006","22.4123","0.0004","90","","100.772","0.0017","90","","5715.2","0.2","286","3","286","3","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H29 B N2 O3 -","- C30 H29 B N2 O3 -","- C240 H232 B8 N16 O24 -","8","2","","Qin, Hao-Ni; Jiang, Hao-Wen; Zhao, Yi; Qurban, Saira; Wang, Ke-Chun; Xu, Peng-Fei","Photocatalytic [3 + 2]-annulation <i>via</i> sodium tetraarylborate: a fundamental approach for synthesizing 1,4,2-diazaborole analogs.","Chemical science","2025","16","6","2837","2842","10.1039/d4sc08085h","","x-ray","1.54184","CuKα","","0.0651","0.0467","","","0.1185","0.1283","","","","","","1.032","","","","has coordinates","299904","2025-06-02","18:21:25",""
"1573690","8.9672","0.0004","14.2728","0.0006","19.4271","0.0009","90","","90","","90","","2486.42","0.19","2035","2","2035","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H34 I N O5 Si -","- C21 H34 I N O5 Si -","- C84 H136 I4 N4 O20 Si4 -","4","1","","Seo, Seung Mo; Kim, Dongwook; Kim, Taewan; Han, Sunkyu","Total synthesis of (-)-flueggenine A and (-)-15'-<i>epi</i>-flueggenine D.","Chemical science","2025","16","3","1216","1221","10.1039/d4sc07525k","","","0.71073","MoKα","","0.0333","0.0256","","","0.053","0.0569","","","","","","1.07","","","","has coordinates,has disorder","298163","2025-03-04","19:32:34",""
"1573691","11.95","0.002","6.4623","0.0013","13.674","0.002","90","","103.465","0.005","90","","1026.9","0.3","203","2","203","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H26 N2 O4 -","- C24 H26 N2 O4 -","- C48 H52 N4 O8 -","2","1","","Seo, Seung Mo; Kim, Dongwook; Kim, Taewan; Han, Sunkyu","Total synthesis of (-)-flueggenine A and (-)-15'-<i>epi</i>-flueggenine D.","Chemical science","2025","16","3","1216","1221","10.1039/d4sc07525k","","","0.71073","MoKα","","0.1784","0.0932","","","0.1118","0.1343","","","","","","1.13","","","","has coordinates,has disorder","298163","2025-03-04","19:32:34",""
"1573692","6.8112","0.0003","9.0531","0.0004","23.2935","0.001","90","","95.8682","0.0016","90","","1428.81","0.11","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H45 N O5 Si2 -","- C24 H45 N O5 Si2 -","- C48 H90 N2 O10 Si4 -","2","1","","Seo, Seung Mo; Kim, Dongwook; Kim, Taewan; Han, Sunkyu","Total synthesis of (-)-flueggenine A and (-)-15'-<i>epi</i>-flueggenine D.","Chemical science","2025","16","3","1216","1221","10.1039/d4sc07525k","","","0.71073","MoKα","","0.0423","0.0372","","","0.0882","0.0902","","","","","","1.051","","","","has coordinates,has disorder","298163","2025-03-04","19:32:34",""
"1573693","8.5047","0.0019","46.069","0.01","6.8117","0.0016","90","","90","","90","","2668.8","1","253","2","253","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C23 H35 I N O5 Si -","- C23 H35 I N O5 Si -","- C92 H140 I4 N4 O20 Si4 -","4","1","","Seo, Seung Mo; Kim, Dongwook; Kim, Taewan; Han, Sunkyu","Total synthesis of (-)-flueggenine A and (-)-15'-<i>epi</i>-flueggenine D.","Chemical science","2025","16","3","1216","1221","10.1039/d4sc07525k","","","0.71073","MoKα","","0.1205","0.0849","","","0.1419","0.155","","","","","","1.198","","","","has coordinates","298163","2025-03-04","19:32:34",""
"1573694","17.7153","0.0014","5.8663","0.0005","18.0482","0.0015","90","","99.613","0.002","90","","1849.3","0.3","203","2","203","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36 H50 N2 O12 -","- C36 H50 N2 O12 -","- C72 H100 N4 O24 -","2","1","","Seo, Seung Mo; Kim, Dongwook; Kim, Taewan; Han, Sunkyu","Total synthesis of (-)-flueggenine A and (-)-15'-<i>epi</i>-flueggenine D.","Chemical science","2025","16","3","1216","1221","10.1039/d4sc07525k","","","0.71073","MoKα","","0.1435","0.0736","","","0.1166","0.137","","","","","","1.094","","","","has coordinates,has disorder","298163","2025-03-04","19:32:34",""
"1573695","16.77164","0.00005","16.77164","0.00005","16.77164","0.00005","90","","90","","90","","4717.66","0.02","100","0.1","100","0.1","","","","","","","","6","I -4 3 m","I -4 2 3","217","","MAF-78","","- C7 H9 Br2 N7 O Zn -","- C7 H9 Br2 N7 O Zn -","- C84 H108 Br24 N84 O12 Zn12 -","12","0.25","","Liang, Zi-Jun; Dong, Fang-Di; Ye, Le; Zheng, Kai; Hu, Ding-Yi; Feng, Xi; Su, Wen-Yu; Wang, Zhi-Shuo; Zhou, Mu-Yang; Fang, Zi-Luo; Zhou, Dong-Dong; Zhang, Jie-Peng; Chen, Xiao-Ming","Introducing halogen-bonded gates into zeolitic frameworks for efficient benzene/cyclohexene/cyclohexane separation.","Chemical science","2025","16","7","3307","3312","10.1039/d4sc06624c","","x-ray","1.54184","CuKα","","0.0857","0.0857","","","0.2615","0.2616","","","","","","1.093","","","","has coordinates,has disorder","298145","2025-03-04","19:26:44",""
"1573696","16.7719","0.0001","16.7719","0.0001","16.7719","0.0001","90","","90","","90","","4717.88","0.05","100","0.1","100","0.1","","","","","","","","5","I -4 3 m","I -4 2 3","217","","","","- C10.96 H8.96 Br2 N6 Zn -","- C10 H8 Br2 N6 Zn -","- C120 H96 Br24 N72 Zn12 -","12","0.25","","Liang, Zi-Jun; Dong, Fang-Di; Ye, Le; Zheng, Kai; Hu, Ding-Yi; Feng, Xi; Su, Wen-Yu; Wang, Zhi-Shuo; Zhou, Mu-Yang; Fang, Zi-Luo; Zhou, Dong-Dong; Zhang, Jie-Peng; Chen, Xiao-Ming","Introducing halogen-bonded gates into zeolitic frameworks for efficient benzene/cyclohexene/cyclohexane separation.","Chemical science","2025","16","7","3307","3312","10.1039/d4sc06624c","","x-ray","1.54184","CuKα","","0.0468","0.0468","","","0.13","0.13","","","","","","1.102","","","","has coordinates,has disorder","298145","2025-03-04","19:26:44",""
"1573697","4.9516","0.0003","7.6029","0.0004","7.1865","0.0004","90","","105.062","0.006","90","","261.25","0.03","300","2","300","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- O7 S Te Ti -","- O7 S Te Ti -","- O14 S2 Te2 Ti2 -","2","1","","Li, Zhenhua; Liang, Zhengli; Wan, Jiahao; Liu, Lehui; Wu, Chunxiang; Wang, Ping; Jiang, Xingxing; Lin, Zheshuai; Liu, Hongming","Different p-block elements induce C<sub>3</sub>[111] octahedral distortion in titanium to generate an intense nonlinear effect.","Chemical science","2025","16","7","3329","3335","10.1039/d4sc06620k","","","0.71073","MoKα","","0.0244","0.0232","","","0.0445","0.0453","","","","","","1.07","","","","has coordinates","298139","2025-03-04","19:24:42",""
"1573703","11.823","0.0003","13.6657","0.0003","23.0648","0.0006","100.582","0.002","94.663","0.002","108.17","0.002","3442.01","0.16","200","0.1","200","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C72 H54 F3 N5 O4 S2 -","- C72 H54 F3 N5 O4 S2 -","- C144 H108 F6 N10 O8 S4 -","2","1","","Liu, Junxiang; Wang, Kangmin; Wan, Liqiu; Yang, Xianhui; Li, Bijin","Ruthenium-catalyzed C-H bond activation and annulation of phenothiazine-3-carbaldehydes: facile access to dual-emission materials.","Chemical science","2025","16","7","3107","3113","10.1039/d4sc07825j","","x-ray","1.54184","CuKα","","0.3465","0.3244","","","0.6657","0.6974","","","","","","3.328","","","","has coordinates","298137","2025-03-04","19:23:40",""
"1573704","8.1766","0.0001","15.5546","0.0002","14.6671","0.0002","90","","99.429","0.001","90","","1840.21","0.04","110","0.1","110","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H20 F3 N Zr -","- C21 H20 F3 N Zr -","- C84 H80 F12 N4 Zr4 -","4","1","","Bonfante, Sara; Tanner, Theo F. N.; Lorber, Christian; Lynam, Jason M.; Simonneau, Antoine; Slattery, John M.","Zirconium-mediated carbon-fluorine bond functionalisation through cyclohexyne ""umpolung"".","Chemical science","2025","16","8","3552","3559","10.1039/d4sc08522a","","x-ray","1.54184","CuKα","","0.0274","0.0247","","","0.0608","0.0621","","","","","","1.095","","","","has coordinates","298106","2025-03-04","19:07:20",""
"1573706","9.889","0.008","23.89","0.02","12.335","0.01","90","","98.52","0.02","90","","2882","4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H15 N3 O S -","- C15 H15 N3 O S -","- C120 H120 N24 O8 S8 -","8","2","","Sentürk, Bengi; Butschke, Burkhard; Eisenreich, Fabian","Thiosemicarbazones as versatile photoswitches with light-controllable supramolecular activity.","Chemical science","2025","16","7","3130","3140","10.1039/d4sc08530b","","x-ray","0.71073","MoKα","","0.0503","0.04","","","0.0919","0.0971","","","","","","1.031","","","","has coordinates","298138","2025-03-04","19:24:32",""
"1573707","5.9879","0.0013","10.235","0.003","11.312","0.003","66.744","0.009","82.452","0.008","86.562","0.013","631.4","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H13 N3 S -","- C14 H13 N3 S -","- C28 H26 N6 S2 -","2","1","","Sentürk, Bengi; Butschke, Burkhard; Eisenreich, Fabian","Thiosemicarbazones as versatile photoswitches with light-controllable supramolecular activity.","Chemical science","2025","16","7","3130","3140","10.1039/d4sc08530b","","x-ray","0.71073","MoKα","","0.0368","0.033","","","0.0837","0.0859","","","","","","1.051","","","","has coordinates","298138","2025-03-04","19:24:33",""
"1573708","7.866","0.002","8.231","0.002","11.963","0.005","92.336","0.004","96.812","0.011","111.933","0.013","710.4","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H11 Cl2 N3 S -","- C14 H11 Cl2 N3 S -","- C28 H22 Cl4 N6 S2 -","2","1","","Sentürk, Bengi; Butschke, Burkhard; Eisenreich, Fabian","Thiosemicarbazones as versatile photoswitches with light-controllable supramolecular activity.","Chemical science","2025","16","7","3130","3140","10.1039/d4sc08530b","","x-ray","0.71073","MoKα","","0.0297","0.0264","","","0.0666","0.0683","","","","","","1.026","","","","has coordinates","298138","2025-03-04","19:24:33",""
"1573709","6.643","0.006","7.435","0.007","28.49","0.03","90","","90","","90","","1407","2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 N4 O S -","- C14 H14 N4 O S -","- C56 H56 N16 O4 S4 -","4","1","","Sentürk, Bengi; Butschke, Burkhard; Eisenreich, Fabian","Thiosemicarbazones as versatile photoswitches with light-controllable supramolecular activity.","Chemical science","2025","16","7","3130","3140","10.1039/d4sc08530b","","x-ray","0.71073","MoKα","","0.0342","0.0324","","","0.0787","0.0797","","","","","","1.057","","","","has coordinates","298138","2025-03-04","19:24:33",""
"1573710","5.689","0.002","10.012","0.003","11.393","0.004","71.163","0.006","82.543","0.01","87.953","0.018","609","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H11 N3 S2 -","- C12 H11 N3 S2 -","- C24 H22 N6 S4 -","2","1","","Sentürk, Bengi; Butschke, Burkhard; Eisenreich, Fabian","Thiosemicarbazones as versatile photoswitches with light-controllable supramolecular activity.","Chemical science","2025","16","7","3130","3140","10.1039/d4sc08530b","","x-ray","0.71073","MoKα","","0.0296","0.0271","","","0.0744","0.0762","","","","","","1.042","","","","has coordinates,has disorder","298138","2025-03-04","19:24:33",""
"1573711","5.823","0.002","9.744","0.004","11.011","0.004","70.013","0.009","83.399","0.009","88.167","0.008","583.2","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H11 N3 O S -","- C12 H11 N3 O S -","- C24 H22 N6 O2 S2 -","2","1","","Sentürk, Bengi; Butschke, Burkhard; Eisenreich, Fabian","Thiosemicarbazones as versatile photoswitches with light-controllable supramolecular activity.","Chemical science","2025","16","7","3130","3140","10.1039/d4sc08530b","","x-ray","0.71073","MoKα","","0.0359","0.0319","","","0.0853","0.0874","","","","","","1.072","","","","has coordinates,has disorder","298138","2025-03-04","19:24:33",""
"1573712","28.98","0.009","6.951","0.003","14.974","0.005","90","","110.329","0.011","90","","2828.5","1.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H8 F5 N3 S -","- C14 H8 F5 N3 S -","- C112 H64 F40 N24 S8 -","8","1","","Sentürk, Bengi; Butschke, Burkhard; Eisenreich, Fabian","Thiosemicarbazones as versatile photoswitches with light-controllable supramolecular activity.","Chemical science","2025","16","7","3130","3140","10.1039/d4sc08530b","","x-ray","0.71073","MoKα","","0.0502","0.0386","","","0.0942","0.1","","","","","","1.053","","","","has coordinates","298138","2025-03-04","19:24:33",""
"1573713","8.589","0.003","9.902","0.004","14.679","0.006","106.882","0.005","94.204","0.003","111.756","0.003","1086.3","0.7","86","2","86","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H19 F3 O2 Si -","- C27 H19 F3 O2 Si -","- C54 H38 F6 O4 Si2 -","2","1","","Matsuo, Tomotoki; Sano, Masaki; Sumida, Yuto; Ohmiya, Hirohisa","Organic photoredox-catalyzed unimolecular PCET of benzylic alcohols.","Chemical science","2025","16","7","3150","3156","10.1039/d4sc07048h","","","0.71073","MoKα","","0.0383","0.0348","","","0.0919","0.0945","","","","","","1.036","","","","has coordinates","298144","2025-03-04","19:26:29",""
"1573725","10.4701","0.0003","8.8984","0.0002","19.622","0.0005","90","","99.531","0.003","90","","1802.89","0.08","123","2","123","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","benzo[c]phenanthro[9,10-a]phenanthridine","","- C29 H17 N -","- C29 H17 N -","- C116 H68 N4 -","4","1","","Maekawa, Takehisa; Itami, Kenichiro","Rapid access to functionalized nanographenes through a palladium-catalyzed multi-annulation sequence.","Chemical science","2025","16","7","3092","3098","10.1039/d4sc07995g","","","0.71073","MoKα","","0.0382","0.0321","","","0.0809","0.0843","","","","","","1.049","","","","has coordinates","298142","2025-03-04","19:25:38",""
"1573732","15.245","0.0013","17.2704","0.0013","17.6243","0.0014","92.495","0.003","102.397","0.003","112.807","0.002","4136.1","0.6","100","2","100","","","","","","","","","7","P -1","-P 1","2","","","","- C79 H80 B5 F24 N5 O2 Sn -","- C78 H69 B F24 N4 O2 Sn -","- C156 H138 B2 F48 N8 O4 Sn2 -","2","1","","Niu, Dechuang; Kostenko, Arseni; Kelly, John A.; Sarkar, Debotra; Xu, Huihui; Inoue, Shigeyoshi","CO<sub>2</sub> hydrosilylation catalyzed by an N-heterocyclic carbene (NHC)-stabilized stannyliumylidene.","Chemical science","2025","16","9","4014","4022","10.1039/d4sc07116f","","","0.71073","MoKα","","0.0457","0.0418","","","0.1026","0.1061","","","","","","1.067","","","","has coordinates,has disorder","298151","2025-03-04","19:27:52",""
"1573733","13.4232","0.0004","17.0569","0.0006","18.5469","0.0007","102.535","0.003","101.839","0.003","109.969","0.003","3711.1","0.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C70.01 H61 B F24 N4 Sn -","- C70 H61 B F24 N4 Sn -","- C140 H122 B2 F48 N8 Sn2 -","2","1","","Niu, Dechuang; Kostenko, Arseni; Kelly, John A.; Sarkar, Debotra; Xu, Huihui; Inoue, Shigeyoshi","CO<sub>2</sub> hydrosilylation catalyzed by an N-heterocyclic carbene (NHC)-stabilized stannyliumylidene.","Chemical science","2025","16","9","4014","4022","10.1039/d4sc07116f","","","1.54184","CuKα","","0.0649","0.0484","","","0.1198","0.1323","","","","","","1.032","","","","has coordinates,has disorder","298151","2025-03-04","19:27:53",""
"1573734","10.4739","0.0005","16.089","0.0008","23.3384","0.0011","109.831","0.002","92.107","0.002","102.86","0.002","3579.7","0.3","100","2","100","","","","","","","","","7","P -1","-P 1","2","","","","- C72 H61 B F24 N4 O4 Sn -","- C72 H61 B F24 N4 O4 Sn -","- C144 H122 B2 F48 N8 O8 Sn2 -","2","1","","Niu, Dechuang; Kostenko, Arseni; Kelly, John A.; Sarkar, Debotra; Xu, Huihui; Inoue, Shigeyoshi","CO<sub>2</sub> hydrosilylation catalyzed by an N-heterocyclic carbene (NHC)-stabilized stannyliumylidene.","Chemical science","2025","16","9","4014","4022","10.1039/d4sc07116f","","","0.71073","MoKα","","0.0325","0.0299","","","0.0702","0.0719","","","","","","1.029","","","","has coordinates,has disorder","298151","2025-03-04","19:27:53",""
"1573735","36.1356","0.0002","16.4719","0.0002","28.0985","0.0003","90","","90","","90","","16724.8","0.3","293","2","293","2","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C70 H86 Cl2 Cu6 F9 N7 O7 S4 -","- C60 H68 Cl2 Cu6 F6 N5 O3 S4 -","- C480 H544 Cl16 Cu48 F48 N40 O24 S32 -","8","1","","Das, Saikat; Sakai, Jin; Nakatani, Riki; Kondo, Ayumu; Tomioka, Rina; Das, Subhabrata; Takahashi, Shuntaro; Kawawaki, Tokuhisa; Biswas, Sourav; Negishi, Yuichi","Tunable structural rearrangement in Cu cluster assemblies through linker and solvent alterations.","Chemical science","2025","16","6","2600","2608","10.1039/d4sc07730j","","","1.54184","CuKα","","0.1215","0.1032","","","0.3038","0.3217","","","","","","1.055","","","","has coordinates,has disorder","298129","2025-03-04","19:21:23",""
"1573736","30.937","0.0004","30.937","0.0004","30.937","0.0004","90","","90","","90","","29609.7","0.7","293","2","293","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C124 H178.5 Cu6 N18.5 O10.5 S4 -","- C82 H84 Cu6 N8 S4 -","- C656 H672 Cu48 N64 S32 -","8","0.333333","","Das, Saikat; Sakai, Jin; Nakatani, Riki; Kondo, Ayumu; Tomioka, Rina; Das, Subhabrata; Takahashi, Shuntaro; Kawawaki, Tokuhisa; Biswas, Sourav; Negishi, Yuichi","Tunable structural rearrangement in Cu cluster assemblies through linker and solvent alterations.","Chemical science","2025","16","6","2600","2608","10.1039/d4sc07730j","","x-ray","1.54178","CuKα","","0.2063","0.1048","","","0.1627","0.243","","","","","","1.028","","","","has coordinates","298129","2025-03-04","19:21:25",""
"1573737","40.186","0.002","17.9336","0.001","43.303","0.002","90","","108.171","0.002","90","","29651","3","273.15","","273.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C82 H99 Cu7 F9 N15 O15 S4 -","- C72 H81 Cu7 F6 N13 O11 S4 -","- C576 H648 Cu56 F48 N104 O88 S32 -","8","1","","Das, Saikat; Sakai, Jin; Nakatani, Riki; Kondo, Ayumu; Tomioka, Rina; Das, Subhabrata; Takahashi, Shuntaro; Kawawaki, Tokuhisa; Biswas, Sourav; Negishi, Yuichi","Tunable structural rearrangement in Cu cluster assemblies through linker and solvent alterations.","Chemical science","2025","16","6","2600","2608","10.1039/d4sc07730j","","","0.71073","MoKα","","0.1198","0.0791","","","0.2368","0.2649","","","","","","1.08","","","","has coordinates","298129","2025-03-04","19:21:26",""
"1573738","13.4577","0.0014","13.9427","0.0013","13.9994","0.0014","82.041","0.003","82.058","0.003","75.543","0.003","2504.4","0.4","273.15","","273.15","","","","","","","","","8","P -1","-P 1","2","","","","- C3.21 H3.97 Cl0.49 Cu0.48 F0.57 N0.19 O0.38 S0.29 -","- C3.04762 H3.71429 Cu0.47619 F0.571429 N0.190476 O0.380952 S0.285714 -","- C64 H78 Cu10 F12 N4 O8 S6 -","21","10.5","","Das, Saikat; Sakai, Jin; Nakatani, Riki; Kondo, Ayumu; Tomioka, Rina; Das, Subhabrata; Takahashi, Shuntaro; Kawawaki, Tokuhisa; Biswas, Sourav; Negishi, Yuichi","Tunable structural rearrangement in Cu cluster assemblies through linker and solvent alterations.","Chemical science","2025","16","6","2600","2608","10.1039/d4sc07730j","","","0.71073","MoKα","","0.0981","0.0681","","","0.1717","0.1916","","","","","","1.024","","","","has coordinates","298129","2025-03-04","19:21:27",""
"1573739","24.6205","0.0009","17.0084","0.0007","22.4482","0.0009","90","","90","","90","","9400.3","0.6","273.15","","273.15","","","","","","","","","8","I m m a","-I 2b 2","74","","","","- C42.5 H48 Cl5 Cu6 F3 N4 O2 S8 -","- C40 H43 Cu6 F3 N4 O2 S8 -","- C160 H172 Cu24 F12 N16 O8 S32 -","4","0.25","","Das, Saikat; Sakai, Jin; Nakatani, Riki; Kondo, Ayumu; Tomioka, Rina; Das, Subhabrata; Takahashi, Shuntaro; Kawawaki, Tokuhisa; Biswas, Sourav; Negishi, Yuichi","Tunable structural rearrangement in Cu cluster assemblies through linker and solvent alterations.","Chemical science","2025","16","6","2600","2608","10.1039/d4sc07730j","","","0.71073","MoKα","","0.0961","0.0796","","","0.1768","0.1862","","","","","","1.089","","","","has coordinates,has disorder","298129","2025-03-04","19:21:28",""
"1573740","13.9234","0.0004","11.9576","0.0004","23.9446","0.0007","90","","91.901","0.001","90","","3984.4","0.2","273.15","","273.15","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C27 H37 Cl2 Cu5 F6 N4 O4 S3 -","- C29 H37 Cl2 Cu5 F6 N2 O4 S3 -","- C116 H148 Cl8 Cu20 F24 N8 O16 S12 -","4","1","","Das, Saikat; Sakai, Jin; Nakatani, Riki; Kondo, Ayumu; Tomioka, Rina; Das, Subhabrata; Takahashi, Shuntaro; Kawawaki, Tokuhisa; Biswas, Sourav; Negishi, Yuichi","Tunable structural rearrangement in Cu cluster assemblies through linker and solvent alterations.","Chemical science","2025","16","6","2600","2608","10.1039/d4sc07730j","","","0.71073","MoKα","","0.0691","0.0509","","","0.1206","0.1298","","","","","","1.031","","","","has coordinates","298129","2025-03-04","19:21:28",""
"1573741","20.5359","0.001","15.906","0.0008","18.1932","0.001","90","","102.802","0.002","90","","5795","0.5","90.15","","90.15","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","n/a","","- C2.8 H3.28 Cl0.16 Cu0.4 F0.48 N0.16 O0.32 S0.4 -","- C2.72 H3.12 Cu0.4 F0.48 N0.16 O0.32 S0.4 -","- C136 H156 Cu20 F24 N8 O16 S20 -","50","12.5","","Das, Saikat; Sakai, Jin; Nakatani, Riki; Kondo, Ayumu; Tomioka, Rina; Das, Subhabrata; Takahashi, Shuntaro; Kawawaki, Tokuhisa; Biswas, Sourav; Negishi, Yuichi","Tunable structural rearrangement in Cu cluster assemblies through linker and solvent alterations.","Chemical science","2025","16","6","2600","2608","10.1039/d4sc07730j","","","0.71073","MoKα","","0.0958","0.0582","","","0.1524","0.1738","","","","","","1.05","","","","has coordinates,has disorder","298129","2025-03-04","19:21:31",""
"1573742","17.9182","0.0007","19.9055","0.0008","13.5411","0.0006","90","","127.513","0.001","90","","3831","0.3","170","","170","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H42 B2 N2 O2 -","- C50 H42 B2 N2 O2 -","- C200 H168 B8 N8 O8 -","4","0.5","","Xue, Zhuixing; Xiao, Zhengqi; Zou, Yang; Chen, Zhanxiang; Liu, Jiahui; Huang, Zhongyan; Yang, Chuluo","A mesityl-functionalized double-boron-nitrogen-oxygen-embedded multi-resonance framework achieves anti-quenching narrowband deep-blue electroluminescence with EQE over 30% and CIE <sub><i>y</i></sub> of 0.046.","Chemical science","2025","16","8","3655","3661","10.1039/d4sc07503j","","","1.34139","GaKα","","0.0635","0.0548","","","0.1604","0.1686","","","","","","1.09","","","","has coordinates","298107","2025-03-04","19:07:48",""
"1573743","16.4777","0.0008","19.3715","0.0009","19.7104","0.0009","82.656","0.002","89.376","0.002","77.021","0.002","6079.5","0.5","170","","170","","","","","","","","","5","P -1","-P 1","2","","","","- C68 H62 B2 N2 O2 -","- C68 H62 B2 N2 O2 -","- C272 H248 B8 N8 O8 -","4","2","","Xue, Zhuixing; Xiao, Zhengqi; Zou, Yang; Chen, Zhanxiang; Liu, Jiahui; Huang, Zhongyan; Yang, Chuluo","A mesityl-functionalized double-boron-nitrogen-oxygen-embedded multi-resonance framework achieves anti-quenching narrowband deep-blue electroluminescence with EQE over 30% and CIE <sub><i>y</i></sub> of 0.046.","Chemical science","2025","16","8","3655","3661","10.1039/d4sc07503j","","","1.34139","GaKα","","0.083","0.069","","","0.2106","0.2235","","","","","","1.068","","","","has coordinates,has disorder","298107","2025-03-04","19:07:49",""
"1573744","20.926","0.005","20.984","0.005","21.932","0.005","64.82","0.009","76.693","0.01","77.002","0.009","8393","3","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C312 H372 N36 O42 S24 Ti12 -","- C240 H264 O42 S24 Ti12 -","- C240 H264 O42 S24 Ti12 -","1","0.5","","Meng, Ru-Xin; Zhao, Lan-Cheng; Luo, Li-Pan; Tian, Yi-Qi; Shao, Yong-Liang; Tang, Qing; Wang, Likai; Yan, Jun; Liu, Chao","Atomic-level engineering of single Ag1+ site distribution on titanium–oxo cluster surfaces to boost CO2 electroreduction","Chemical Science","2025","16","16","6845","6852","10.1039/D4SC07186G","","x-ray","1.34139","GaKα","","0.1608","0.1376","","","0.3421","0.3582","","","","","","0.955","","","","has coordinates,has disorder","300613","2025-07-06","14:20:47",""
"1573745","16.0181","0.0003","18.7809","0.0003","30.2892","0.0005","90","","92.8776","0.0015","90","","9100.5","0.3","150","","150","","","","","","","","","7","I 1 2/m 1","-I 2y","12","","","","- C82 H90.68 Ag2 N O11 S8 Ti2 -","- C80 H87.678 Ag2 O11 S8 Ti2 -","- C320 H350.712 Ag8 O44 S32 Ti8 -","4","0.5","","Meng, Ru-Xin; Zhao, Lan-Cheng; Luo, Li-Pan; Tian, Yi-Qi; Shao, Yong-Liang; Tang, Qing; Wang, Likai; Yan, Jun; Liu, Chao","Atomic-level engineering of single Ag1+ site distribution on titanium–oxo cluster surfaces to boost CO2 electroreduction","Chemical Science","2025","16","16","6845","6852","10.1039/D4SC07186G","","x-ray","1.54184","CuKα","","0.1023","0.0905","","","0.2424","0.2488","","","","","","1.075","","","","has coordinates,has disorder","300613","2025-07-06","14:20:49",""
"1573746","21.329","0.003","34.611","0.005","23.413","0.005","90","","116.73","0.005","90","","15437","5","150","","150","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C265.64 H306.46 Ag4.51 N12.82 O42.76 S24 Ti12 -","- C265.64 H306.46 Ag4.506 N12.82 O42.758 S24 Ti12 -","- C531.28 H612.92 Ag9.012 N25.64 O85.516 S48 Ti24 -","2","0.5","","Meng, Ru-Xin; Zhao, Lan-Cheng; Luo, Li-Pan; Tian, Yi-Qi; Shao, Yong-Liang; Tang, Qing; Wang, Likai; Yan, Jun; Liu, Chao","Atomic-level engineering of single Ag1+ site distribution on titanium–oxo cluster surfaces to boost CO2 electroreduction","Chemical Science","2025","16","16","6845","6852","10.1039/D4SC07186G","","x-ray","1.34139","GaKα","","0.107","0.0724","","","0.1936","0.2185","","","","","","1.022","","","","has coordinates,has disorder","300613","2025-07-06","14:20:50",""
"1573747","33.1669","0.0003","21.7916","0.0002","35.921","0.0006","90","","91.759","0.001","90","","25950","0.5","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C200 H221.72 Na O36 S20 Ti8 -","- C200 H221.819 Na O36 S20 Ti8 -","- C800 H887.276 Na4 O144 S80 Ti32 -","4","1","","Meng, Ru-Xin; Zhao, Lan-Cheng; Luo, Li-Pan; Tian, Yi-Qi; Shao, Yong-Liang; Tang, Qing; Wang, Likai; Yan, Jun; Liu, Chao","Atomic-level engineering of single Ag1+ site distribution on titanium–oxo cluster surfaces to boost CO2 electroreduction","Chemical Science","2025","16","16","6845","6852","10.1039/D4SC07186G","","x-ray","1.54184","CuKα","","0.1465","0.098","","","0.291","0.3272","","","","","","1.047","","","","has coordinates,has disorder","300613","2025-07-06","14:20:59",""
"1573748","11.919","0.0003","12.4961","0.0003","13.0349","0.0003","61.504","0.001","89.234","0.001","89.801","0.001","1706.07","0.07","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C2.95 H5.9 In0.1 N0.29 O0.38 -","- C2.95238 H5.90476 In0.0952381 N0.285714 O0.380952 -","- C62 H124 In2 N6 O8 -","21","10.5","","Riu, Martin-Louis Y; Shan, Jing-Ran; Houk, K. N.; Nava, Matthew","Metal-ligand cooperativity enables zero-valent metal transfer.","Chemical science","2025","16","9","3888","3894","10.1039/d4sc07938h","","x-ray","1.54178","CuKα","","0.028","0.0272","","","0.105","0.1067","","","","","","1.012","","","","has coordinates,has disorder","298152","2025-03-04","19:28:07",""
"1573749","11.7623","0.0004","12.4407","0.0005","12.9344","0.0005","118.532","0.002","91.442","0.002","90.128","0.002","1662.09","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H62 Al N3 O4 -","- C31 H62 Al N3 O4 -","- C62 H124 Al2 N6 O8 -","2","1","","Riu, Martin-Louis Y; Shan, Jing-Ran; Houk, K. N.; Nava, Matthew","Metal-ligand cooperativity enables zero-valent metal transfer.","Chemical science","2025","16","9","3888","3894","10.1039/d4sc07938h","","","1.54178","CuKα","","0.055","0.0493","","","0.1465","0.1484","","","","","","1.116","","","","has coordinates","298152","2025-03-04","19:28:07",""
"1573750","11.7627","0.0004","12.4302","0.0005","12.9451","0.0005","118.425","0.001","91.211","0.001","90.139","0.001","1664.01","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H62 Ga N3 O4 -","- C31 H62 Ga N3 O4 -","- C62 H124 Ga2 N6 O8 -","2","1","","Riu, Martin-Louis Y; Shan, Jing-Ran; Houk, K. N.; Nava, Matthew","Metal-ligand cooperativity enables zero-valent metal transfer.","Chemical science","2025","16","9","3888","3894","10.1039/d4sc07938h","","","1.54178","CuKα","","0.032","0.0306","","","0.0791","0.08","","","","","","1.085","","","","has coordinates","298152","2025-03-04","19:28:07",""
"1573751","12.4969","0.001","9.4605","0.0005","18.0744","0.0011","90","","90","","90","","2136.9","0.2","100","2","100","2","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C18 H36 In2 N2 O2 -","- C18 H36 In2 N2 O2 -","- C72 H144 In8 N8 O8 -","4","0.25","","Riu, Martin-Louis Y; Shan, Jing-Ran; Houk, K. N.; Nava, Matthew","Metal-ligand cooperativity enables zero-valent metal transfer.","Chemical science","2025","16","9","3888","3894","10.1039/d4sc07938h","","","0.71073","MoKα","","0.0283","0.0203","","","0.0425","0.0443","","","","","","1.035","","","","has coordinates","301209","2025-07-10","11:18:53",""
"1573752","12.0657","0.0005","12.8632","0.0005","19.2485","0.0009","90","","94.979","0.002","90","","2976.2","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H56 Ga N3 O3 -","- C27 H56 Ga N3 O3 -","- C108 H224 Ga4 N12 O12 -","4","1","","Riu, Martin-Louis Y; Shan, Jing-Ran; Houk, K. N.; Nava, Matthew","Metal-ligand cooperativity enables zero-valent metal transfer.","Chemical science","2025","16","9","3888","3894","10.1039/d4sc07938h","","","0.71073","MoKα","","0.0567","0.0422","","","0.0831","0.0918","","","","","","1.045","","","","has coordinates","298152","2025-03-04","19:28:07",""
"1573755","12.5383","0.0006","9.5231","0.0004","18.69","0.001","90","","97.104","0.002","90","","2214.52","0.18","100","0.2","100","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H31 N O2 -","- C27 H31 N O2 -","- C108 H124 N4 O8 -","4","1","","Meng, Huan; Jia, Jun-Song; Yang, Peng-Fei; Li, Yu-Long; Yu, Qiong; Shu, Wei","Ni-catalyzed regioselective and site-divergent reductive arylalkylations of allylic amines.","Chemical science","2025","16","10","4442","4449","10.1039/d4sc07728h","","x-ray","1.54178","CuKα","","0.091","0.0837","","","0.2105","0.2218","","","","","","1.053","","","","has coordinates","298795","2025-04-05","02:21:08",""
"1573756","13.8063","0.0006","17.9373","0.0008","9.9554","0.0005","90","","113.319","0.002","90","","2264.04","0.18","227","2","227","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C27 H28 N2 O -","- C27 H28 N2 O -","- C108 H112 N8 O4 -","4","1","","Meng, Huan; Jia, Jun-Song; Yang, Peng-Fei; Li, Yu-Long; Yu, Qiong; Shu, Wei","Ni-catalyzed regioselective and site-divergent reductive arylalkylations of allylic amines.","Chemical science","2025","16","10","4442","4449","10.1039/d4sc07728h","","","1.54178","CuKα","","0.0606","0.0552","","","0.1474","0.152","","","","","","1.072","","","","has coordinates","298795","2025-04-05","02:21:09",""
"1573757","4.5931","0.0002","11.6051","0.0004","22.0202","0.0008","90","","90","","90","","1173.75","0.08","113.15","","113.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C3 H10 I3 N O Pb -","- C3 H10 I3 N O Pb -","- C12 H40 I12 N4 O4 Pb4 -","4","1","","Li, Hongxu; Cao, Rui; Tao, Min; Jiang, Jiawei; Xiao, Yin","Chiral perovskites with a unique 1D chain structure: impact of chiral ligand geometry on local inversion asymmetry and chiral-induced spin selectivity.","Chemical science","2025","16","9","4057","4065","10.1039/d4sc08434a","","x-ray","0.71073","MoKα","","0.0396","0.0367","","","0.0773","0.0793","","","","","","1.047","","","","has coordinates","298148","2025-03-04","19:27:16",""
"1573758","4.5899","0.0001","11.5987","0.0004","22.0076","0.0006","90","","90","","90","","1171.62","0.06","113.15","","113.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C3 H10 I3 N O Pb -","- C3 H10 I3 N O Pb -","- C12 H40 I12 N4 O4 Pb4 -","4","1","","Li, Hongxu; Cao, Rui; Tao, Min; Jiang, Jiawei; Xiao, Yin","Chiral perovskites with a unique 1D chain structure: impact of chiral ligand geometry on local inversion asymmetry and chiral-induced spin selectivity.","Chemical science","2025","16","9","4057","4065","10.1039/d4sc08434a","","x-ray","0.71073","MoKα","","0.0464","0.0433","","","0.0902","0.0925","","","","","","1.006","","","","has coordinates","298148","2025-03-04","19:27:16",""
"1573759","9.0752","0.0001","20.3258","0.0002","11.2289","0.0001","90","","111.107","0.001","90","","1932.33","0.04","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H22 N2 O3 S -","- C21 H22 N2 O3 S -","- C84 H88 N8 O12 S4 -","4","1","","Lai, Ze-Min; Xie, Ying; Huang, Le-Le; Guo, Jing; Lu, Gui","Catalytic enantioselective synthesis of α-C chiral sulfones enabled by merging photoactive electron donor-acceptor complexes with nickel catalysis.","Chemical science","2025","16","10","4352","4359","10.1039/d4sc07264b","","x-ray","1.54184","CuKα","","0.0328","0.0317","","","0.0844","0.0851","","","","","","1.039","","","","has coordinates","298791","2025-04-05","02:20:20",""
"1573760","8.6576","0.0003","11.4823","0.0004","11.8769","0.0005","70.882","0.004","79.329","0.003","82.137","0.003","1092.57","0.08","150","0.2","150","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H25 I N2 O -","- C24 H25 I N2 O -","- C48 H50 I2 N4 O2 -","2","1","","Wootton, Jack M.; Roper, Natalie J.; Morris, Catrin E.; Maguire, Victoria E.; Duff, Lee C.; Waddell, Paul G.; Whitwood, Adrian C.; Gammons, Richard J.; Miah, Afjal H.; Lynam, Jason M.; Armstrong, Roly J.; Unsworth, William P.","Stereoselective synthesis of atropisomeric amides enabled by intramolecular acyl transfer.","Chemical science","2025","16","9","3938","3945","10.1039/d4sc05760k","","x-ray","1.54184","CuKα","","0.0373","0.0325","","","0.0817","0.0853","","","","","","1.086","","","","has coordinates,has disorder","298153","2025-03-04","19:28:26",""
"1573761","8.3156","0.0003","15.8552","0.0005","17.6204","0.0006","90","","101.442","0.003","90","","2277","0.14","110.2","0.2","110.2","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-(2-(tert-butyl)phenyl)-N-(1-phenyl-2-(pyridin-2-yl)ethyl)furan-2-carboxamide","","- C28 H28 N2 O2 -","- C28 H28 N2 O2 -","- C112 H112 N8 O8 -","4","1","","Wootton, Jack M.; Roper, Natalie J.; Morris, Catrin E.; Maguire, Victoria E.; Duff, Lee C.; Waddell, Paul G.; Whitwood, Adrian C.; Gammons, Richard J.; Miah, Afjal H.; Lynam, Jason M.; Armstrong, Roly J.; Unsworth, William P.","Stereoselective synthesis of atropisomeric amides enabled by intramolecular acyl transfer.","Chemical science","2025","16","9","3938","3945","10.1039/d4sc05760k","","x-ray","1.54184","CuKα","","0.0365","0.0312","","","0.0792","0.0819","","","","","","1.042","","","","has coordinates","298153","2025-03-04","19:28:27",""
"1573762","11.85289","0.00015","23.3855","0.0003","8.96547","0.0001","90","","104.164","0.0012","90","","2409.55","0.05","110","0.1","110","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-(2-(tert-butyl)phenyl)-N-(1-phenyl-2-(pyridin-2-yl)ethyl)benzamide","","- C30 H30 N2 O -","- C30 H30 N2 O -","- C120 H120 N8 O4 -","4","1","","Wootton, Jack M.; Roper, Natalie J.; Morris, Catrin E.; Maguire, Victoria E.; Duff, Lee C.; Waddell, Paul G.; Whitwood, Adrian C.; Gammons, Richard J.; Miah, Afjal H.; Lynam, Jason M.; Armstrong, Roly J.; Unsworth, William P.","Stereoselective synthesis of atropisomeric amides enabled by intramolecular acyl transfer.","Chemical science","2025","16","9","3938","3945","10.1039/d4sc05760k","","x-ray","1.54184","CuKα","","0.0379","0.0349","","","0.089","0.0912","","","","","","1.036","","","","has coordinates","298153","2025-03-04","19:28:27",""
"1573763","8.7877","0.0001","13.2804","0.0002","10.4903","0.0001","90","","93.628","0.001","90","","1221.81","0.03","110","0.1","110","","","","","","","","","4","P 1 21 1","P 2yb","4","","N-(4-(benzyl(methyl)amino)butan-2-yl)-N-(2-(tert-butyl)phenyl)benzamide","","- C29 H36 N2 O -","- C29 H36 N2 O -","- C58 H72 N4 O2 -","2","1","","Wootton, Jack M.; Roper, Natalie J.; Morris, Catrin E.; Maguire, Victoria E.; Duff, Lee C.; Waddell, Paul G.; Whitwood, Adrian C.; Gammons, Richard J.; Miah, Afjal H.; Lynam, Jason M.; Armstrong, Roly J.; Unsworth, William P.","Stereoselective synthesis of atropisomeric amides enabled by intramolecular acyl transfer.","Chemical science","2025","16","9","3938","3945","10.1039/d4sc05760k","","x-ray","1.54184","CuKα","","0.0262","0.0253","","","0.0651","0.0658","","","","","","1.057","","","","has coordinates","298153","2025-03-04","19:28:27",""
"1573764","9.0247","0.0001","13.2322","0.0002","18.6064","0.0003","100.728","0.001","100.909","0.001","105.883","0.001","2030.78","0.05","109.95","0.1","109.95","0.1","","","","","","","","4","P -1","-P 1","2","","N-(2-(tert-butyl)phenyl)-N-(phenyl(pyridin-2-yl)methyl)propionamide","","- C25 H28 N2 O -","- C25 H28 N2 O -","- C100 H112 N8 O4 -","4","2","","Wootton, Jack M.; Roper, Natalie J.; Morris, Catrin E.; Maguire, Victoria E.; Duff, Lee C.; Waddell, Paul G.; Whitwood, Adrian C.; Gammons, Richard J.; Miah, Afjal H.; Lynam, Jason M.; Armstrong, Roly J.; Unsworth, William P.","Stereoselective synthesis of atropisomeric amides enabled by intramolecular acyl transfer.","Chemical science","2025","16","9","3938","3945","10.1039/d4sc05760k","","x-ray","1.54184","CuKα","","0.0442","0.0393","","","0.1064","0.1103","","","","","","1.079","","","","has coordinates","298153","2025-03-04","19:28:27",""
"1573765","9.0232","0.0001","10.8445","0.0001","12.5529","0.0002","95.795","0.001","99.084","0.001","96.98","0.001","1194.85","0.03","150","0.2","150","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H30 N2 O -","- C30 H30 N2 O -","- C60 H60 N4 O2 -","2","1","","Wootton, Jack M.; Roper, Natalie J.; Morris, Catrin E.; Maguire, Victoria E.; Duff, Lee C.; Waddell, Paul G.; Whitwood, Adrian C.; Gammons, Richard J.; Miah, Afjal H.; Lynam, Jason M.; Armstrong, Roly J.; Unsworth, William P.","Stereoselective synthesis of atropisomeric amides enabled by intramolecular acyl transfer.","Chemical science","2025","16","9","3938","3945","10.1039/d4sc05760k","","x-ray","1.54184","CuKα","","0.0398","0.036","","","0.094","0.0969","","","","","","1.073","","","","has coordinates","298153","2025-03-04","19:28:27",""
"1573766","10.5221","0.0002","12.1599","0.0002","18.0206","0.0003","73.817","0.001","78.768","0.001","78.192","0.001","2144.08","0.07","213","","213","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H24 B10 O -","- C20 H24 B10 O -","- C80 H96 B40 O4 -","4","2","","Wang, Zhen; Yu, Jiahui; Zhang, Jie; Zhang, Dengsong; Qiu, Zaozao; Xie, Zuowei","Palladium-catalyzed intramolecular aerobic oxidative cross-coupling of BH/CH between <i>o</i>-carborane and arenes.","Chemical science","2025","16","8","3705","3712","10.1039/d4sc08496a","","","1.34139","GaKα","","0.0915","0.0728","","","0.1996","0.2188","","","","","","1.091","","","","has coordinates","298105","2025-03-04","19:07:09",""
"1573767","10.8412","0.0003","19.4475","0.0006","23.3896","0.0007","75.392","0.002","80.868","0.002","87.318","0.002","4711.3","0.2","213","","213","","","","","","","","","3","P -1","-P 1","2","","","","- C26 H24 B10 -","- C26 H24 B10 -","- C208 H192 B80 -","8","4","","Wang, Zhen; Yu, Jiahui; Zhang, Jie; Zhang, Dengsong; Qiu, Zaozao; Xie, Zuowei","Palladium-catalyzed intramolecular aerobic oxidative cross-coupling of BH/CH between <i>o</i>-carborane and arenes.","Chemical science","2025","16","8","3705","3712","10.1039/d4sc08496a","","","1.34139","GaKα","","0.0822","0.0589","","","0.1545","0.1709","","","","","","1.03","","","","has coordinates","298105","2025-03-04","19:07:09",""
"1573768","9.9506","0.0003","13.287","0.0004","12.6971","0.0004","90","","101.393","0.001","90","","1645.65","0.09","296","","296","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 B10 -","- C14 H18 B10 -","- C56 H72 B40 -","4","1","","Wang, Zhen; Yu, Jiahui; Zhang, Jie; Zhang, Dengsong; Qiu, Zaozao; Xie, Zuowei","Palladium-catalyzed intramolecular aerobic oxidative cross-coupling of BH/CH between <i>o</i>-carborane and arenes.","Chemical science","2025","16","8","3705","3712","10.1039/d4sc08496a","","","1.34139","GaKα","","0.0736","0.0621","","","0.1748","0.1837","","","","","","1.086","","","","has coordinates","298105","2025-03-04","19:07:09",""
"1573769","7.1385","0.0006","22.1234","0.0014","10.2306","0.0007","90","","95.391","0.005","90","","1608.6","0.2","221.42","","221.42","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H18 B10 O -","- C13 H18 B10 O -","- C52 H72 B40 O4 -","4","1","","Wang, Zhen; Yu, Jiahui; Zhang, Jie; Zhang, Dengsong; Qiu, Zaozao; Xie, Zuowei","Palladium-catalyzed intramolecular aerobic oxidative cross-coupling of BH/CH between <i>o</i>-carborane and arenes.","Chemical science","2025","16","8","3705","3712","10.1039/d4sc08496a","","","1.34139","GaKα","","0.1245","0.0977","","","0.25","0.278","","","","","","1.069","","","","has coordinates","298105","2025-03-04","19:07:09",""
"1573770","11.0634","0.0002","14.0548","0.0002","20.6273","0.0003","90","","92.773","0.001","90","","3203.66","0.09","170","","170","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 B10 -","- C14 H18 B10 -","- C112 H144 B80 -","8","2","","Wang, Zhen; Yu, Jiahui; Zhang, Jie; Zhang, Dengsong; Qiu, Zaozao; Xie, Zuowei","Palladium-catalyzed intramolecular aerobic oxidative cross-coupling of BH/CH between <i>o</i>-carborane and arenes.","Chemical science","2025","16","8","3705","3712","10.1039/d4sc08496a","","","1.34139","GaKα","","0.0514","0.0407","","","0.1099","0.1151","","","","","","1.041","","","","has coordinates","298105","2025-03-04","19:07:09",""
"1573771","24.0114","0.0005","8.3879","0.0002","19.3844","0.0004","90","","99.3","0.001","90","","3852.8","0.15","170","","170","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C19 H20 B10 -","- C19 H20 B10 -","- C152 H160 B80 -","8","1","","Wang, Zhen; Yu, Jiahui; Zhang, Jie; Zhang, Dengsong; Qiu, Zaozao; Xie, Zuowei","Palladium-catalyzed intramolecular aerobic oxidative cross-coupling of BH/CH between <i>o</i>-carborane and arenes.","Chemical science","2025","16","8","3705","3712","10.1039/d4sc08496a","","","1.34139","GaKα","","0.0759","0.0494","","","0.118","0.1336","","","","","","1.039","","","","has coordinates","298105","2025-03-04","19:07:09",""
"1573772","10.7343","0.0002","15.469","0.0003","13.0999","0.0002","90","","94.563","0.001","90","","2168.33","0.07","213","","213","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H28 B10 Si -","- C18 H28 B10 Si -","- C72 H112 B40 Si4 -","4","1","","Wang, Zhen; Yu, Jiahui; Zhang, Jie; Zhang, Dengsong; Qiu, Zaozao; Xie, Zuowei","Palladium-catalyzed intramolecular aerobic oxidative cross-coupling of BH/CH between <i>o</i>-carborane and arenes.","Chemical science","2025","16","8","3705","3712","10.1039/d4sc08496a","","","1.34139","GaKα","","0.0517","0.0409","","","0.1068","0.1134","","","","","","1.047","","","","has coordinates","298105","2025-03-04","19:07:09",""
"1573773","17.6926","0.0003","7.5803","0.0001","31.0434","0.0005","90","","90","","90","","4163.39","0.11","226","","226","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C21 H24 B10 -","- C21 H24 B10 -","- C168 H192 B80 -","8","1","","Wang, Zhen; Yu, Jiahui; Zhang, Jie; Zhang, Dengsong; Qiu, Zaozao; Xie, Zuowei","Palladium-catalyzed intramolecular aerobic oxidative cross-coupling of BH/CH between <i>o</i>-carborane and arenes.","Chemical science","2025","16","8","3705","3712","10.1039/d4sc08496a","","","1.34139","GaKα","","0.0518","0.0414","","","0.1065","0.1137","","","","","","1.051","","","","has coordinates","298105","2025-03-04","19:07:09",""
"1573774","10.1324","0.0001","15.565","0.0002","16.148","0.0002","90","","90","","90","","2546.71","0.05","170","","170","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H28 B10 O -","- C26 H28 B10 O -","- C104 H112 B40 O4 -","4","1","","Wang, Zhen; Yu, Jiahui; Zhang, Jie; Zhang, Dengsong; Qiu, Zaozao; Xie, Zuowei","Palladium-catalyzed intramolecular aerobic oxidative cross-coupling of BH/CH between <i>o</i>-carborane and arenes.","Chemical science","2025","16","8","3705","3712","10.1039/d4sc08496a","","","1.34139","GaKα","","0.0334","0.0312","","","0.0786","0.0801","","","","","","1.057","","","","has coordinates","298105","2025-03-04","19:07:09",""
"1573775","7.4914","0.0001","17.9215","0.0003","16.097","0.0003","90","","90.673","0.001","90","","2160.99","0.06","213","","213","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H20 B10 -","- C22 H20 B10 -","- C88 H80 B40 -","4","2","","Wang, Zhen; Yu, Jiahui; Zhang, Jie; Zhang, Dengsong; Qiu, Zaozao; Xie, Zuowei","Palladium-catalyzed intramolecular aerobic oxidative cross-coupling of BH/CH between <i>o</i>-carborane and arenes.","Chemical science","2025","16","8","3705","3712","10.1039/d4sc08496a","","","1.34139","GaKα","","0.0592","0.0444","","","0.0971","0.1047","","","","","","1.036","","","","has coordinates","298105","2025-03-04","19:07:10",""
"1573776","11.4881","0.0009","13.9932","0.0011","14.0464","0.0012","80.467","0.003","79.395","0.003","71.939","0.003","2095.8","0.3","170","","170","","","","","","","","","3","P -1","-P 1","2","","","","- C22 H20 B10 -","- C22 H20 B10 -","- C88 H80 B40 -","4","2","","Wang, Zhen; Yu, Jiahui; Zhang, Jie; Zhang, Dengsong; Qiu, Zaozao; Xie, Zuowei","Palladium-catalyzed intramolecular aerobic oxidative cross-coupling of BH/CH between <i>o</i>-carborane and arenes.","Chemical science","2025","16","8","3705","3712","10.1039/d4sc08496a","","","1.34139","GaKα","","0.095","0.0665","","","0.1787","0.2006","","","","","","1.033","","","","has coordinates","298105","2025-03-04","19:07:10",""
"1573777","15.0683","0.0008","18.877","0.0009","18.5211","0.001","90","","90.849","0.004","90","","5267.6","0.5","225","","225","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 B10 O -","- C28 H28 B10 O -","- C224 H224 B80 O8 -","8","2","","Wang, Zhen; Yu, Jiahui; Zhang, Jie; Zhang, Dengsong; Qiu, Zaozao; Xie, Zuowei","Palladium-catalyzed intramolecular aerobic oxidative cross-coupling of BH/CH between <i>o</i>-carborane and arenes.","Chemical science","2025","16","8","3705","3712","10.1039/d4sc08496a","","","1.34139","GaKα","","0.1665","0.1093","","","0.2944","0.344","","","","","","1.08","","","","has coordinates","298105","2025-03-04","19:07:10",""
"1573779","15.8746","0.0012","19.1113","0.0014","17.1888","0.0014","90","","97.354","0.003","90","","5171.9","0.7","297","","297","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C64 H60 O2 -","- C64 H60 O2 -","- C256 H240 O8 -","4","0.5","","Xu, Xiang; Ma, Hao-Ran; Cui, Jian-Fang; Peng, Xiao-Shui; Wong, Henry N. C.","Regioselective late-stage functionalization of tetraphenylenes: rapid construction of double helical architectures and potential hole transport materials.","Chemical science","2025","16","10","4342","4351","10.1039/d4sc07803a","","","0.71073","MoKα","","0.1208","0.0668","","","0.1452","0.1765","","","","","","1.02","","","","has coordinates","298790","2025-04-05","02:20:12",""
"1573780","6.0084","0.0001","9.2515","0.0002","15.0308","0.0003","102.542","0.001","99.903","0.001","102.191","0.001","776.13","0.03","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H18 N2 O2 S -","- C17 H18 N2 O2 S -","- C34 H36 N4 O4 S2 -","2","1","","Erchinger, Johannes E.; Lenz, Madina; Mukherjee, Poulami; Li, Yan-Bo; Suresh, Adhya; Daniliuc, Constantin G.; Gutierrez, Osvaldo; Glorius, Frank","Mechanistic insights into the regiodivergent insertion of bicyclo[1.1.0]butanes towards carbocycle-tethered N-heteroarenes.","Chemical science","2025","16","9","4006","4013","10.1039/d4sc08637f","","x-ray","1.54178","CuKα","","0.0377","0.0336","","","0.0848","0.0875","","","","","","1.058","","","","has coordinates","298155","2025-03-04","19:28:59",""
"1573781","5.7579","0.0001","16.2633","0.0004","16.7223","0.0004","90","","95.874","0.001","90","","1557.7","0.06","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 N2 O2 S -","- C17 H18 N2 O2 S -","- C68 H72 N8 O8 S4 -","4","1","","Erchinger, Johannes E.; Lenz, Madina; Mukherjee, Poulami; Li, Yan-Bo; Suresh, Adhya; Daniliuc, Constantin G.; Gutierrez, Osvaldo; Glorius, Frank","Mechanistic insights into the regiodivergent insertion of bicyclo[1.1.0]butanes towards carbocycle-tethered N-heteroarenes.","Chemical science","2025","16","9","4006","4013","10.1039/d4sc08637f","","x-ray","1.54178","CuKα","","0.0392","0.0321","","","0.0753","0.0796","","","","","","1.039","","","","has coordinates,has disorder","298155","2025-03-04","19:28:59",""
"1573782","10.758","0.0004","7.7718","0.0003","38.4713","0.0017","90","","90","","90","","3216.5","0.2","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H15 N3 O S2 -","- C17 H15 N3 O S2 -","- C136 H120 N24 O8 S16 -","8","1","","Erchinger, Johannes E.; Lenz, Madina; Mukherjee, Poulami; Li, Yan-Bo; Suresh, Adhya; Daniliuc, Constantin G.; Gutierrez, Osvaldo; Glorius, Frank","Mechanistic insights into the regiodivergent insertion of bicyclo[1.1.0]butanes towards carbocycle-tethered N-heteroarenes.","Chemical science","2025","16","9","4006","4013","10.1039/d4sc08637f","","x-ray","0.71073","MoKα","","0.0506","0.0373","","","0.097","0.1041","","","","","","1.062","","","","has coordinates","298155","2025-03-04","19:28:59",""
"1573783","8.9802","0.0003","15.5193","0.0007","21.2731","0.0008","90","","100.955","0.0012","90","","2910.7","0.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H41 Cl2 N2 P Si -","- C27 H41 Cl2 N2 P Si -","- C108 H164 Cl8 N8 P4 Si4 -","4","1","","Phang, Si Jia Isabel; Zhang, Zheng-Feng; Wu, Chi-Shiun; Wong, Zhen Xuan; Su, Ming-Der; So, Cheuk-Wai","A silicon analogue of a fused bicyclic borirene derivative.","Chemical science","2025","16","10","4512","4518","10.1039/d4sc05867d","","x-ray","0.71073","MoKα","","0.0824","0.0457","","","0.1","0.1149","","","","","","1.026","","","","has coordinates","298793","2025-04-05","02:20:50",""
"1573784","9.951","0.0004","24.2287","0.001","11.914","0.0005","90","","114.187","0.0013","90","","2620.29","0.19","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H80 B2 N4 P2 Si2 -","- C54 H80 B2 N4 P2 Si2 -","- C108 H160 B4 N8 P4 Si4 -","2","0.5","","Phang, Si Jia Isabel; Zhang, Zheng-Feng; Wu, Chi-Shiun; Wong, Zhen Xuan; Su, Ming-Der; So, Cheuk-Wai","A silicon analogue of a fused bicyclic borirene derivative.","Chemical science","2025","16","10","4512","4518","10.1039/d4sc05867d","","x-ray","0.71073","MoKα","","0.1254","0.0616","","","0.1079","0.1368","","","","","","1.02","","","","has coordinates","298793","2025-04-05","02:20:50",""
"1573785","15.8487","0.0006","10.8456","0.0004","16.0281","0.0005","90","","90","","90","","2755.05","0.17","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C27 H40 Cl N2 P Si -","- C27 H40 Cl N2 P Si -","- C108 H160 Cl4 N8 P4 Si4 -","4","1","","Phang, Si Jia Isabel; Zhang, Zheng-Feng; Wu, Chi-Shiun; Wong, Zhen Xuan; Su, Ming-Der; So, Cheuk-Wai","A silicon analogue of a fused bicyclic borirene derivative.","Chemical science","2025","16","10","4512","4518","10.1039/d4sc05867d","","x-ray","0.71073","MoKα","","0.1263","0.0606","","","0.1204","0.1451","","","","","","1.028","","","","has coordinates","298793","2025-04-05","02:20:50",""
"1573786","10.922","0.002","12.04","0.002","13.307","0.002","105.263","0.005","106.255","0.005","95.783","0.006","1591.7","0.5","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C61 H88 B2 Cl2.03 I1.97 N4 P2 Si2 -","- C61 H88 B2 Cl2.03 I1.97 N4 P2 Si2 -","- C61 H88 B2 Cl2.03 I1.97 N4 P2 Si2 -","1","0.5","","Phang, Si Jia Isabel; Zhang, Zheng-Feng; Wu, Chi-Shiun; Wong, Zhen Xuan; Su, Ming-Der; So, Cheuk-Wai","A silicon analogue of a fused bicyclic borirene derivative.","Chemical science","2025","16","10","4512","4518","10.1039/d4sc05867d","","x-ray","0.71073","MoKα","","0.1605","0.081","","","0.1677","0.211","","","","","","1.019","","","","has coordinates,has disorder","298793","2025-04-05","02:20:50",""
"1573787","9.1943","0.0008","20.6319","0.0016","17.5682","0.0014","90","","98.264","0.003","90","","3298","0.5","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C27 H40 B Cl I3 N2 P Si -","- C27 H40 B Cl I3 N2 P Si -","- C108 H160 B4 Cl4 I12 N8 P4 Si4 -","4","1","","Phang, Si Jia Isabel; Zhang, Zheng-Feng; Wu, Chi-Shiun; Wong, Zhen Xuan; Su, Ming-Der; So, Cheuk-Wai","A silicon analogue of a fused bicyclic borirene derivative.","Chemical science","2025","16","10","4512","4518","10.1039/d4sc05867d","","x-ray","0.71073","MoKα","","0.0596","0.0477","","","0.1016","0.1068","","","","","","1.188","","","","has coordinates","298793","2025-04-05","02:20:50",""
"1573788","11.1528","0.0002","22.0855","0.0005","27.2759","0.0007","90","","90","","90","","6718.5","0.3","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C31 H48 B Cl3 N2 O P Si -","- C31 H48 B Cl3 N2 O P Si -","- C248 H384 B8 Cl24 N16 O8 P8 Si8 -","8","2","","Phang, Si Jia Isabel; Zhang, Zheng-Feng; Wu, Chi-Shiun; Wong, Zhen Xuan; Su, Ming-Der; So, Cheuk-Wai","A silicon analogue of a fused bicyclic borirene derivative.","Chemical science","2025","16","10","4512","4518","10.1039/d4sc05867d","","x-ray","1.54178","CuKα","","0.0499","0.0402","","","0.0906","0.095","","","","","","1.029","","","","has coordinates,has disorder","298793","2025-04-05","02:20:50",""
"1573801","8.421","0.0017","13.116","0.003","15.113","0.003","90","","90","","90","","1669.2","0.6","293","2","293","2","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- C24 H20 -","- C24 H20 -","- C96 H80 -","4","1","","Martinez-Fernandez, L; Wu, Peicong; Bao, Lin-Tao; Wang, Xueli; Zhang, Rui-Hua; Wang, Wei; Yang, Hai-Bo; Chen, Jinquan; Improta, R.","On the nature of the triplet electronic states of naphthalene dimers.","Chemical science","2025","16","10","4469","4479","10.1039/d4sc07982e","","","0.71073","MoKα","","0.0589","0.0573","","","0.1521","0.1544","","","","","","1.077","","","","has coordinates","298792","2025-04-05","02:20:36",""
"1573802","8.4113","0.0002","11.9596","0.0002","8.1538","0.0002","90","","105.735","0.003","90","","789.5","0.03","292.63","0.1","292.63","0.1","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 -","- C24 H20 -","- C48 H40 -","2","0.5","","Martinez-Fernandez, L; Wu, Peicong; Bao, Lin-Tao; Wang, Xueli; Zhang, Rui-Hua; Wang, Wei; Yang, Hai-Bo; Chen, Jinquan; Improta, R.","On the nature of the triplet electronic states of naphthalene dimers.","Chemical science","2025","16","10","4469","4479","10.1039/d4sc07982e","","x-ray","1.54184","CuKα","","0.0429","0.0388","","","0.0966","0.0988","","","","","","1.059","","","","has coordinates","298792","2025-04-05","02:20:36",""
"1573803","8.4807","0.0003","8.4592","0.0003","11.4471","0.0004","90","","96.815","0.003","90","","815.41","0.05","173","0.1","173","0.1","","","","","","","","2","P 1 21 1","P 2yb","4","","","","- C24 H20 -","- C24 H20 -","- C48 H40 -","2","1","","Martinez-Fernandez, L; Wu, Peicong; Bao, Lin-Tao; Wang, Xueli; Zhang, Rui-Hua; Wang, Wei; Yang, Hai-Bo; Chen, Jinquan; Improta, R.","On the nature of the triplet electronic states of naphthalene dimers.","Chemical science","2025","16","10","4469","4479","10.1039/d4sc07982e","","x-ray","1.54184","CuKα","","0.1073","0.1071","","","0.2984","0.2985","","","","","","1.123","","","","has coordinates","298792","2025-04-05","02:20:36",""
"1573804","8.9248","0.0003","8.9248","0.0003","20.831","0.002","90","","90","","90","","1659.23","0.18","293","1","293","1","","","","","","","","2","P 43 21 2","P 4nw 2abw","96","","","","- C24 H20 -","- C24 H20 -","- C96 H80 -","4","0.5","","Martinez-Fernandez, L; Wu, Peicong; Bao, Lin-Tao; Wang, Xueli; Zhang, Rui-Hua; Wang, Wei; Yang, Hai-Bo; Chen, Jinquan; Improta, R.","On the nature of the triplet electronic states of naphthalene dimers.","Chemical science","2025","16","10","4469","4479","10.1039/d4sc07982e","","x-ray","1.54178","CuKα","","0.0739","0.0547","","","0.1646","0.1878","","","","","","1.076","","","","has coordinates,has disorder","298792","2025-04-05","02:20:36",""
"1573805","15.7313","0.0006","13.606","0.0005","24.1199","0.001","90","","108.505","0.001","90","","4895.7","0.3","170","","170","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H20 Br N3 O3 -","- C30 H20 Br N3 O3 -","- C240 H160 Br8 N24 O24 -","8","2","","Luo, Wenjun; Zheng, Xinghua; Lin, Hehua; Fu, Li; Long, Lipeng; Yu, Daohong; Chen, Zhengwang; Yang, Min; Wang, Zhong-Xia","Discovery of intermolecular cascade annulation for dihydrobenzo[<i>b</i>][1,8]naphthyridine-ylidene-pyrrolidinetriones.","Chemical science","2025","16","9","4119","4126","10.1039/d4sc07999j","","","1.34139","GaKα","","0.0445","0.0366","","","0.0896","0.0943","","","","","","1.069","","","","has coordinates","298150","2025-03-04","19:27:38",""
"1573806","13.3952","0.0016","7.8096","0.0009","30.55","0.004","90","","95.775","0.004","90","","3179.7","0.7","173","2","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C69.07 H62 Cl6 O4 P2 S2 -","- C67.98 H71.94 Cl6 O4 P2 S2 -","- C135.96 H143.88 Cl12 O8 P4 S4 -","2","0.5","","Dadgaryeganeh, Reza; LeBlanc, Jesse; Pradhan, Ekadashi; Miao, Dandan; Hussein, Amaar; Hunter, Howard N.; Zeng, Tao; Romero-Nieto, Carlos; Baumgartner, Thomas","From flat to twisted - multifunctional phosphacyclic nanocarbons based on Vat Orange 3.","Chemical science","2025","16","8","3680","3692","10.1039/d4sc07106a","","","0.71073","MoKα","","0.1722","0.0997","","","0.1631","0.1927","","","","","","1.065","","","","has coordinates,has disorder","298108","2025-03-04","19:08:34",""
"1573807","8.2286","0.0003","11.7231","0.0004","17.5716","0.0006","92.692","0.001","93.084","0.001","108.449","0.001","1601.93","0.1","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C72 H76 Cl6 O4 P2 -","- C72 H76 Cl6 O4 P2 -","- C72 H76 Cl6 O4 P2 -","1","0.5","","Dadgaryeganeh, Reza; LeBlanc, Jesse; Pradhan, Ekadashi; Miao, Dandan; Hussein, Amaar; Hunter, Howard N.; Zeng, Tao; Romero-Nieto, Carlos; Baumgartner, Thomas","From flat to twisted - multifunctional phosphacyclic nanocarbons based on Vat Orange 3.","Chemical science","2025","16","8","3680","3692","10.1039/d4sc07106a","","","0.71073","MoKα","","0.0594","0.0436","","","0.0961","0.1061","","","","","","1.025","","","","has coordinates,has disorder","298108","2025-03-04","19:08:35",""
"1573808","22.2953","0.001","32.7948","0.001","8.1542","0.0003","90","","101.91","0.002","90","","5833.8","0.4","173","2","173","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C70 H80.01 O7 P2 -","- C70 H80.0066 O7 P2 -","- C280 H320.026 O28 P8 -","4","0.5","","Dadgaryeganeh, Reza; LeBlanc, Jesse; Pradhan, Ekadashi; Miao, Dandan; Hussein, Amaar; Hunter, Howard N.; Zeng, Tao; Romero-Nieto, Carlos; Baumgartner, Thomas","From flat to twisted - multifunctional phosphacyclic nanocarbons based on Vat Orange 3.","Chemical science","2025","16","8","3680","3692","10.1039/d4sc07106a","","","0.71073","MoKα","","0.1064","0.089","","","0.1585","0.1653","","","","","","1.228","","","","has coordinates,has disorder","298108","2025-03-04","19:08:35",""
"1573809","18.8221","0.0006","34.2599","0.0011","8.6524","0.0003","90","","90","","90","","5579.4","0.3","173","2","173","","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C35 H37 O2 P -","- C35 H37 O2 P -","- C280 H296 O16 P8 -","8","1","","Dadgaryeganeh, Reza; LeBlanc, Jesse; Pradhan, Ekadashi; Miao, Dandan; Hussein, Amaar; Hunter, Howard N.; Zeng, Tao; Romero-Nieto, Carlos; Baumgartner, Thomas","From flat to twisted - multifunctional phosphacyclic nanocarbons based on Vat Orange 3.","Chemical science","2025","16","8","3680","3692","10.1039/d4sc07106a","","","0.71073","MoKα","","0.1379","0.1185","","","0.2102","0.2181","","","","","","1.26","","","","has coordinates","298108","2025-03-04","19:08:35",""
"1573810","58.8812","0.0019","8.3047","0.0003","34.7288","0.0011","90","","97.344","0.001","90","","16842.7","1","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C70 H71.53 O4 P2 -","- C70 H71.5333 O4 P2 -","- C840 H858.4 O48 P24 -","12","1.5","","Dadgaryeganeh, Reza; LeBlanc, Jesse; Pradhan, Ekadashi; Miao, Dandan; Hussein, Amaar; Hunter, Howard N.; Zeng, Tao; Romero-Nieto, Carlos; Baumgartner, Thomas","From flat to twisted - multifunctional phosphacyclic nanocarbons based on Vat Orange 3.","Chemical science","2025","16","8","3680","3692","10.1039/d4sc07106a","","","0.71073","MoKα","","0.0915","0.0774","","","0.1799","0.1883","","","","","","1.136","","","","has coordinates,has disorder","298108","2025-03-04","19:08:35",""
"1573816","16.1964","0.0008","18.6192","0.0011","18.8234","0.0011","83.984","0.005","80.702","0.004","73.139","0.005","5351","0.5","123","","123","","","","","","","","","6","P -1","-P 1","2","","","","- C109 H108 Cl2 N8 Pd6 Si2 -","- C109 H108 Cl2 N8 Pd6 Si2 -","- C218 H216 Cl4 N16 Pd12 Si4 -","2","1","","Mitomo, Taiga; Wada, Yoshimasa; Suda, Tetsuro; Tamura, Atsushi; Yagi, Shunsuke; Kikkawa, Soichi; Yamazoe, Seiji; Sunada, Yusuke","A coordination polymer with a silylene-supported Pd<sub>6</sub> core as an efficient heterogeneous hydrogenation catalyst.","Chemical science","2025","16","10","4450","4455","10.1039/d4sc05663a","","","0.71073","MoKα","","0.274","0.0869","","","0.1433","0.2086","","","","","","0.942","","","","has coordinates","298794","2025-04-05","02:20:59",""
"1573833","11.9665","0.0015","10.5773","0.0013","19.8113","0.0019","90","","100.165","0.008","90","","2468.2","0.5","300","","300","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H33 F6 N2 O6 P -","- C18 H33 F6 N2 O6 P -","- C72 H132 F24 N8 O24 P4 -","4","1","","Zhu, Ming; Huang, Pei-Zhi; Li, Lin-Mei; Yang, Yi-Xuan; Pan, Lei; Wang, Zhi-Jie; Ni, Hao-Fei; Zhang, Feng-Wen; Teri, Gele; Zhang, Zhi-Xu; Liu, Zunqi; Fu, Da-Wei; Zhang, Yi","Thermal-responsive luminescence/dielectric responses with reversibly shifted light emissions.","Chemical science","2025","16","9","4101","4108","10.1039/d4sc06631f","","","1.54184","CuKα","","0.1641","0.1246","","","0.2377","0.2549","","","","","","0.999","","","","has coordinates","298154","2025-03-04","19:28:47",""
"1573834","7.8459","0.0016","9.828","0.002","10.5087","0.0015","90","","92.439","0.011","90","","809.6","0.3","303","","303","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H18 F6 N4 P -","- C12 H18 F6 N4 P -","- C24 H36 F12 N8 P2 -","2","0.5","","Zhu, Ming; Huang, Pei-Zhi; Li, Lin-Mei; Yang, Yi-Xuan; Pan, Lei; Wang, Zhi-Jie; Ni, Hao-Fei; Zhang, Feng-Wen; Teri, Gele; Zhang, Zhi-Xu; Liu, Zunqi; Fu, Da-Wei; Zhang, Yi","Thermal-responsive luminescence/dielectric responses with reversibly shifted light emissions.","Chemical science","2025","16","9","4101","4108","10.1039/d4sc06631f","","","1.54184","CuKα","","0.1085","0.0805","","","0.2289","0.2562","","","","","","1.125","","","","has coordinates","298154","2025-03-04","19:28:48",""
"1573835","12.022","0.0015","10.629","0.002","19.921","0.004","90","","100.318","0.013","90","","2504.4","0.8","343","","343","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H33 F6 N2 O6 P -","- C18 H33 F6 N2 O6 P -","- C72 H132 F24 N8 O24 P4 -","4","1","","Zhu, Ming; Huang, Pei-Zhi; Li, Lin-Mei; Yang, Yi-Xuan; Pan, Lei; Wang, Zhi-Jie; Ni, Hao-Fei; Zhang, Feng-Wen; Teri, Gele; Zhang, Zhi-Xu; Liu, Zunqi; Fu, Da-Wei; Zhang, Yi","Thermal-responsive luminescence/dielectric responses with reversibly shifted light emissions.","Chemical science","2025","16","9","4101","4108","10.1039/d4sc06631f","","","1.54184","CuKα","","0.2332","0.1255","","","0.2452","0.2979","","","","","","1.043","","","","has coordinates","298154","2025-03-04","19:28:48",""
"1573836","11.994","0.005","10.463","0.003","19.815","0.009","90","","100.89","0.02","90","","2441.9","1.7","403","","403","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H33 F6 N2 O6 P -","- C18 H33 F6 N2 O6 P -","- C72 H132 F24 N8 O24 P4 -","4","1","","Zhu, Ming; Huang, Pei-Zhi; Li, Lin-Mei; Yang, Yi-Xuan; Pan, Lei; Wang, Zhi-Jie; Ni, Hao-Fei; Zhang, Feng-Wen; Teri, Gele; Zhang, Zhi-Xu; Liu, Zunqi; Fu, Da-Wei; Zhang, Yi","Thermal-responsive luminescence/dielectric responses with reversibly shifted light emissions.","Chemical science","2025","16","9","4101","4108","10.1039/d4sc06631f","","","1.54184","CuKα","","0.2635","0.1381","","","0.2825","0.3326","","","","","","0.998","","","","has coordinates","298154","2025-03-04","19:28:48",""
"1573837","12.137","0.003","10.6827","0.0016","20.015","0.006","90","","100.751","0.015","90","","2549.5","1.1","423","","423","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H33 F6 N2 O6 P -","- C18 H33 F6 N2 O6 P -","- C72 H132 F24 N8 O24 P4 -","4","1","","Zhu, Ming; Huang, Pei-Zhi; Li, Lin-Mei; Yang, Yi-Xuan; Pan, Lei; Wang, Zhi-Jie; Ni, Hao-Fei; Zhang, Feng-Wen; Teri, Gele; Zhang, Zhi-Xu; Liu, Zunqi; Fu, Da-Wei; Zhang, Yi","Thermal-responsive luminescence/dielectric responses with reversibly shifted light emissions.","Chemical science","2025","16","9","4101","4108","10.1039/d4sc06631f","","","1.54184","CuKα","","0.297","0.1446","","","0.3005","0.3477","","","","","","1.173","","","","has coordinates","298154","2025-03-04","19:28:48",""
"1573838","11.985","0.005","10.522","0.003","19.813","0.007","90","","100.634","0.018","90","","2455.6","1.5","383","","383","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H33 F6 N2 O6 P -","- C18 H33 F6 N2 O6 P -","- C72 H132 F24 N8 O24 P4 -","4","1","","Zhu, Ming; Huang, Pei-Zhi; Li, Lin-Mei; Yang, Yi-Xuan; Pan, Lei; Wang, Zhi-Jie; Ni, Hao-Fei; Zhang, Feng-Wen; Teri, Gele; Zhang, Zhi-Xu; Liu, Zunqi; Fu, Da-Wei; Zhang, Yi","Thermal-responsive luminescence/dielectric responses with reversibly shifted light emissions.","Chemical science","2025","16","9","4101","4108","10.1039/d4sc06631f","","","1.54184","CuKα","","0.1736","0.1179","","","0.2357","0.2606","","","","","","0.986","","","","has coordinates","298154","2025-03-04","19:28:48",""
"1573839","13.6682","0.00008","13.6682","0.00008","13.6682","0.00008","90","","90","","90","","2553.49","0.03","100","0.1","100","0.1","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","NU-2500","","- C27 H9 O18 Th2 -","- C27 H9 O18 Th2 -","- C108 H36 O72 Th8 -","4","0.0208333","","Gaidimas, Madeleine A.; Smoljan, Courtney S.; Ye, Zi-Ming; Stern, Charlotte L.; Malliakas, Christos D.; Kirlikovali, Kent O.; Farha, Omar K.","Thorium metal-organic framework crystallization for efficient recovery from rare earth element mixtures.","Chemical science","2025","16","9","3895","3903","10.1039/d4sc07652d","","x-ray","1.54184","CuKα","","0.0399","0.0394","","","0.0965","0.0971","","","","","","1.175","","","","has coordinates,has disorder","298149","2025-03-04","19:27:27",""
"1573840","14.617","0.0009","30.092","0.012","3.6052","0.0003","90","","90","","90","","1585.8","0.7","273.15","","273.15","","","","","","","","","3","F d d 2","F 2 -2d","43","Furil, phase I","Di(furan-2-yl)ethanedione","","- C10 H6 O4 -","- C10 H6 O4 -","- C80 H48 O32 -","8","0.5","","Dunning, Samuel G.; Hari, Anirudh; Zhu, Li; Chen, Bo; Cody, George D.; Romi, Sebastiano; Zhang, Dongzhou; Strobel, Timothy A.","Double-core nanothread formation from α-furil <i>via</i> a pressure-induced planarization pathway.","Chemical science","2025","16","9","4144","4151","10.1039/d4sc07412b","","","0.434","Synchrotron","","0.2018","0.1158","","","0.2565","0.2823","","","","","","1.365","","","","has coordinates","298147","2025-03-04","19:27:04",""
"1573841","14.586","0.005","7.0535","0.0014","3.4512","0.0006","90","","93.132","0.015","90","","354.54","0.15","273.15","","273.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Furil, phase II","Di(furan-2-yl)ethanedione","","- C10 H6 O4 -","- C10 H6 O4 -","- C20 H12 O8 -","2","0.5","","Dunning, Samuel G.; Hari, Anirudh; Zhu, Li; Chen, Bo; Cody, George D.; Romi, Sebastiano; Zhang, Dongzhou; Strobel, Timothy A.","Double-core nanothread formation from α-furil <i>via</i> a pressure-induced planarization pathway.","Chemical science","2025","16","9","4144","4151","10.1039/d4sc07412b","","","0.434","Synchrotron","","0.2663","0.155","","","0.3424","0.388","","","","","","1.13","","","","has coordinates","298147","2025-03-04","19:27:05",""
"1573842","3.313","0.003","6.957","0.007","14.228","0.016","90","","94.48","0.03","90","","326.9","0.6","273","2","273.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Furil, phase II","Di(furan-2-yl)ethanedione","","- C10 H6 O4 -","- C10 H6 O4 -","- C20 H12 O8 -","2","0.5","","Dunning, Samuel G.; Hari, Anirudh; Zhu, Li; Chen, Bo; Cody, George D.; Romi, Sebastiano; Zhang, Dongzhou; Strobel, Timothy A.","Double-core nanothread formation from α-furil <i>via</i> a pressure-induced planarization pathway.","Chemical science","2025","16","9","4144","4151","10.1039/d4sc07412b","","","0.434","synchrotron","","0.5162","0.4104","","","0.6897","0.7248","","","","","","2.297","","","","has coordinates","301209","2025-07-10","11:18:53",""
"1573843","9.2209","0.0007","8.3046","0.0006","19.3943","0.0015","90","","90","","90","","1485.14","0.19","296","","296","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Hg3 N2 O16 Te4 -","- Hg3 N2 O16 Te4 -","- Hg12 N8 O64 Te16 -","4","0.5","","Tang, Ru-Ling; Lv, Yi-Lei; Ma, Liang; Miao, Bing-Wei; Liu, Wenlong; Guo, Sheng-Ping","""All-four-in-one"": a novel mercury tellurite-nitrate Hg<sub>3</sub>(TeO<sub>3</sub>)(Te<sub>3</sub>O<sub>7</sub>)(NO<sub>3</sub>)<sub>2</sub> exhibiting exceptional optical anisotropy.","Chemical science","2025","16","11","4749","4754","10.1039/d4sc08166h","","","0.71073","MoKα","","0.0413","0.0318","","","0.0561","0.0586","","","","","","1.12","","","","has coordinates,has disorder","298813","2025-04-05","02:26:03",""
"1573844","7.2202","0.0005","13.9741","0.0008","9.0021","0.0006","90","","111.683","0.002","90","","844.01","0.1","173","","173","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H20 O7 -","- C18 H20 O7 -","- C36 H40 O14 -","2","1","","Paciorek, Jan; Steinborn, Christian; Gordiy, Igor; Plangger, Immanuel; Schmutzler, Dirk; Barber, David M.; Wurst, Klaus; Riniker, Sereina; Magauer, Thomas","Asymmetric total synthesis of glauconic and glaucanic acid.","Chemical science","2025","16","9","4159","4166","10.1039/d4sc08332f","","","0.71073","MoKα","","0.0274","0.0255","","","0.0657","0.0669","","","","","","1.044","","","","has coordinates","298146","2025-03-04","19:26:55",""
"1573846","12.3872","0.0019","15.6834","0.0019","16.433","0.003","90.934","0.007","111.881","0.007","110.488","0.005","2735.3","0.8","180","","180","","","","","","","","","5","P -1","-P 1","2","","","","- C57 H68 Br Cu N4 -","- C57 H68 Br Cu N4 -","- C114 H136 Br2 Cu2 N8 -","2","1","","Zhou, Jiajing; Zhang, Zhiqiang; Cao, Yan; Xie, Weilong","Multiligand-enabled, copper-catalyzed Hiyama coupling of arylsilanes with unactivated secondary alkyl halides: reaction development and mechanistic insights.","Chemical science","2025","16","12","5109","5117","10.1039/d4sc07441f","","","0.71073","MoKα","","0.083","0.0713","","","0.2151","0.2258","","","","","","1.115","","","","has coordinates,has disorder","298823","2025-04-05","02:29:38",""
"1573847","6.81856","0.00004","18.79523","0.00011","32.85532","0.00019","90","","90","","90","","4210.62","0.04","150","0.1","150","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H21 B3 N2 O3 -","- C23 H21 B3 N2 O3 -","- C184 H168 B24 N16 O24 -","8","1","","Procter, Richard J.; Alamillo-Ferrer, Carla; Shabbir, Usman; Britton, Phyllida; Bučar, Dejan-Krešimir; Dumon, Alexandre S.; Rzepa, Henry S.; Burés, Jordi; Whiting, Andrew; Sheppard, Tom D.","Borate-catalysed direct amidation reactions of coordinating substrates.","Chemical science","2025","16","11","4718","4724","10.1039/d4sc07744j","","x-ray","1.54184","CuKα","","0.0333","0.0306","","","0.0804","0.0824","","","","","","1.036","","","","has coordinates","298811","2025-04-05","02:25:49",""
"1573849","7.2257","0.0004","13.4248","0.0008","24.382","0.0014","90","","90","","90","","2365.1","0.2","303","","303","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C10 H11 N3 O3 S -","- C10 H11 N3 O3 S -","- C80 H88 N24 O24 S8 -","8","1","","Lu, Jiachen; Ok, Kang Min","Synergistic engineering of ultraviolet metal-free crystals with exceptional birefringence <i>via</i> pyridine-derived dimers.","Chemical science","2025","16","11","4703","4709","10.1039/d5sc00112a","","","0.71073","MoKα","","0.1243","0.0779","","","0.1284","0.1474","","","","","","1.209","","","","has coordinates","298806","2025-04-05","02:24:25",""
"1573850","17.5972","0.0005","7.0455","0.0002","12.8268","0.0003","90","","90.881","0.001","90","","1590.09","0.07","303","","303","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 N3 O5 S -","- C15 H15 N3 O5 S -","- C60 H60 N12 O20 S4 -","4","1","","Lu, Jiachen; Ok, Kang Min","Synergistic engineering of ultraviolet metal-free crystals with exceptional birefringence <i>via</i> pyridine-derived dimers.","Chemical science","2025","16","11","4703","4709","10.1039/d5sc00112a","","","0.71073","MoKα","","0.0513","0.0404","","","0.09","0.0983","","","","","","1.114","","","","has coordinates","298806","2025-04-05","02:24:25",""
"1573851","26.4049","0.0005","18.7396","0.0002","27.4993","0.0005","90","","118.57","0.003","90","","11950.2","0.5","99.98","0.19","99.98","0.19","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C122 H170 Mg4 N8 P8 -","- C122 H170 Mg4 N8 P8 -","- C488 H680 Mg16 N32 P32 -","4","1","","Thum, Stefan; Townrow, Oliver P. E.; Langer, Jens; Harder, Sjoerd","Tuning the selectivity of P<sub>4</sub> reduction at alkaline-earth metal centres.","Chemical science","2025","16","10","4528","4536","10.1039/d4sc08502g","","x-ray","1.54184","CuKα","","0.058","0.0441","","","0.1072","0.1163","","","","","","1.007","","","","has coordinates,has disorder","298796","2025-04-05","02:21:42",""
"1573852","26.1211","0.0005","21.8425","0.0004","12.8482","0.0003","90","","90","","90","","7330.5","0.3","100","0.2","100","0.2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C74 H114 Mg2 N4 P4 -","- C74 H114 Mg2 N4 P4 -","- C296 H456 Mg8 N16 P16 -","4","0.5","","Thum, Stefan; Townrow, Oliver P. E.; Langer, Jens; Harder, Sjoerd","Tuning the selectivity of P<sub>4</sub> reduction at alkaline-earth metal centres.","Chemical science","2025","16","10","4528","4536","10.1039/d4sc08502g","","x-ray","1.54184","CuKα","","0.0881","0.0756","","","0.2342","0.2547","","","","","","1.06","","","","has coordinates,has disorder","298796","2025-04-05","02:21:43",""
"1573853","13.4588","0.0002","23.0603","0.0003","15.7858","0.0002","90","","111.861","0.0018","90","","4547.04","0.12","99.98","0.12","99.98","0.12","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C90 H154 Ca2 N4 O4 P4 -","- C90 H154 Ca2 N4 O4 P4 -","- C180 H308 Ca4 N8 O8 P8 -","2","0.5","","Thum, Stefan; Townrow, Oliver P. E.; Langer, Jens; Harder, Sjoerd","Tuning the selectivity of P<sub>4</sub> reduction at alkaline-earth metal centres.","Chemical science","2025","16","10","4528","4536","10.1039/d4sc08502g","","x-ray","1.54184","CuKα","","0.0622","0.0584","","","0.1529","0.1569","","","","","","1.067","","","","has coordinates,has disorder","298796","2025-04-05","02:21:43",""
"1573854","12.7375","0.0002","16.5295","0.0003","21.8122","0.0003","106.025","0.002","90.612","0.001","98.438","0.002","4359.87","0.13","99.97","0.16","99.97","0.16","","","","","","","","5","P -1","-P 1","2","","","","- C97 H146 B2 Ca2 N4 -","- C97 H146 B2 Ca2 N4 -","- C194 H292 B4 Ca4 N8 -","2","1","","Thum, Stefan; Townrow, Oliver P. E.; Langer, Jens; Harder, Sjoerd","Tuning the selectivity of P<sub>4</sub> reduction at alkaline-earth metal centres.","Chemical science","2025","16","10","4528","4536","10.1039/d4sc08502g","","x-ray","1.54184","CuKα","","0.0555","0.0468","","","0.1191","0.1263","","","","","","1.033","","","","has coordinates,has disorder","298796","2025-04-05","02:21:43",""
"1573855","20.4699","0.0006","20.4809","0.0005","21.4594","0.0005","70.084","0.002","81.755","0.002","64.564","0.003","7638.6","0.4","100","0.2","100","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C131 H211 Ca3 N6 O4 P7 -","- C131 H211 Ca3 N6 O4 P7 -","- C262 H422 Ca6 N12 O8 P14 -","2","1","","Thum, Stefan; Townrow, Oliver P. E.; Langer, Jens; Harder, Sjoerd","Tuning the selectivity of P<sub>4</sub> reduction at alkaline-earth metal centres.","Chemical science","2025","16","10","4528","4536","10.1039/d4sc08502g","","x-ray","1.54184","CuKα","","0.0424","0.0369","","","0.0955","0.0991","","","","","","1.052","","","","has coordinates,has disorder","298796","2025-04-05","02:21:43",""
"1573868","8.305","0.0015","8.8068","0.0017","19.111","0.004","97.232","0.007","96.934","0.007","95.16","0.007","1368.7","0.5","291","2","291","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H10 Cl10 N -","- C25 H10 Cl10 N -","- C50 H20 Cl20 N2 -","2","1","","Gao, Shengxiang; Wu, Chunxiao; Zhang, Ming; Li, Feng","Stable luminescent diphenylamine biphenylmethyl radicals with α-type D<sub>0</sub> → D<sub>1</sub> transition and antiferromagnetic properties.","Chemical science","2025","16","11","4668","4675","10.1039/d4sc08026b","","","0.71073","MoKα","","0.0676","0.0521","","","0.1316","0.1431","","","","","","1.137","","","","has coordinates","298808","2025-04-05","02:25:04",""
"1573869","16.4717","0.0016","8.3566","0.0009","17.0028","0.0018","90","","103.423","0.004","90","","2276.5","0.4","125","2","125","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2PhN-BTM","","- C25 H14 Cl6 N -","- C25 H14 Cl6 N -","- C100 H56 Cl24 N4 -","4","1","","Gao, Shengxiang; Wu, Chunxiao; Zhang, Ming; Li, Feng","Stable luminescent diphenylamine biphenylmethyl radicals with α-type D<sub>0</sub> → D<sub>1</sub> transition and antiferromagnetic properties.","Chemical science","2025","16","11","4668","4675","10.1039/d4sc08026b","","","0.71073","MoKα","","0.0283","0.0248","","","0.0577","0.0595","","","","","","1.056","","","","has coordinates","298808","2025-04-05","02:25:04",""
"1573870","16.342","0.003","6.8717","0.0008","10.284","0.003","90","","90","","90","","1154.9","0.4","111","2","111.15","","","","","","","","","4","I m m a","-I 2b 2","74","","","","- C7 H2.4 O6.2 V -","- C7 O5 V -","- C28 O20 V4 -","4","0.25","","Smoljan, Courtney S.; Formalik, Filip; Barsoum, Michael L.; Fahy, Kira M.; Gaidimas, Madeleine A.; Son, Florencia A.; Xie, Haomiao; Idrees, Karam B.; Farha, Omar K.; Snurr, Randall Q.","Exceeding flexpectations: a combined experimental and computational investigation of structural flexibility in 3-dimensional linker-based metal-organic frameworks.","Chemical science","2025","16","11","4831","4841","10.1039/d4sc06360k","","","1.54184","CuKα","","0.1523","0.1448","","","0.3655","0.3719","","","","","","1.594","","","","has coordinates,has disorder","298812","2025-04-05","02:25:56",""
"1573879","8.8358","0.0001","9.0954","0.0002","14.2686","0.0002","94.49","0.001","97.731","0.001","97.231","0.001","1121.94","0.03","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H68 N2 Ni S4 -","- C48 H68 N2 Ni S4 -","- C48 H68 N2 Ni S4 -","1","0.5","","Luff, Martin S.; Filipovic, Tin M.; Corsei, Celine S.; Oppel, Kai; Krummenacher, Ivo; Bertermann, Rüdiger; Finze, Maik; Braunschweig, Holger; Radius, Udo","Azolium-2-dithiocarboxylates as redox active ligands in nickel chemistry.","Chemical science","2025","16","12","5142","5154","10.1039/d4sc08449g","","","1.54184","CuKα","","0.0304","0.0299","","","0.0804","0.0808","","","","","","1.037","","","","has coordinates","298820","2025-04-05","02:28:42",""
"1573880","14.5441","0.0002","6.8348","0.0001","13.3132","0.0002","90","","90","","90","","1323.41","0.03","201","2","201","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C11 H12 Cl2 N2 S2 -","- C11 H12 Cl2 N2 S2 -","- C44 H48 Cl8 N8 S8 -","4","0.5","","Luff, Martin S.; Filipovic, Tin M.; Corsei, Celine S.; Oppel, Kai; Krummenacher, Ivo; Bertermann, Rüdiger; Finze, Maik; Braunschweig, Holger; Radius, Udo","Azolium-2-dithiocarboxylates as redox active ligands in nickel chemistry.","Chemical science","2025","16","12","5142","5154","10.1039/d4sc08449g","","","1.54184","CuKα","","0.0572","0.0564","","","0.1787","0.1798","","","","","","1.165","","","","has coordinates","298820","2025-04-05","02:28:42",""
"1573881","10.3602","0.0001","22.0224","0.0002","13.6369","0.0001","90","","91.721","0.001","90","","3109.94","0.05","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C64 H88 N4 Ni O2 S4 -","- C64 H88 N4 Ni O2 S4 -","- C128 H176 N8 Ni2 O4 S8 -","2","0.5","","Luff, Martin S.; Filipovic, Tin M.; Corsei, Celine S.; Oppel, Kai; Krummenacher, Ivo; Bertermann, Rüdiger; Finze, Maik; Braunschweig, Holger; Radius, Udo","Azolium-2-dithiocarboxylates as redox active ligands in nickel chemistry.","Chemical science","2025","16","12","5142","5154","10.1039/d4sc08449g","","","1.54184","CuKα","","0.0333","0.0304","","","0.0768","0.0785","","","","","","1.072","","","","has coordinates","298820","2025-04-05","02:28:42",""
"1573882","14.4786","0.0001","13.8664","0.0001","19.8298","0.0001","90","","94.856","0.001","90","","3966.86","0.04","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H63 N5 Ni S2 -","- C39 H63 N5 Ni S2 -","- C156 H252 N20 Ni4 S8 -","4","1","","Luff, Martin S.; Filipovic, Tin M.; Corsei, Celine S.; Oppel, Kai; Krummenacher, Ivo; Bertermann, Rüdiger; Finze, Maik; Braunschweig, Holger; Radius, Udo","Azolium-2-dithiocarboxylates as redox active ligands in nickel chemistry.","Chemical science","2025","16","12","5142","5154","10.1039/d4sc08449g","","","1.54184","CuKα","","0.0346","0.0321","","","0.0818","0.0833","","","","","","1.054","","","","has coordinates","298820","2025-04-05","02:28:42",""
"1573883","11.8352","0.0001","8.4874","0.0001","15.0477","0.0002","90","","107.19","0.001","90","","1444.02","0.03","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H18 N2 S2 -","- C14 H18 N2 S2 -","- C56 H72 N8 S8 -","4","1","","Luff, Martin S.; Filipovic, Tin M.; Corsei, Celine S.; Oppel, Kai; Krummenacher, Ivo; Bertermann, Rüdiger; Finze, Maik; Braunschweig, Holger; Radius, Udo","Azolium-2-dithiocarboxylates as redox active ligands in nickel chemistry.","Chemical science","2025","16","12","5142","5154","10.1039/d4sc08449g","","","1.54184","CuKα","","0.0364","0.035","","","0.0943","0.095","","","","","","1.139","","","","has coordinates","298820","2025-04-05","02:28:42",""
"1573884","12.6464","0.0002","14.4357","0.0002","24.9817","0.0003","90","","90","","90","","4560.65","0.11","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C44 H66 N6 Ni O S2 -","- C44 H66 N6 Ni O S2 -","- C176 H264 N24 Ni4 O4 S8 -","4","1","","Luff, Martin S.; Filipovic, Tin M.; Corsei, Celine S.; Oppel, Kai; Krummenacher, Ivo; Bertermann, Rüdiger; Finze, Maik; Braunschweig, Holger; Radius, Udo","Azolium-2-dithiocarboxylates as redox active ligands in nickel chemistry.","Chemical science","2025","16","12","5142","5154","10.1039/d4sc08449g","","","1.54184","CuKα","","0.0351","0.0304","","","0.0723","0.0742","","","","","","1.048","","","","has coordinates","298820","2025-04-05","02:28:42",""
"1573885","16.3996","0.0001","12.5018","0.0001","14.1711","0.0001","90","","101.833","0.001","90","","2843.68","0.04","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C62 H66 N4 Ni S4 -","- C62 H66 N4 Ni S4 -","- C124 H132 N8 Ni2 S8 -","2","0.5","","Luff, Martin S.; Filipovic, Tin M.; Corsei, Celine S.; Oppel, Kai; Krummenacher, Ivo; Bertermann, Rüdiger; Finze, Maik; Braunschweig, Holger; Radius, Udo","Azolium-2-dithiocarboxylates as redox active ligands in nickel chemistry.","Chemical science","2025","16","12","5142","5154","10.1039/d4sc08449g","","","1.54184","CuKα","","0.0295","0.0288","","","0.0764","0.0768","","","","","","1.041","","","","has coordinates","298820","2025-04-05","02:28:42",""
"1573886","12.2463","0.0002","13.0402","0.0002","18.3208","0.0003","84.384","0.001","76.105","0.001","64.184","0.001","2556.58","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H74 N6 Ni S2 -","- C52 H74 N6 Ni S2 -","- C104 H148 N12 Ni2 S4 -","2","1","","Luff, Martin S.; Filipovic, Tin M.; Corsei, Celine S.; Oppel, Kai; Krummenacher, Ivo; Bertermann, Rüdiger; Finze, Maik; Braunschweig, Holger; Radius, Udo","Azolium-2-dithiocarboxylates as redox active ligands in nickel chemistry.","Chemical science","2025","16","12","5142","5154","10.1039/d4sc08449g","","","1.54184","CuKα","","0.0344","0.0328","","","0.0857","0.0867","","","","","","1.085","","","","has coordinates","298820","2025-04-05","02:28:42",""
"1573887","41.9148","0.0002","41.9148","0.0002","19.7374","0.0001","90","","90","","120","","30030","0.3","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C116 H176 N24 Ni4 O S8 -","- C116 H176 N24 Ni4 O S8 -","- C1044 H1584 N216 Ni36 O9 S72 -","9","0.5","","Luff, Martin S.; Filipovic, Tin M.; Corsei, Celine S.; Oppel, Kai; Krummenacher, Ivo; Bertermann, Rüdiger; Finze, Maik; Braunschweig, Holger; Radius, Udo","Azolium-2-dithiocarboxylates as redox active ligands in nickel chemistry.","Chemical science","2025","16","12","5142","5154","10.1039/d4sc08449g","","","1.54184","CuKα","","0.0507","0.049","","","0.1418","0.1432","","","","","","1.038","","","","has coordinates,has disorder","298820","2025-04-05","02:28:42",""
"1573888","12.2516","0.0001","19.8503","0.0001","27.2496","0.0001","90","","90","","90","","6627.05","0.07","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C68 H96 K N4 Ni O3 S4 -","- C68 H96 K N4 Ni O3 S4 -","- C272 H384 K4 N16 Ni4 O12 S16 -","4","1","","Luff, Martin S.; Filipovic, Tin M.; Corsei, Celine S.; Oppel, Kai; Krummenacher, Ivo; Bertermann, Rüdiger; Finze, Maik; Braunschweig, Holger; Radius, Udo","Azolium-2-dithiocarboxylates as redox active ligands in nickel chemistry.","Chemical science","2025","16","12","5142","5154","10.1039/d4sc08449g","","","1.54184","CuKα","","0.0336","0.0327","","","0.0908","0.0914","","","","","","1.088","","","","has coordinates,has disorder","298820","2025-04-05","02:28:42",""
"1573889","11.042","","30.096","0.0001","34.2823","0.0001","90","","96.44","","90","","11320.8","0.05","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C54 H86 K N2 Ni O3 S4 -","- C54 H86 K N2 Ni O3 S4 -","- C432 H688 K8 N16 Ni8 O24 S32 -","8","2","","Luff, Martin S.; Filipovic, Tin M.; Corsei, Celine S.; Oppel, Kai; Krummenacher, Ivo; Bertermann, Rüdiger; Finze, Maik; Braunschweig, Holger; Radius, Udo","Azolium-2-dithiocarboxylates as redox active ligands in nickel chemistry.","Chemical science","2025","16","12","5142","5154","10.1039/d4sc08449g","","","1.54184","CuKα","","0.048","0.0462","","","0.1188","0.1202","","","","","","1.048","","","","has coordinates,has disorder","298820","2025-04-05","02:28:42",""
"1573890","17.1664","0.0007","17.1664","0.0007","15.3325","0.0017","90","","90","","90","","4518.3","0.6","293","","293","","","","","","","","","7","P 4 n c","P 4 -2n","104","","","","- C136 H150 Al8 Dy2 N16 Na2 O67 -","- C136 H150 Al8 Dy2 N16 Na2 O67 -","- C136 H150 Al8 Dy2 N16 Na2 O67 -","1","0.125","","Yan, Han; Calado, Claudia M. S.; Wang, Hao; Murugesu, Muralee; Sun, Wen-Bin","A novel Ln<sup>3+</sup>/Al<sup>3+</sup> metallacrown multifunctional material for latent fingerprint detection, luminescent thermometers and luminescent sensors.","Chemical science","2025","16","11","4821","4830","10.1039/d4sc08549c","","x-ray","0.71073","MoKα","","0.0749","0.0526","","","0.1416","0.1531","","","","","","1.115","","","","has coordinates,has disorder","298810","2025-04-05","02:25:42",""
"1573891","9.4208","0.0003","9.893","0.0003","9.9488","0.0003","87.466","0.002","62.402","0.002","89.609","0.002","820.83","0.05","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H26 F8 N2 O2 -","- C38 H26 F8 N2 O2 -","- C38 H26 F8 N2 O2 -","1","0.5","","Górski, Krzysztof; Shelton, Steve; Lingagouder, Jaijanarthanan; Data, Przemyslaw; Jacquemin, Denis; Gryko, Daniel T.","1,4-Dihydropyrrolo[3,2-<i>b</i>]pyrrole modified with dibenzoxazepine: a highly efficient core for charge-transfer-based OLED emitters.","Chemical science","2025","16","12","5223","5233","10.1039/d4sc04272g","","","1.54178","CuKα","","0.1118","0.0549","","","0.1297","0.1549","","","","","","1.058","","","","has coordinates","298819","2025-04-05","02:28:08",""
"1573902","9.3309","0.0004","12.6622","0.0005","14.2997","0.0006","72.396","0.001","72.255","0.001","82.124","0.002","1531.89","0.11","193","","193","","","","","","","","","4","P -1","-P 1","2","","","","- C56 H72 Au2 N4 -","- C56 H72 Au2 N4 -","- C56 H72 Au2 N4 -","1","0.5","","Cayuela-Castillo, Juan; Fernández-de-Córdova, Francisco J; See, Matthew S.; Fernández, Israel; Ríos, Pablo","Stepwise alkyne insertion in Au(i) acetylides: influence of the nuclearity.","Chemical science","2025","16","11","4684","4694","10.1039/d4sc08227c","","","0.71073","MoKα","","0.0271","0.0211","","","0.045","0.0477","","","","","","1.07","","","","has coordinates","298809","2025-04-05","02:25:33",""
"1573903","10.7024","0.0006","27.593","0.0015","12.0247","0.0006","90","","92.657","0.002","90","","3547.2","0.3","194","","194","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32.5 H42 Au N4 S -","- C32.5 H42 Au N4 S -","- C130 H168 Au4 N16 S4 -","4","1","","Cayuela-Castillo, Juan; Fernández-de-Córdova, Francisco J; See, Matthew S.; Fernández, Israel; Ríos, Pablo","Stepwise alkyne insertion in Au(i) acetylides: influence of the nuclearity.","Chemical science","2025","16","11","4684","4694","10.1039/d4sc08227c","","","0.71073","MoKα","","0.0386","0.032","","","0.0719","0.0748","","","","","","1.193","","","","has coordinates,has disorder","298809","2025-04-05","02:25:33",""
"1573904","12.7986","0.0005","15.2227","0.0005","18.1384","0.0007","90","","101.827","0.001","90","","3458.9","0.2","193","","193","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C72 H108 Au2 N4 O4 -","- C72 H108 Au2 N4 O4 -","- C144 H216 Au4 N8 O8 -","2","0.5","","Cayuela-Castillo, Juan; Fernández-de-Córdova, Francisco J; See, Matthew S.; Fernández, Israel; Ríos, Pablo","Stepwise alkyne insertion in Au(i) acetylides: influence of the nuclearity.","Chemical science","2025","16","11","4684","4694","10.1039/d4sc08227c","","","0.71073","MoKα","","0.0318","0.0232","","","0.0477","0.0517","","","","","","1.063","","","","has coordinates,has disorder","298809","2025-04-05","02:25:33",""
"1573905","9.0241","0.0005","12.0583","0.0007","15.9337","0.0008","80.824","0.002","89.441","0.002","78.132","0.002","1674.58","0.16","193","","193","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H45 Au N2 Si -","- C32 H45 Au N2 Si -","- C64 H90 Au2 N4 Si2 -","2","1","","Cayuela-Castillo, Juan; Fernández-de-Córdova, Francisco J; See, Matthew S.; Fernández, Israel; Ríos, Pablo","Stepwise alkyne insertion in Au(i) acetylides: influence of the nuclearity.","Chemical science","2025","16","11","4684","4694","10.1039/d4sc08227c","","","0.71073","MoKα","","0.0274","0.0208","","","0.0457","0.05","","","","","","1.112","","","","has coordinates,has disorder","298809","2025-04-05","02:25:33",""
"1573906","18.4242","0.0009","13.8027","0.0007","18.9461","0.001","90","","109.094","0.002","90","","4553","0.4","193","","193","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H55 Au N2 O4 -","- C48 H55 Au N2 O4 -","- C192 H220 Au4 N8 O16 -","4","1","","Cayuela-Castillo, Juan; Fernández-de-Córdova, Francisco J; See, Matthew S.; Fernández, Israel; Ríos, Pablo","Stepwise alkyne insertion in Au(i) acetylides: influence of the nuclearity.","Chemical science","2025","16","11","4684","4694","10.1039/d4sc08227c","","","0.71073","MoKα","","0.0558","0.0321","","","0.0602","0.0709","","","","","","1.057","","","","has coordinates","298809","2025-04-05","02:25:33",""
"1573907","13.4415","0.0013","29.354","0.003","36.128","0.004","93.781","0.005","94.261","0.004","100.703","0.004","13922","3","193","","193","","","","","","","","","5","P -1","-P 1","2","","","","- C150 H178 Au4 N8 O4 -","- C150 H178 Au4 N8 O4 -","- C600 H712 Au16 N32 O16 -","4","2","","Cayuela-Castillo, Juan; Fernández-de-Córdova, Francisco J; See, Matthew S.; Fernández, Israel; Ríos, Pablo","Stepwise alkyne insertion in Au(i) acetylides: influence of the nuclearity.","Chemical science","2025","16","11","4684","4694","10.1039/d4sc08227c","","x-ray","0.71073","MoKα","","0.0993","0.0864","","","0.1893","0.196","","","","","","1.141","","","","has coordinates,has disorder","298809","2025-04-05","02:25:33",""
"1573908","12.7366","0.0005","15.5654","0.0006","19.9574","0.0007","90","","92.718","0.002","90","","3952.1","0.3","193","","193","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H51 Au N2 O4 Si -","- C38 H51 Au N2 O4 Si -","- C152 H204 Au4 N8 O16 Si4 -","4","1","","Cayuela-Castillo, Juan; Fernández-de-Córdova, Francisco J; See, Matthew S.; Fernández, Israel; Ríos, Pablo","Stepwise alkyne insertion in Au(i) acetylides: influence of the nuclearity.","Chemical science","2025","16","11","4684","4694","10.1039/d4sc08227c","","","0.71073","MoKα","","0.0339","0.0217","","","0.0462","0.0512","","","","","","1.07","","","","has coordinates","298809","2025-04-05","02:25:33",""
"1573909","36.539","0.002","12.2149","0.0007","29.581","0.0016","90","","90","","90","","13202.6","1.3","193","","193","","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C62 H78 Au2 N4 O4 -","- C62 H78 Au2 N4 O4 -","- C496 H624 Au16 N32 O32 -","8","1","","Cayuela-Castillo, Juan; Fernández-de-Córdova, Francisco J; See, Matthew S.; Fernández, Israel; Ríos, Pablo","Stepwise alkyne insertion in Au(i) acetylides: influence of the nuclearity.","Chemical science","2025","16","11","4684","4694","10.1039/d4sc08227c","","","0.71073","MoKα","","0.0656","0.0542","","","0.106","0.1112","","","","","","1.245","","","","has coordinates","298809","2025-04-05","02:25:33",""
"1573910","16.3416","0.0006","20.8456","0.0008","30.6473","0.0012","90","","100.38","0.002","90","","10269.2","0.7","193","","193","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C84 H108 Au3 F3 N6 O3 S -","- C84 H108 Au3 F3 N6 O3 S -","- C336 H432 Au12 F12 N24 O12 S4 -","4","1","","Cayuela-Castillo, Juan; Fernández-de-Córdova, Francisco J; See, Matthew S.; Fernández, Israel; Ríos, Pablo","Stepwise alkyne insertion in Au(i) acetylides: influence of the nuclearity.","Chemical science","2025","16","11","4684","4694","10.1039/d4sc08227c","","","0.71073","MoKα","","0.0503","0.0312","","","0.0657","0.0768","","","","","","1.067","","","","has coordinates,has disorder","298809","2025-04-05","02:25:33",""
"1573911","15.203","0.003","14.457","0.002","7.3056","0.0014","90","","95.595","0.007","90","","1598","0.5","293.15","","293.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 Cl2 N3 O2 S -","- C15 H13 Cl2 N3 O2 S -","- C60 H52 Cl8 N12 O8 S4 -","4","1","","Datta, Paramita; Maji, Subir; Biswas, Prativa; Jain, Divya; Dey, Partha Protim; Mandal, Swadhin K.","An organophotocatalytic redox-neutral strategy for late-stage drug functionalization with SO<sub>2</sub> gas.","Chemical science","2025","16","12","5064","5075","10.1039/d4sc08380f","","","0.71073","MoKα","","0.0448","0.0421","","","0.117","0.1194","","","","","","1.046","","","","has coordinates","298821","2025-04-05","02:29:20",""
"1573912","9.744","0.003","8.942","0.003","12.444","0.004","90","","99.429","0.011","90","","1069.6","0.6","293.15","","293.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H13 N O2 S -","- C11 H13 N O2 S -","- C44 H52 N4 O8 S4 -","4","1","","Datta, Paramita; Maji, Subir; Biswas, Prativa; Jain, Divya; Dey, Partha Protim; Mandal, Swadhin K.","An organophotocatalytic redox-neutral strategy for late-stage drug functionalization with SO<sub>2</sub> gas.","Chemical science","2025","16","12","5064","5075","10.1039/d4sc08380f","","","0.71073","MoKα","","0.0401","0.0383","","","0.1009","0.1029","","","","","","1.052","","","","has coordinates","298821","2025-04-05","02:29:20",""
"1573913","10.87","0.002","7.36","0.01","24.2055","0.0017","90","","102.98","","90","","1887","3","293.15","","293.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 B N2 O4 S -","- C19 H21 B N2 O4 S -","- C76 H84 B4 N8 O16 S4 -","4","1","","Datta, Paramita; Maji, Subir; Biswas, Prativa; Jain, Divya; Dey, Partha Protim; Mandal, Swadhin K.","An organophotocatalytic redox-neutral strategy for late-stage drug functionalization with SO<sub>2</sub> gas.","Chemical science","2025","16","12","5064","5075","10.1039/d4sc08380f","","","0.71073","MoKα","","0.0779","0.0664","","","0.1704","0.1811","","","","","","1.079","","","","has coordinates","298821","2025-04-05","02:29:20",""
"1573914","6.1887","0.0002","15.3738","0.0006","21.416","0.0009","90","","90","","90","","2037.6","0.13","100","2","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H26 O4 S -","- C24 H26 O4 S -","- C96 H104 O16 S4 -","4","1","","Datta, Paramita; Maji, Subir; Biswas, Prativa; Jain, Divya; Dey, Partha Protim; Mandal, Swadhin K.","An organophotocatalytic redox-neutral strategy for late-stage drug functionalization with SO<sub>2</sub> gas.","Chemical science","2025","16","12","5064","5075","10.1039/d4sc08380f","","","0.71073","MoKα","","0.0287","0.0272","","","0.0678","0.0689","","","","","","1.047","","","","has coordinates","298821","2025-04-05","02:29:20",""
"1573915","8.5144","0.0005","11.3398","0.0008","13.7819","0.0009","91.78","0.002","101.702","0.002","90.986","0.002","1302","0.15","100","2","100","","","","","","","","","4","P -1","-P 1","2","","","","- C14 H12 O5 S -","- C14 H12 O5 S -","- C56 H48 O20 S4 -","4","2","","Datta, Paramita; Maji, Subir; Biswas, Prativa; Jain, Divya; Dey, Partha Protim; Mandal, Swadhin K.","An organophotocatalytic redox-neutral strategy for late-stage drug functionalization with SO<sub>2</sub> gas.","Chemical science","2025","16","12","5064","5075","10.1039/d4sc08380f","","","0.71073","MoKα","","0.0358","0.0339","","","0.0905","0.092","","","","","","1.141","","","","has coordinates","298821","2025-04-05","02:29:20",""
"1573916","7.0417","0.0001","21.4946","0.0001","12.9761","0.0001","90","","104.119","0.001","90","","1904.71","0.03","283.2","0.7","283.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 N6 O2 S2 -","- C16 H20 N6 O2 S2 -","- C64 H80 N24 O8 S8 -","4","1","","Datta, Paramita; Maji, Subir; Biswas, Prativa; Jain, Divya; Dey, Partha Protim; Mandal, Swadhin K.","An organophotocatalytic redox-neutral strategy for late-stage drug functionalization with SO<sub>2</sub> gas.","Chemical science","2025","16","12","5064","5075","10.1039/d4sc08380f","","","1.54184","CuKα","","0.0383","0.0359","","","0.1001","0.1024","","","","","","1.071","","","","has coordinates","298821","2025-04-05","02:29:20",""
"1573917","11.72","0.001","13.2505","0.001","11.8575","0.001","90","","111.107","0.003","90","","1717.9","0.2","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 N2 O4 S -","- C18 H20 N2 O4 S -","- C72 H80 N8 O16 S4 -","4","1","","Datta, Paramita; Maji, Subir; Biswas, Prativa; Jain, Divya; Dey, Partha Protim; Mandal, Swadhin K.","An organophotocatalytic redox-neutral strategy for late-stage drug functionalization with SO<sub>2</sub> gas.","Chemical science","2025","16","12","5064","5075","10.1039/d4sc08380f","","","0.71073","MoKα","","0.034","0.0296","","","0.0765","0.0793","","","","","","1.051","","","","has coordinates","298821","2025-04-05","02:29:20",""
"1573918","16.5203","0.0001","11.144","0.0001","23.4626","0.0002","90","","90","","90","","4319.52","0.06","290","9","290.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C23 H20 Cl N3 O3 S -","- C23 H20 Cl N3 O3 S -","- C184 H160 Cl8 N24 O24 S8 -","8","1","","Datta, Paramita; Maji, Subir; Biswas, Prativa; Jain, Divya; Dey, Partha Protim; Mandal, Swadhin K.","An organophotocatalytic redox-neutral strategy for late-stage drug functionalization with SO<sub>2</sub> gas.","Chemical science","2025","16","12","5064","5075","10.1039/d4sc08380f","","","1.54184","CuKα","","0.0361","0.0328","","","0.0957","0.0989","","","","","","1.059","","","","has coordinates","298821","2025-04-05","02:29:20",""
"1573919","11.096","0.003","10.649","0.003","14.752","0.004","90","","107.211","0.008","90","","1665.1","0.8","293.15","","293.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 Cl N O3 S -","- C17 H18 Cl N O3 S -","- C68 H72 Cl4 N4 O12 S4 -","4","1","","Datta, Paramita; Maji, Subir; Biswas, Prativa; Jain, Divya; Dey, Partha Protim; Mandal, Swadhin K.","An organophotocatalytic redox-neutral strategy for late-stage drug functionalization with SO<sub>2</sub> gas.","Chemical science","2025","16","12","5064","5075","10.1039/d4sc08380f","","","0.71073","MoKα","","0.0426","0.0386","","","0.1029","0.1071","","","","","","1.041","","","","has coordinates","298821","2025-04-05","02:29:20",""
"1573920","9.952","0.003","12.022","0.003","18.755","0.005","78.612","0.009","77.456","0.01","84.925","0.009","2144.8","1","293.15","","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C47 H46 N3 O10 S2 -","- C46 H50 N2 O10 S2 -","- C92 H100 N4 O20 S4 -","2","1","","Datta, Paramita; Maji, Subir; Biswas, Prativa; Jain, Divya; Dey, Partha Protim; Mandal, Swadhin K.","An organophotocatalytic redox-neutral strategy for late-stage drug functionalization with SO<sub>2</sub> gas.","Chemical science","2025","16","12","5064","5075","10.1039/d4sc08380f","","","0.71073","MoKα","","0.0967","0.0933","","","0.2287","0.2319","","","","","","1.094","","","","has coordinates","298821","2025-04-05","02:29:20",""
"1573921","13.3042","0.0005","15.8775","0.0007","16.5955","0.0008","90","","110.243","0.002","90","","3289.1","0.3","100","2","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H18 N3 O2 S2 -","- C17 H17 N3 O2 S2 -","- C136 H136 N24 O16 S16 -","8","2","","Datta, Paramita; Maji, Subir; Biswas, Prativa; Jain, Divya; Dey, Partha Protim; Mandal, Swadhin K.","An organophotocatalytic redox-neutral strategy for late-stage drug functionalization with SO<sub>2</sub> gas.","Chemical science","2025","16","12","5064","5075","10.1039/d4sc08380f","","","0.71073","MoKα","","0.0315","0.028","","","0.0722","0.0759","","","","","","1.058","","","","has coordinates","298821","2025-04-05","02:29:20",""
"1573924","26.4305","0.0013","26.4305","0.0013","28.419","0.002","90","","90","","120","","17192.9","1.7","170","","170","","","","","","","","","5","P 63/m","-P 6c","176","","","","- C270 H210 N30 O18 Zn3 -","- C270 H210 N30 O18 Zn3 -","- C540 H420 N60 O36 Zn6 -","2","0.166667","","Xu, Ziwei; Ying, Xinwen; Li, Yi; Dong, Xiaoyan; Liu, Jiyong; Wang, Shuping; Little, Marc A.; Zhang, Dahao; Xie, Yongshu; Zhang, Zibin; Yu, Ling; Huang, Feihe; Li, Shijun","Template-directed self-assembly of porphyrin nanorings through an imine condensation reaction.","Chemical science","2025","16","12","5166","5173","10.1039/d4sc08569h","","x-ray","1.34139","GaKα","","0.2082","0.1363","","","0.3491","0.4048","","","","","","1.202","","","","has coordinates","298816","2025-04-05","02:27:23",""
"1573927","10.45569","0.00015","18.57018","0.00019","10.44754","0.00014","90","","115.809","0.0017","90","","1826.19","0.05","280","1","280","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H21 F2 N O3 -","- C20 H21 F2 N O3 -","- C80 H84 F8 N4 O12 -","4","1","","Fu, Hong; Wang, Zuo-Shuai; Li, Si-Jia; Zhu, Lin-Yuan; Wang, Xiao-Jian; Wang, Hong-Chen; Han, Bing","Photocatalytic 1,3-difluoroalkylcarboxylation of alkenes by triple kinetic-controlled radical self-ordering.","Chemical science","2025","16","14","5849","5856","10.1039/d4sc08607d","","x-ray","1.54184","CuKα","","0.0394","0.0374","","","0.0982","0.0997","","","","","","1.047","","","","has coordinates","298828","2025-04-05","02:30:56",""
"1573928","9.938","0.0007","10.9753","0.0009","11.084","0.0007","108.444","0.006","102.977","0.006","113.996","0.007","956.77","0.17","149.99","0.1","149.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C22 H23 F2 N O3 -","- C22 H23 F2 N O3 -","- C44 H46 F4 N2 O6 -","2","1","","Fu, Hong; Wang, Zuo-Shuai; Li, Si-Jia; Zhu, Lin-Yuan; Wang, Xiao-Jian; Wang, Hong-Chen; Han, Bing","Photocatalytic 1,3-difluoroalkylcarboxylation of alkenes by triple kinetic-controlled radical self-ordering.","Chemical science","2025","16","14","5849","5856","10.1039/d4sc08607d","","x-ray","1.54184","CuKα","","0.0695","0.0556","","","0.1613","0.1792","","","","","","1.071","","","","has coordinates","298828","2025-04-05","02:30:56",""
"1573929","16.8352","0.0003","17.2648","0.0002","18.6772","0.0003","90","","94.3","0.002","90","","5413.37","0.14","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C47 H70 F3 Gd N6 O20 S -","- C47 H50 F3 Gd N6 O20 S -","- C188 H200 F12 Gd4 N24 O80 S4 -","4","1","","Bodman, Samantha E.; Stachelek, Patrycja; Rehman, Umatur; Plasser, Felix; Pal, Robert; Butler, Stephen J.","A switch-on luminescent europium(iii) probe for selective and time-resolved detection of adenosine diphosphate (ADP).","Chemical science","2025","16","13","5602","5612","10.1039/d4sc07188c","","x-ray","0.71075","MoKα","","0.0929","0.0642","","","0.1602","0.1864","","","","","","1.058","","","","has coordinates,has disorder","298804","2025-04-05","02:23:42",""
"1573930","11.8872","0.0005","10.1609","0.0005","28.5346","0.0012","90","","90","","90","","3446.5","0.3","298","","298","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H19 Cl O -","- C22 H19 Cl O -","- C176 H152 Cl8 O8 -","8","1","","Wang, Yue; Miao, Junhao; Dong, Honglin; Zhang, Dongliang; Chen, Bei; Guan, Meihui; Zhang, Ge; Zhang, Qian","A photo- and cobalt-catalyzed highly selective and divergent hydrofunctionalization of 1,3-dienes with phenols.","Chemical science","2025","16","13","5640","5650","10.1039/d5sc00438a","","","1.54178","CuKα","","0.0642","0.0608","","","0.1615","0.1663","","","","","","1.075","","","","has coordinates","298799","2025-04-05","02:22:43",""
"1573931","29.74","0.004","16.255","0.002","24.079","0.004","90","","98.901","0.006","90","","11500","3","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C69 H37.5 Au B F20 N4.5 -","- C69 H37.5 Au B F20 N4.5 -","- C552 H300 Au8 B8 F160 N36 -","8","2","","Haketa, Yohei; Nakajima, Ryoya; Maruyama, Yuto; Tanaka, Hiroki; Choi, Wookjin; Seki, Shu; Sato, Shunsuke; Baba, Hitomi; Ishii, Yoshiki; Watanabe, Go; Bulgarevich, Kirill; Takimiya, Kazuo; Deguchi, Kenzo; Ohki, Shinobu; Hashi, Kenjiro; Nakanishi, Takashi; Ishibashi, Yukihide; Asahi, Tsuyoshi; Ohta, Kazuchika; Maeda, Hiromitsu","Electrically conductive charge-segregated pseudo-polymorphs comprising highly planar expanded π-electronic cations.","Chemical science","2025","16","12","4998","5006","10.1039/d4sc07576e","","","0.71073","MoKα","","0.0882","0.0626","","","0.1546","0.172","","","","","","1.046","","","","has coordinates","298818","2025-04-05","02:28:00",""
"1573932","7.2275","0.0002","29.8407","0.0008","30.6964","0.0009","90","","90","","90","","6620.4","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C46 H20 Au N9 -","- C46 H20 Au N9 -","- C368 H160 Au8 N72 -","8","1","","Haketa, Yohei; Nakajima, Ryoya; Maruyama, Yuto; Tanaka, Hiroki; Choi, Wookjin; Seki, Shu; Sato, Shunsuke; Baba, Hitomi; Ishii, Yoshiki; Watanabe, Go; Bulgarevich, Kirill; Takimiya, Kazuo; Deguchi, Kenzo; Ohki, Shinobu; Hashi, Kenjiro; Nakanishi, Takashi; Ishibashi, Yukihide; Asahi, Tsuyoshi; Ohta, Kazuchika; Maeda, Hiromitsu","Electrically conductive charge-segregated pseudo-polymorphs comprising highly planar expanded π-electronic cations.","Chemical science","2025","16","12","4998","5006","10.1039/d4sc07576e","","","0.812","Synchrotron","","0.058","0.0495","","","0.1313","0.1388","","","","","","1.004","","","","has coordinates","298818","2025-04-05","02:28:01",""
"1573933","7.6381","0.0003","27.9614","0.0011","28.9791","0.0013","90","","90","","90","","6189.1","0.4","90","2","90","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C60 H20 Au B F20 N4 -","- C60 H20 Au B F20 N4 -","- C240 H80 Au4 B4 F80 N16 -","4","0.5","","Haketa, Yohei; Nakajima, Ryoya; Maruyama, Yuto; Tanaka, Hiroki; Choi, Wookjin; Seki, Shu; Sato, Shunsuke; Baba, Hitomi; Ishii, Yoshiki; Watanabe, Go; Bulgarevich, Kirill; Takimiya, Kazuo; Deguchi, Kenzo; Ohki, Shinobu; Hashi, Kenjiro; Nakanishi, Takashi; Ishibashi, Yukihide; Asahi, Tsuyoshi; Ohta, Kazuchika; Maeda, Hiromitsu","Electrically conductive charge-segregated pseudo-polymorphs comprising highly planar expanded π-electronic cations.","Chemical science","2025","16","12","4998","5006","10.1039/d4sc07576e","","","0.71073","MoKα","","0.0674","0.0521","","","0.1508","0.1613","","","","","","1.206","","","","has coordinates","298818","2025-04-05","02:28:01",""
"1573934","35.803","0.006","21.342","0.004","20.798","0.003","90","","116.122","0.004","90","","14269","4","90","2","90","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C80 H54 Au B F24 N6 -","- C80 H54 Au B F24 N6 -","- C640 H432 Au8 B8 F192 N48 -","8","1","","Haketa, Yohei; Nakajima, Ryoya; Maruyama, Yuto; Tanaka, Hiroki; Choi, Wookjin; Seki, Shu; Sato, Shunsuke; Baba, Hitomi; Ishii, Yoshiki; Watanabe, Go; Bulgarevich, Kirill; Takimiya, Kazuo; Deguchi, Kenzo; Ohki, Shinobu; Hashi, Kenjiro; Nakanishi, Takashi; Ishibashi, Yukihide; Asahi, Tsuyoshi; Ohta, Kazuchika; Maeda, Hiromitsu","Electrically conductive charge-segregated pseudo-polymorphs comprising highly planar expanded π-electronic cations.","Chemical science","2025","16","12","4998","5006","10.1039/d4sc07576e","","","0.71073","MoKα","","0.0328","0.03","","","0.0766","0.0782","","","","","","1.073","","","","has coordinates,has disorder","298818","2025-04-05","02:28:01",""
"1573935","25.853","0.003","37.935","0.004","20.488","0.002","90","","90.017","0.006","90","","20093","4","90","2","90","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C70.67 H36 Au B Cl4 F24 N4 -","- C70.6667 H36 Au B Cl4 F24 N4 -","- C848 H432 Au12 B12 Cl48 F288 N48 -","12","1.5","","Haketa, Yohei; Nakajima, Ryoya; Maruyama, Yuto; Tanaka, Hiroki; Choi, Wookjin; Seki, Shu; Sato, Shunsuke; Baba, Hitomi; Ishii, Yoshiki; Watanabe, Go; Bulgarevich, Kirill; Takimiya, Kazuo; Deguchi, Kenzo; Ohki, Shinobu; Hashi, Kenjiro; Nakanishi, Takashi; Ishibashi, Yukihide; Asahi, Tsuyoshi; Ohta, Kazuchika; Maeda, Hiromitsu","Electrically conductive charge-segregated pseudo-polymorphs comprising highly planar expanded π-electronic cations.","Chemical science","2025","16","12","4998","5006","10.1039/d4sc07576e","","","0.4136","Synchrotron","","0.0753","0.0583","","","0.1284","0.1377","","","","","","1.072","","","","has coordinates,has disorder","298818","2025-04-05","02:28:01",""
"1573936","9.41547","0.00015","10.53235","0.00017","23.2502","0.0002","93.7232","0.0011","99.2727","0.0011","91.1692","0.0013","2269.61","0.06","149.99","0.1","149.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C48 H40 O12 P4 Te2 -","- C48 H40 O12 P4 Te2 -","- C96 H80 O24 P8 Te4 -","2","1","","Xue, Miaomiao; Ye, Guigui; Zhang, Lei; Dong, Qiang; Lee, Chun-Sing; Li, Zhen; Zhang, Qichun","Preparation, single-crystal structure and room-temperature phosphorescence of a covalent organic polymer containing Te-O-P bonds.","Chemical science","2025","16","12","5260","5265","10.1039/d4sc07210c","","x-ray","1.54184","CuKα","","0.0244","0.023","","","0.0578","0.0586","","","","","","1.056","","","","has coordinates","298826","2025-04-05","02:30:12",""
"1573937","13.536","0.0012","5.5532","0.0005","21.084","0.002","90","","92.725","0.009","90","","1583.1","0.3","302.11","0.1","302.11","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C38 H38 N2 O2 -","- C38 H38 N2 O2 -","- C76 H76 N4 O4 -","2","0.5","","Zhao, Zhenxiang; Wang, Senhao; Shi, Xiaomei; Fu, Hongbing; Wang, Long","Multiple effects of aromatic substituents on excited-state properties and singlet fission process in azaquinodimethane systems.","Chemical science","2025","16","13","5565","5572","10.1039/d4sc06494a","","x-ray","0.71073","MoKα","","0.1386","0.075","","","0.222","0.2706","","","","","","1.029","","","","has coordinates,has disorder","298801","2025-04-05","02:23:14",""
"1573938","11.0327","0.001","12.2831","0.0008","24.7672","0.0012","77.396","0.005","89.959","0.006","64.379","0.008","2936.6","0.4","149","2","149","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H34 N2 O2 S2 -","- C34 H34 N2 O2 S2 -","- C136 H136 N8 O8 S8 -","4","2","","Zhao, Zhenxiang; Wang, Senhao; Shi, Xiaomei; Fu, Hongbing; Wang, Long","Multiple effects of aromatic substituents on excited-state properties and singlet fission process in azaquinodimethane systems.","Chemical science","2025","16","13","5565","5572","10.1039/d4sc06494a","","x-ray","1.54184","CuKα","","0.1254","0.0954","","","0.2811","0.3041","","","","","","1.062","","","","has coordinates","298801","2025-04-05","02:23:15",""
"1573939","39.3453","0.0015","6.1691","0.0002","22.6081","0.0009","90","","116.888","0.002","90","","4894.3","0.3","237","","237","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C30 H24 N2 O -","- C30 H24 N2 O -","- C240 H192 N16 O8 -","8","1","","Liao, Huijuan; Dong, Jianyang; Zhou, Xuechen; Jiang, Qin; Lv, Zishan; Lei, Fang; Xue, Dong","Silver-mediated formal [4π + 2<i>σ</i>] cycloaddition reactions of bicyclobutanes with nitrile imines: access to 2,3-diazobicyclo[3.1.1]heptenes.","Chemical science","2025","16","11","4654","4660","10.1039/d4sc08280j","","","1.54178","CuKα","","0.0415","0.0345","","","0.0899","0.0951","","","","","","1.056","","","","has coordinates","298807","2025-04-05","02:24:34",""
"1573940","11.8395","0.0006","14.4553","0.0007","15.7362","0.0008","70.349","0.002","82.732","0.002","88.868","0.002","2515.2","0.2","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C54 H60.7 Cu F6 N4.4 O6.55 P -","- C54 H60.7 Cu F6 N4.4 O6.55 P -","- C108 H121.4 Cu2 F12 N8.8 O13.1 P2 -","2","1","","Saeednia, Borna; Sragow, Aria M.; Lin, Yannan; Sheehan, Colton J.; Metlay, Amy S.; Gau, Michael R.; Dye, Samantha A.; O'Konski, Sarah P; Mallouk, Thomas E.; Dmochowski, Ivan J.","Unusually air-stable copper(i) complexes showing high selectivity for carbon monoxide.","Chemical science","2025","16","12","5058","5063","10.1039/d5sc00237k","","","0.71073","MoKα","","0.0665","0.0508","","","0.1329","0.1429","","","","","","1.03","","","","has coordinates,has disorder","298817","2025-04-05","02:27:37",""
"1573941","15.4717","0.0005","18.0548","0.0007","22.9196","0.0007","90","","90","","90","","6402.3","0.4","100","","100","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C62 H69.5 Cu F6 N7.5 O12.5 S2 -","- C62 H69.5 Cu F6 N7.5 O12.5 S2 -","- C248 H278 Cu4 F24 N30 O50 S8 -","4","1","","Saeednia, Borna; Sragow, Aria M.; Lin, Yannan; Sheehan, Colton J.; Metlay, Amy S.; Gau, Michael R.; Dye, Samantha A.; O'Konski, Sarah P; Mallouk, Thomas E.; Dmochowski, Ivan J.","Unusually air-stable copper(i) complexes showing high selectivity for carbon monoxide.","Chemical science","2025","16","12","5058","5063","10.1039/d5sc00237k","","","0.71073","MoKα","","0.0555","0.0432","","","0.1041","0.1119","","","","","","1.052","","","","has coordinates,has disorder","298817","2025-04-05","02:27:37",""
"1573942","18.0509","0.0004","16.2265","0.0002","20.4026","0.0005","90","","115.111","0.003","90","","5411.2","0.2","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C56 H61 Cu F3 N8 O9 S -","- C56 H61 Cu F3 N8 O9 S -","- C224 H244 Cu4 F12 N32 O36 S4 -","4","1","","Saeednia, Borna; Sragow, Aria M.; Lin, Yannan; Sheehan, Colton J.; Metlay, Amy S.; Gau, Michael R.; Dye, Samantha A.; O'Konski, Sarah P; Mallouk, Thomas E.; Dmochowski, Ivan J.","Unusually air-stable copper(i) complexes showing high selectivity for carbon monoxide.","Chemical science","2025","16","12","5058","5063","10.1039/d5sc00237k","","x-ray","0.71073","MoKα","","0.0474","0.0403","","","0.0969","0.0998","","","","","","1.047","","","","has coordinates,has disorder","298817","2025-04-05","02:27:37",""
"1573948","6.986","0.003","11.274","0.005","11.59","0.005","67.534","0.014","89.112","0.015","88.67","0.015","843.3","0.6","273.15","","273.15","","","","","","","","","6","P -1","-P 1","2","","","","- C10 H16 Ca N2 O10 S2 -","- C10 H16 Ca N2 O10 S2 -","- C20 H32 Ca2 N4 O20 S4 -","2","1","","Xu, Longyun; Li, Conggang; Li, Shuaifeng; Zhao, Huijian; Kong, Xianghao; Qu, Zaixin; Feng, Wenjie; Xu, Kaidong; Ye, Ning; Hu, Zhanggui","Hydrogen bonding regulation-oriented design of pyridine sulfonate as a promising UV birefringent crystal characterized by enhanced structural anisotropy.","Chemical science","2025","16","12","5186","5193","10.1039/d4sc08583c","","","0.71073","MoKα","","0.0729","0.0396","","","0.0775","0.0895","","","","","","1.01","","","","has coordinates","298822","2025-04-05","02:29:30",""
"1573949","21.2505","0.0015","11.5885","0.0007","20.6086","0.0013","90","","92.21","0.002","90","","5071.3","0.6","110","","110","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C41 H48 Cr F9 N12 O9 S3 -","- C41 H48 Cr F9 N12 O9 S3 -","- C164 H192 Cr4 F36 N48 O36 S12 -","4","1","","Ye, Yating; Poncet, Maxime; Yaltseva, Polina; Salcedo-Abraira, Pablo; Rodríguez-Diéguez, Antonio; Martín, Javier Heredia; Cuevas-Contreras, Laura; Cruz, Carlos M.; Doistau, Benjamin; Piguet, Claude; Wenger, Oliver S.; Herrera, Juan Manuel; Jiménez, Juan-Ramón","Modulating the spin-flip rates and emission energies through ligand design in chromium(iii) molecular rubies.","Chemical science","2025","16","12","5205","5213","10.1039/d4sc08021a","","","0.71073","MoKα","","0.05","0.0413","","","0.1091","0.1165","","","","","","1.053","","","","has coordinates","298825","2025-04-05","02:30:03",""
"1573950","24.8078","0.0009","21.0257","0.001","11.4987","0.0005","90","","90","","90","","5997.7","0.4","100","","100","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C45 H54 Cr F9 N10 O19 S3 -","- C45 H34 Cr F9 N10 O9 S3 -","- C180 H136 Cr4 F36 N40 O36 S12 -","4","1","","Ye, Yating; Poncet, Maxime; Yaltseva, Polina; Salcedo-Abraira, Pablo; Rodríguez-Diéguez, Antonio; Martín, Javier Heredia; Cuevas-Contreras, Laura; Cruz, Carlos M.; Doistau, Benjamin; Piguet, Claude; Wenger, Oliver S.; Herrera, Juan Manuel; Jiménez, Juan-Ramón","Modulating the spin-flip rates and emission energies through ligand design in chromium(iii) molecular rubies.","Chemical science","2025","16","12","5205","5213","10.1039/d4sc08021a","","x-ray","0.71073","MoKα","","0.1117","0.1037","","","0.3308","0.3517","","","","","","1.687","","","","has coordinates,has disorder","298825","2025-04-05","02:30:04",""
"1573951","11.8195","0.0005","22.8812","0.001","22.7016","0.001","90","","100.664","0.0016","90","","6033.5","0.5","100","","100","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C43 H51 Cr F9 I4 N11 O10 S3 -","- C43 H51 Cr F9 I4.0014 N11 O10 S3 -","- C172 H204 Cr4 F36 I16.0056 N44 O40 S12 -","4","1","","Ye, Yating; Poncet, Maxime; Yaltseva, Polina; Salcedo-Abraira, Pablo; Rodríguez-Diéguez, Antonio; Martín, Javier Heredia; Cuevas-Contreras, Laura; Cruz, Carlos M.; Doistau, Benjamin; Piguet, Claude; Wenger, Oliver S.; Herrera, Juan Manuel; Jiménez, Juan-Ramón","Modulating the spin-flip rates and emission energies through ligand design in chromium(iii) molecular rubies.","Chemical science","2025","16","12","5205","5213","10.1039/d4sc08021a","","","0.71073","MoKα","","0.0816","0.0611","","","0.1406","0.154","","","","","","1.073","","","","has coordinates,has disorder","298825","2025-04-05","02:30:04",""
"1573953","10.327","0.0013","11.0712","0.0014","13.0992","0.0017","93.047","0.002","92.234","0.002","102.161","0.002","1460.1","0.3","100","2","100.15","","","","","","","","","4","P -1","-P 1","2","","","","- C41 H26 N4 O -","- C41 H26 N4 O -","- C82 H52 N8 O2 -","2","1","","Chu, Lizhi; Ma, Chenglin; Zhang, Li; Zhou, Yannan; Song, Jingru; Sun, Qikun; Zhang, Shi-Tong; Yang, Wenjun; Xue, Shanfeng","Multifunctional oxadiazole-based ultraviolet-emitting materials used as hosts for multicolor phosphorescence.","Chemical science","2025","16","12","5252","5259","10.1039/d5sc00374a","","","0.71073","MoKα","","0.0471","0.0355","","","0.0903","0.096","","","","","","0.955","","","","has coordinates","298815","2025-04-05","02:26:52",""
"1573954","5.505","0.0001","19.8183","0.0003","27.3727","0.0004","90","","95.443","0.001","90","","2972.89","0.08","298","2","298","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C41 H26 N4 O -","- C41 H26 N4 O -","- C164 H104 N16 O4 -","4","1","","Chu, Lizhi; Ma, Chenglin; Zhang, Li; Zhou, Yannan; Song, Jingru; Sun, Qikun; Zhang, Shi-Tong; Yang, Wenjun; Xue, Shanfeng","Multifunctional oxadiazole-based ultraviolet-emitting materials used as hosts for multicolor phosphorescence.","Chemical science","2025","16","12","5252","5259","10.1039/d5sc00374a","","","1.54178","CuKα","","0.048","0.039","","","0.0989","0.105","","","","","","1.047","","","","has coordinates","298815","2025-04-05","02:26:52",""
"1573955","53.653","0.003","9.11","0.0006","11.0235","0.0007","90","","95.524","0.003","90","","5363","0.6","303.15","","303.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C32 H21 N3 O -","- C32 H21 N3 O -","- C256 H168 N24 O8 -","8","1","","Chu, Lizhi; Ma, Chenglin; Zhang, Li; Zhou, Yannan; Song, Jingru; Sun, Qikun; Zhang, Shi-Tong; Yang, Wenjun; Xue, Shanfeng","Multifunctional oxadiazole-based ultraviolet-emitting materials used as hosts for multicolor phosphorescence.","Chemical science","2025","16","12","5252","5259","10.1039/d5sc00374a","","","1.54178","CuKα","","0.0921","0.0783","","","0.2059","0.2143","","","","","","1.047","","","","has coordinates","298815","2025-04-05","02:26:52",""
"1573956","12.9388","0.0004","30.291","0.002","6.6444","0.0002","90","","90","","90","","2604.1","0.2","300","3","300","3","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C16 H18 F4 I4 N8 Pb -","- C16 H18 F4 I4 N8 Pb -","- C64 H72 F16 I16 N32 Pb4 -","4","0.5","","Maufort, Arthur; Van Landeghem, Melissa; Deutsch, Maxime; Banks, Peter; La Magna, Paola; Van Hecke, Kristof; Cerdá, Jesús; Lutsen, Laurence; Vanderzande, Dirk; Quarti, Claudio; Beljonne, David; Pillet, Sébastien; Vandewal, Koen; Van Gompel, Wouter T. M.","Structural rigidity, thermochromism and piezochromism of layered hybrid perovskites containing an interdigitated organic bilayer.","Chemical science","2025","16","13","5662","5675","10.1039/d4sc06637e","","","0.71073","MoKα","","0.0189","0.017","","","0.038","0.0389","","","","","","1.102","","","","has coordinates","298797","2025-04-05","02:22:22",""
"1573957","12.8444","0.0005","29.723","0.002","6.5815","0.0003","90","","90","","90","","2512.6","0.2","300","3","300","3","","","600000","","","","","6","P n m a","-P 2ac 2n","62","","","","- C16 H18 F4 I4 N8 Pb -","- C16 H18 F4 I4 N8 Pb -","- C64 H72 F16 I16 N32 Pb4 -","4","0.5","","Maufort, Arthur; Van Landeghem, Melissa; Deutsch, Maxime; Banks, Peter; La Magna, Paola; Van Hecke, Kristof; Cerdá, Jesús; Lutsen, Laurence; Vanderzande, Dirk; Quarti, Claudio; Beljonne, David; Pillet, Sébastien; Vandewal, Koen; Van Gompel, Wouter T. M.","Structural rigidity, thermochromism and piezochromism of layered hybrid perovskites containing an interdigitated organic bilayer.","Chemical science","2025","16","13","5662","5675","10.1039/d4sc06637e","","","0.71073","MoKα","","0.0187","0.0167","","","0.0377","0.0387","","","","","","1.103","","","","has coordinates","298797","2025-04-05","02:22:23",""
"1573958","12.4841","0.0006","27.931","0.002","6.2972","0.0003","90","","90","","90","","2195.8","0.2","300","3","300","3","","","3900000","","","","","6","P n m a","-P 2ac 2n","62","","","","- C16 H18 F4 I4 N8 Pb -","- C16 H18 F4 I4 N8 Pb -","- C64 H72 F16 I16 N32 Pb4 -","4","0.5","","Maufort, Arthur; Van Landeghem, Melissa; Deutsch, Maxime; Banks, Peter; La Magna, Paola; Van Hecke, Kristof; Cerdá, Jesús; Lutsen, Laurence; Vanderzande, Dirk; Quarti, Claudio; Beljonne, David; Pillet, Sébastien; Vandewal, Koen; Van Gompel, Wouter T. M.","Structural rigidity, thermochromism and piezochromism of layered hybrid perovskites containing an interdigitated organic bilayer.","Chemical science","2025","16","13","5662","5675","10.1039/d4sc06637e","","","0.71073","MoKα","","0.0165","0.0159","","","0.0355","0.0358","","","","","","1.117","","","","has coordinates","298797","2025-04-05","02:22:23",""
"1573959","12.5017","0.0009","27.526","0.004","6.2872","0.0004","90","","90","","90","","2163.6","0.4","300","3","300","3","","","4810000","","","","","6","P n m a","-P 2ac 2n","62","","","","- C16 H18 F4 I4 N8 Pb -","- C16 H18 F4 I4 N8 Pb -","- C64 H72 F16 I16 N32 Pb4 -","4","0.5","","Maufort, Arthur; Van Landeghem, Melissa; Deutsch, Maxime; Banks, Peter; La Magna, Paola; Van Hecke, Kristof; Cerdá, Jesús; Lutsen, Laurence; Vanderzande, Dirk; Quarti, Claudio; Beljonne, David; Pillet, Sébastien; Vandewal, Koen; Van Gompel, Wouter T. M.","Structural rigidity, thermochromism and piezochromism of layered hybrid perovskites containing an interdigitated organic bilayer.","Chemical science","2025","16","13","5662","5675","10.1039/d4sc06637e","","","0.71073","MoKα","","0.0236","0.0223","","","0.0456","0.0459","","","","","","1.191","","","","has coordinates","298797","2025-04-05","02:22:23",""
"1573960","12.6989","0.001","28.912","0.004","6.47","0.0005","90","","90","","90","","2375.5","0.4","300","3","300","3","","","1610000","","","","","6","P n m a","-P 2ac 2n","62","","","","- C16 H18 F4 I4 N8 Pb -","- C16 H18 F4 I4 N8 Pb -","- C64 H72 F16 I16 N32 Pb4 -","4","0.5","","Maufort, Arthur; Van Landeghem, Melissa; Deutsch, Maxime; Banks, Peter; La Magna, Paola; Van Hecke, Kristof; Cerdá, Jesús; Lutsen, Laurence; Vanderzande, Dirk; Quarti, Claudio; Beljonne, David; Pillet, Sébastien; Vandewal, Koen; Van Gompel, Wouter T. M.","Structural rigidity, thermochromism and piezochromism of layered hybrid perovskites containing an interdigitated organic bilayer.","Chemical science","2025","16","13","5662","5675","10.1039/d4sc06637e","","","0.71073","MoKα","","0.0159","0.0151","","","0.0352","0.0355","","","","","","1.146","","","","has coordinates","298797","2025-04-05","02:22:23",""
"1573961","12.5029","0.0007","27.709","0.003","6.2997","0.0004","90","","90","","90","","2182.5","0.3","300","3","300","3","","","4330000","","","","","6","P n m a","-P 2ac 2n","62","","","","- C16 H18 F4 I4 N8 Pb -","- C16 H18 F4 I4 N8 Pb -","- C64 H72 F16 I16 N32 Pb4 -","4","0.5","","Maufort, Arthur; Van Landeghem, Melissa; Deutsch, Maxime; Banks, Peter; La Magna, Paola; Van Hecke, Kristof; Cerdá, Jesús; Lutsen, Laurence; Vanderzande, Dirk; Quarti, Claudio; Beljonne, David; Pillet, Sébastien; Vandewal, Koen; Van Gompel, Wouter T. M.","Structural rigidity, thermochromism and piezochromism of layered hybrid perovskites containing an interdigitated organic bilayer.","Chemical science","2025","16","13","5662","5675","10.1039/d4sc06637e","","","0.71073","MoKα","","0.02","0.0185","","","0.0406","0.041","","","","","","1.157","","","","has coordinates","298797","2025-04-05","02:22:23",""
"1573962","12.699","0.0005","28.928","0.002","6.4727","0.0003","90","","90","","90","","2377.8","0.2","300","3","300","3","","","1600000","","","","","6","P n m a","-P 2ac 2n","62","","","","- C16 H18 F4 I4 N8 Pb -","- C16 H18 F4 I4 N8 Pb -","- C64 H72 F16 I16 N32 Pb4 -","4","0.5","","Maufort, Arthur; Van Landeghem, Melissa; Deutsch, Maxime; Banks, Peter; La Magna, Paola; Van Hecke, Kristof; Cerdá, Jesús; Lutsen, Laurence; Vanderzande, Dirk; Quarti, Claudio; Beljonne, David; Pillet, Sébastien; Vandewal, Koen; Van Gompel, Wouter T. M.","Structural rigidity, thermochromism and piezochromism of layered hybrid perovskites containing an interdigitated organic bilayer.","Chemical science","2025","16","13","5662","5675","10.1039/d4sc06637e","","","0.71073","MoKα","","0.0187","0.0168","","","0.0357","0.0394","","","","","","1.153","","","","has coordinates","298797","2025-04-05","02:22:23",""
"1573963","12.9028","0.0005","30.077","0.003","6.6218","0.0003","90","","90","","90","","2569.8","0.3","300","3","300","3","","","200000","","","","","6","P n m a","-P 2ac 2n","62","","","","- C16 H18 F4 I4 N8 Pb -","- C16 H18 F4 I4 N8 Pb -","- C64 H72 F16 I16 N32 Pb4 -","4","0.5","","Maufort, Arthur; Van Landeghem, Melissa; Deutsch, Maxime; Banks, Peter; La Magna, Paola; Van Hecke, Kristof; Cerdá, Jesús; Lutsen, Laurence; Vanderzande, Dirk; Quarti, Claudio; Beljonne, David; Pillet, Sébastien; Vandewal, Koen; Van Gompel, Wouter T. M.","Structural rigidity, thermochromism and piezochromism of layered hybrid perovskites containing an interdigitated organic bilayer.","Chemical science","2025","16","13","5662","5675","10.1039/d4sc06637e","","","0.71073","MoKα","","0.0189","0.017","","","0.0383","0.039","","","","","","1.113","","","","has coordinates","298797","2025-04-05","02:22:23",""
"1573964","12.5704","0.0005","28.337","0.002","6.3725","0.0003","90","","90","","90","","2269.9","0.2","300","3","300","3","","","2825000","","","","","6","P n m a","-P 2ac 2n","62","","","","- C16 H18 F4 I4 N8 Pb -","- C16 H18 F4 I4 N8 Pb -","- C64 H72 F16 I16 N32 Pb4 -","4","0.5","","Maufort, Arthur; Van Landeghem, Melissa; Deutsch, Maxime; Banks, Peter; La Magna, Paola; Van Hecke, Kristof; Cerdá, Jesús; Lutsen, Laurence; Vanderzande, Dirk; Quarti, Claudio; Beljonne, David; Pillet, Sébastien; Vandewal, Koen; Van Gompel, Wouter T. M.","Structural rigidity, thermochromism and piezochromism of layered hybrid perovskites containing an interdigitated organic bilayer.","Chemical science","2025","16","13","5662","5675","10.1039/d4sc06637e","","","0.71073","MoKα","","0.0172","0.0158","","","0.0361","0.0376","","","","","","1.158","","","","has coordinates","298797","2025-04-05","02:22:23",""
"1573965","12.5155","0.0005","28.112","0.002","6.3307","0.0002","90","","90","","90","","2227.37","0.19","300","3","300","3","","","3400000","","","","","6","P n m a","-P 2ac 2n","62","","","","- C16 H18 F4 I4 N8 Pb -","- C16 H18 F4 I4 N8 Pb -","- C64 H72 F16 I16 N32 Pb4 -","4","0.5","","Maufort, Arthur; Van Landeghem, Melissa; Deutsch, Maxime; Banks, Peter; La Magna, Paola; Van Hecke, Kristof; Cerdá, Jesús; Lutsen, Laurence; Vanderzande, Dirk; Quarti, Claudio; Beljonne, David; Pillet, Sébastien; Vandewal, Koen; Van Gompel, Wouter T. M.","Structural rigidity, thermochromism and piezochromism of layered hybrid perovskites containing an interdigitated organic bilayer.","Chemical science","2025","16","13","5662","5675","10.1039/d4sc06637e","","","0.71073","MoKα","","0.0188","0.017","","","0.0357","0.0394","","","","","","1.204","","","","has coordinates","298797","2025-04-05","02:22:23",""
"1573966","12.6346","0.0005","28.617","0.002","6.4221","0.0003","90","","90","","90","","2322","0.2","300","3","300","3","","","2220000","","","","","6","P n m a","-P 2ac 2n","62","","","","- C16 H18 F4 I4 N8 Pb -","- C16 H18 F4 I4 N8 Pb -","- C64 H72 F16 I16 N32 Pb4 -","4","0.5","","Maufort, Arthur; Van Landeghem, Melissa; Deutsch, Maxime; Banks, Peter; La Magna, Paola; Van Hecke, Kristof; Cerdá, Jesús; Lutsen, Laurence; Vanderzande, Dirk; Quarti, Claudio; Beljonne, David; Pillet, Sébastien; Vandewal, Koen; Van Gompel, Wouter T. M.","Structural rigidity, thermochromism and piezochromism of layered hybrid perovskites containing an interdigitated organic bilayer.","Chemical science","2025","16","13","5662","5675","10.1039/d4sc06637e","","","0.71073","MoKα","","0.0159","0.0151","","","0.0316","0.0319","","","","","","1.154","","","","has coordinates","298797","2025-04-05","02:22:23",""
"1573967","12.7582","0.0005","29.234","0.002","6.5183","0.0003","90","","90","","90","","2431.2","0.2","300","3","300","3","","","1100000","","","","","6","P n m a","-P 2ac 2n","62","","","","- C16 H18 F4 I4 N8 Pb -","- C16 H18 F4 I4 N8 Pb -","- C64 H72 F16 I16 N32 Pb4 -","4","0.5","","Maufort, Arthur; Van Landeghem, Melissa; Deutsch, Maxime; Banks, Peter; La Magna, Paola; Van Hecke, Kristof; Cerdá, Jesús; Lutsen, Laurence; Vanderzande, Dirk; Quarti, Claudio; Beljonne, David; Pillet, Sébastien; Vandewal, Koen; Van Gompel, Wouter T. M.","Structural rigidity, thermochromism and piezochromism of layered hybrid perovskites containing an interdigitated organic bilayer.","Chemical science","2025","16","13","5662","5675","10.1039/d4sc06637e","","","0.71073","MoKα","","0.0181","0.0166","","","0.0339","0.035","","","","","","1.118","","","","has coordinates","298797","2025-04-05","02:22:23",""
"1573968","5.5513","0.0001","9.0805","0.0001","22.6176","0.0003","90","","93.832","0.001","90","","1137.57","0.03","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 N2 -","- C15 H12 N2 -","- C60 H48 N8 -","4","1","","Shaydullin, Ruslan R.; Galushko, Alexey S.; Ilyushenkova, Valentina V.; Vlasova, Yulia S.; Ananikov, Valentine P.","Are activation barriers of 50-70 kcal mol<sup>-1</sup> accessible for transformations in organic synthesis in solution?","Chemical science","2025","16","12","5289","5298","10.1039/d4sc08243e","","x-ray","1.54184","CuKα","","0.042","0.0397","","","0.11","0.1123","","","","","","1.03","","","","has coordinates","298824","2025-04-05","02:29:44",""
"1573969","27.5951","0.0002","13.4831","0.0001","29.7605","0.0002","90","","114.537","0.001","90","","10073","0.15","100","0.1","100","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C123 H94 B2 Cl6 N6 Zn -","- C120 H88 B2 N6 Zn -","- C480 H352 B8 N24 Zn4 -","4","0.5","","Janetzki, Jett T.; Brown, Dominic S.; Daumann, Florian; Ismail, I. Haseena; Gable, Robert W.; Hay, Moya A.; Mulder, Roger J.; Starikova, Alyona A.; Weber, Birgit; Giansiracusa, Marcus J.; Boskovic, Colette","Thermal- and light-induced valence tautomerism with a concerted spin transition in an iron tris(diimine) complex.","Chemical science","2025","16","14","5857","5871","10.1039/d4sc07798a","","x-ray","1.54184","CuKα","","0.0367","0.0348","","","0.0964","0.0978","","","","","","1.038","","","","has coordinates","298833","2025-04-05","02:33:26",""
"1573970","27.51","0.006","13.52","0.003","30.45","0.006","90","","113.67","0.03","90","","10373","5","300","0.2","300","0.2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C132 H116 B2 Fe N6 O2 -","- C120 H88 B2 Fe N6 -","- C480 H352 B8 Fe4 N24 -","4","0.5","","Janetzki, Jett T.; Brown, Dominic S.; Daumann, Florian; Ismail, I. Haseena; Gable, Robert W.; Hay, Moya A.; Mulder, Roger J.; Starikova, Alyona A.; Weber, Birgit; Giansiracusa, Marcus J.; Boskovic, Colette","Thermal- and light-induced valence tautomerism with a concerted spin transition in an iron tris(diimine) complex.","Chemical science","2025","16","14","5857","5871","10.1039/d4sc07798a","","","0.71075","Synchrotron","","0.0429","0.0378","","","0.1153","0.1203","","","","","","1.074","","","","has coordinates","298833","2025-04-05","02:33:27",""
"1573971","27.79","0.006","13.68","0.003","30.56","0.006","90","","113.4","0.03","90","","10662","5","400","0.2","400","0.2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C132 H116 B2 Fe N6 O2 -","- C120 H88 B2 Fe N6 -","- C480 H352 B8 Fe4 N24 -","4","0.5","","Janetzki, Jett T.; Brown, Dominic S.; Daumann, Florian; Ismail, I. Haseena; Gable, Robert W.; Hay, Moya A.; Mulder, Roger J.; Starikova, Alyona A.; Weber, Birgit; Giansiracusa, Marcus J.; Boskovic, Colette","Thermal- and light-induced valence tautomerism with a concerted spin transition in an iron tris(diimine) complex.","Chemical science","2025","16","14","5857","5871","10.1039/d4sc07798a","","","0.71075","Synchrotron","","0.0603","0.0459","","","0.1389","0.1556","","","","","","1.042","","","","has coordinates","298833","2025-04-05","02:33:27",""
"1573972","27.31","0.006","13.37","0.003","30.17","0.006","90","","114.31","0.03","90","","10039","4","100","0.2","100","0.2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C132 H116 B2 Fe N6 O2 -","- C120 H88 B2 Fe N6 -","- C480 H352 B8 Fe4 N24 -","4","0.5","","Janetzki, Jett T.; Brown, Dominic S.; Daumann, Florian; Ismail, I. Haseena; Gable, Robert W.; Hay, Moya A.; Mulder, Roger J.; Starikova, Alyona A.; Weber, Birgit; Giansiracusa, Marcus J.; Boskovic, Colette","Thermal- and light-induced valence tautomerism with a concerted spin transition in an iron tris(diimine) complex.","Chemical science","2025","16","14","5857","5871","10.1039/d4sc07798a","","","0.71075","Synchrotron","","0.0437","0.04","","","0.1084","0.1122","","","","","","1.061","","","","has coordinates","298833","2025-04-05","02:33:27",""
"1573973","27.71","0.006","13.64","0.003","30.55","0.006","90","","113.46","0.03","90","","10592","5","375","0.2","375","0.2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C132 H116 B2 Fe N6 O2 -","- C120 H88 B2 Fe N6 -","- C480 H352 B8 Fe4 N24 -","4","0.5","","Janetzki, Jett T.; Brown, Dominic S.; Daumann, Florian; Ismail, I. Haseena; Gable, Robert W.; Hay, Moya A.; Mulder, Roger J.; Starikova, Alyona A.; Weber, Birgit; Giansiracusa, Marcus J.; Boskovic, Colette","Thermal- and light-induced valence tautomerism with a concerted spin transition in an iron tris(diimine) complex.","Chemical science","2025","16","14","5857","5871","10.1039/d4sc07798a","","","0.71075","Synchrotron","","0.0551","0.0427","","","0.1301","0.1435","","","","","","1.085","","","","has coordinates","298833","2025-04-05","02:33:27",""
"1573974","27.429","0.006","13.479","0.003","29.817","0.006","90","","114.3","0.03","90","","10047","4","100","2","100","0.02","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C133 H118 B2 Cl2 Co N6 O2 -","- C120 H88 B2 Co N6 -","- C480 H352 B8 Co4 N24 -","4","0.5","","Janetzki, Jett T.; Brown, Dominic S.; Daumann, Florian; Ismail, I. Haseena; Gable, Robert W.; Hay, Moya A.; Mulder, Roger J.; Starikova, Alyona A.; Weber, Birgit; Giansiracusa, Marcus J.; Boskovic, Colette","Thermal- and light-induced valence tautomerism with a concerted spin transition in an iron tris(diimine) complex.","Chemical science","2025","16","14","5857","5871","10.1039/d4sc07798a","","x-ray","0.71076","Synchrotron","","0.0609","0.0558","","","0.175","0.1813","","","","","","1.111","","","","has coordinates","298833","2025-04-05","02:33:27",""
"1573975","27.35","0.006","13.4","0.003","30.24","0.006","90","","114.19","0.03","90","","10110","4","150","0.2","150","0.2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C132 H116 B2 Fe N6 O2 -","- C120 H88 B2 Fe N6 -","- C480 H352 B8 Fe4 N24 -","4","0.5","","Janetzki, Jett T.; Brown, Dominic S.; Daumann, Florian; Ismail, I. Haseena; Gable, Robert W.; Hay, Moya A.; Mulder, Roger J.; Starikova, Alyona A.; Weber, Birgit; Giansiracusa, Marcus J.; Boskovic, Colette","Thermal- and light-induced valence tautomerism with a concerted spin transition in an iron tris(diimine) complex.","Chemical science","2025","16","14","5857","5871","10.1039/d4sc07798a","","","0.71075","Synchrotron","","0.044","0.0398","","","0.109","0.1142","","","","","","1.061","","","","has coordinates","298833","2025-04-05","02:33:27",""
"1573976","27.38","0.006","13.44","0.003","30.33","0.006","90","","113.99","0.03","90","","10197","4","200","0.2","200","0.2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C132 H116 B2 Fe N6 O2 -","- C120 H88 B2 Fe N6 -","- C480 H352 B8 Fe4 N24 -","4","0.5","","Janetzki, Jett T.; Brown, Dominic S.; Daumann, Florian; Ismail, I. Haseena; Gable, Robert W.; Hay, Moya A.; Mulder, Roger J.; Starikova, Alyona A.; Weber, Birgit; Giansiracusa, Marcus J.; Boskovic, Colette","Thermal- and light-induced valence tautomerism with a concerted spin transition in an iron tris(diimine) complex.","Chemical science","2025","16","14","5857","5871","10.1039/d4sc07798a","","","0.71075","Synchrotron","","0.0471","0.0391","","","0.1099","0.1202","","","","","","1.107","","","","has coordinates","298833","2025-04-05","02:33:27",""
"1573977","27.44","0.006","13.47","0.003","30.39","0.006","90","","113.83","0.03","90","","10275","4","250","0.2","250","0.2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C132 H116 B2 Fe N6 O2 -","- C120 H88 B2 Fe N6 -","- C480 H352 B8 Fe4 N24 -","4","0.5","","Janetzki, Jett T.; Brown, Dominic S.; Daumann, Florian; Ismail, I. Haseena; Gable, Robert W.; Hay, Moya A.; Mulder, Roger J.; Starikova, Alyona A.; Weber, Birgit; Giansiracusa, Marcus J.; Boskovic, Colette","Thermal- and light-induced valence tautomerism with a concerted spin transition in an iron tris(diimine) complex.","Chemical science","2025","16","14","5857","5871","10.1039/d4sc07798a","","","0.71075","Synchrotron","","0.0454","0.0405","","","0.1163","0.1222","","","","","","1.077","","","","has coordinates","298833","2025-04-05","02:33:27",""
"1573978","27.64","0.006","13.59","0.003","30.52","0.006","90","","113.51","0.03","90","","10513","5","350","0.2","350","0.2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C132 H116 B2 Fe N6 O2 -","- C120 H88 B2 Fe N6 -","- C480 H352 B8 Fe4 N24 -","4","0.5","","Janetzki, Jett T.; Brown, Dominic S.; Daumann, Florian; Ismail, I. Haseena; Gable, Robert W.; Hay, Moya A.; Mulder, Roger J.; Starikova, Alyona A.; Weber, Birgit; Giansiracusa, Marcus J.; Boskovic, Colette","Thermal- and light-induced valence tautomerism with a concerted spin transition in an iron tris(diimine) complex.","Chemical science","2025","16","14","5857","5871","10.1039/d4sc07798a","","","0.71075","Synchrotron","","0.047","0.0398","","","0.1208","0.1276","","","","","","1.073","","","","has coordinates","298833","2025-04-05","02:33:27",""
"1573979","17.0314","0.0002","17.0463","0.0003","21.0901","0.0002","80.916","0.001","69.604","0.001","60.143","0.002","4976.4","0.16","100","0.11","100","0.11","","","","","","","","6","P -1","-P 1","2","","","","- C129 H109 B2 Mn N6 O1.5 -","- C120 H88 B2 Mn N6 -","- C240 H176 B4 Mn2 N12 -","2","1","","Janetzki, Jett T.; Brown, Dominic S.; Daumann, Florian; Ismail, I. Haseena; Gable, Robert W.; Hay, Moya A.; Mulder, Roger J.; Starikova, Alyona A.; Weber, Birgit; Giansiracusa, Marcus J.; Boskovic, Colette","Thermal- and light-induced valence tautomerism with a concerted spin transition in an iron tris(diimine) complex.","Chemical science","2025","16","14","5857","5871","10.1039/d4sc07798a","","x-ray","1.54184","CuKα","","0.0488","0.0428","","","0.1128","0.1181","","","","","","1.101","","","","has coordinates,has disorder","298833","2025-04-05","02:33:27",""
"1573980","7.7089","0.0001","24.161","0.0002","30.34","0.0003","90","","90","","90","","5650.97","0.1","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C40 H29 N O2 -","- C40 H29 N O2 -","- C320 H232 N8 O16 -","8","2","","Sun, Haodong; Xiao, Yuxin; He, Yunfei; Wei, Xiaoyu; Zou, Jindou; Luo, Yuanda; Wu, Yazhang; Zhao, Jiaxin; Au, Vonika Ka-Man; Yu, Tao","3D printable organic room-temperature phosphorescent materials and printed real-time sensing and display devices.","Chemical science","2025","16","12","5299","5309","10.1039/d5sc00316d","","x-ray","1.54184","CuKα","","0.0378","0.0345","","","0.0879","0.0895","","","","","","1.087","","","","has coordinates","299663","2025-05-14","10:18:01",""
"1573981","12.8697","0.0006","26.1356","0.0009","7.9805","0.0003","90","","107.143","0.004","90","","2565.04","0.19","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H23 Cl2 N O2 -","- C33 H23 Cl2 N O2 -","- C132 H92 Cl8 N4 O8 -","4","1","","Sun, Haodong; Xiao, Yuxin; He, Yunfei; Wei, Xiaoyu; Zou, Jindou; Luo, Yuanda; Wu, Yazhang; Zhao, Jiaxin; Au, Vonika Ka-Man; Yu, Tao","3D printable organic room-temperature phosphorescent materials and printed real-time sensing and display devices.","Chemical science","2025","16","12","5299","5309","10.1039/d5sc00316d","","x-ray","0.71073","MoKα","","0.0809","0.0589","","","0.1674","0.1832","","","","","","1.057","","","","has coordinates","298814","2025-04-05","02:26:36",""
"1573982","15.739","0.002","16.068","0.002","13.9254","0.0019","90","","107.433","0.002","90","","3359.9","0.8","296.15","","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H29 N O2 -","- C44 H29 N O2 -","- C176 H116 N4 O8 -","4","1","","Sun, Haodong; Xiao, Yuxin; He, Yunfei; Wei, Xiaoyu; Zou, Jindou; Luo, Yuanda; Wu, Yazhang; Zhao, Jiaxin; Au, Vonika Ka-Man; Yu, Tao","3D printable organic room-temperature phosphorescent materials and printed real-time sensing and display devices.","Chemical science","2025","16","12","5299","5309","10.1039/d5sc00316d","","","0.71073","MoKα","","0.2009","0.0791","","","0.2182","0.2976","","","","","","0.936","","","","has coordinates","298814","2025-04-05","02:26:36",""
"1573985","10.0719","0.0004","10.9585","0.0005","18.5142","0.0008","90","","90","","90","","2043.47","0.15","170","","170","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C12 H33 B11 N2 O2 -","- C12 H33 B11 N2 O2 -","- C48 H132 B44 N8 O8 -","4","0.5","","Sun, Wanqi; Jin, Yujie; Wang, Yongtao; Wen, Zeyu; Sun, Jizeng; Yao, Jia; Duttwyler, Simon; Li, Haoran","Oxidation-induced nucleophilic substitution at the electron-rich B(12) vertex in [CB<sub>11</sub>H<sub>12</sub>]<sup>-</sup> under catalyst-free conditions.","Chemical science","2025","16","14","5942","5947","10.1039/d5sc00234f","","","1.34139","GaKα","","0.0746","0.0562","","","0.1574","0.1719","","","","","","1.053","","","","has coordinates,has disorder","298787","2025-04-05","02:19:17",""
"1573986","10.4232","0.0006","11.4832","0.0008","14.7581","0.0009","93.391","0.004","94.642","0.004","91.388","0.004","1756.8","0.19","170","","170","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H55 B11 N2 O7 -","- C24 H55 B11 N2 O7 -","- C48 H110 B22 N4 O14 -","2","1","","Sun, Wanqi; Jin, Yujie; Wang, Yongtao; Wen, Zeyu; Sun, Jizeng; Yao, Jia; Duttwyler, Simon; Li, Haoran","Oxidation-induced nucleophilic substitution at the electron-rich B(12) vertex in [CB<sub>11</sub>H<sub>12</sub>]<sup>-</sup> under catalyst-free conditions.","Chemical science","2025","16","14","5942","5947","10.1039/d5sc00234f","","","1.34139","GaKα","","0.1875","0.0781","","","0.1772","0.2293","","","","","","0.94","","","","has coordinates","298787","2025-04-05","02:19:17",""
"1573987","23.2378","0.0009","9.4437","0.0004","17.9211","0.0007","90","","109.429","0.001","90","","3708.8","0.3","170","","170","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H53 B11 Cl6 N2 O2 -","- C21 H53 B11 Cl6 N2 O2 -","- C84 H212 B44 Cl24 N8 O8 -","4","1","","Sun, Wanqi; Jin, Yujie; Wang, Yongtao; Wen, Zeyu; Sun, Jizeng; Yao, Jia; Duttwyler, Simon; Li, Haoran","Oxidation-induced nucleophilic substitution at the electron-rich B(12) vertex in [CB<sub>11</sub>H<sub>12</sub>]<sup>-</sup> under catalyst-free conditions.","Chemical science","2025","16","14","5942","5947","10.1039/d5sc00234f","","","1.34139","GaKα","","0.0545","0.0445","","","0.1182","0.1248","","","","","","1.053","","","","has coordinates","298787","2025-04-05","02:19:17",""
"1573988","13.1967","0.0005","22.4636","0.0008","20.8837","0.0008","90","","92.836","0.002","90","","6183.3","0.4","170","","170","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H54 B11 N3 O2 -","- C21 H54 B11 N3 O2 -","- C168 H432 B88 N24 O16 -","8","2","","Sun, Wanqi; Jin, Yujie; Wang, Yongtao; Wen, Zeyu; Sun, Jizeng; Yao, Jia; Duttwyler, Simon; Li, Haoran","Oxidation-induced nucleophilic substitution at the electron-rich B(12) vertex in [CB<sub>11</sub>H<sub>12</sub>]<sup>-</sup> under catalyst-free conditions.","Chemical science","2025","16","14","5942","5947","10.1039/d5sc00234f","","x-ray","1.34139","GaKα","","0.0579","0.0457","","","0.1216","0.1305","","","","","","1.037","","","","has coordinates","298787","2025-04-05","02:19:17",""
"1573989","7.613","0.0005","8.5829","0.0004","12.8193","0.0007","80.36","0.004","73.628","0.005","82.082","0.005","788.68","0.08","219.99","0.1","219.99","0.1","","","","","","","","5","P 1","P 1","1","","","","- C18 H15 Br Fe O2 -","- C18 H15 Br Fe O2 -","- C36 H30 Br2 Fe2 O4 -","2","2","","Hang, Nan-Nan; Tong, En-Guang; Qi, Ting; Sun, Chao; Ming, Jialin","Asymmetric synthesis of metallocenes with planar and central chirality by rhodium-catalyzed desymmetrization reactions.","Chemical science","2025","16","14","5880","5886","10.1039/d5sc00158g","","x-ray","1.54184","CuKα","","0.0507","0.0445","","","0.1133","0.1195","","","","","","1.08","","","","has coordinates","298832","2025-04-05","02:32:44",""
"1573990","7.79663","0.00015","10.5671","0.0002","18.0745","0.0003","90","","101.425","0.0018","90","","1459.61","0.05","160","1","160","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H17 N2 O4 Re S2 -","- C10 H17 N2 O4 Re S2 -","- C40 H68 N8 O16 Re4 S8 -","4","1","","Melis, Diana R.; Segers, Charlotte; Wellens, Jasmien; Van de Voorde, Michiel; Blacque, Olivier; Ooms, Maarten; Gasser, Gilles; Opsomer, Tomas","Cysteine-selective [<sup>188</sup>Re]Re(v) radiolabelling of a Nanobody® for targeted radionuclide therapy using a ""chelate-then-click"" approach.","Chemical science","2025","16","14","6089","6098","10.1039/d4sc07743a","","x-ray","1.54184","CuKα","","0.0271","0.0266","","","0.0578","0.058","","","","","","1.276","","","","has coordinates,has disorder","298785","2025-04-05","02:18:26",""
"1573991","27.8226","0.0004","20.249","0.0003","8.86174","0.00014","90","","90","","90","","4992.53","0.13","160","0.1","160","0.1","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C8 H13 N2 O4 Re S2 -","- C8 H13 N2 O4 Re S2 -","- C128 H208 N32 O64 Re16 S32 -","16","1","","Melis, Diana R.; Segers, Charlotte; Wellens, Jasmien; Van de Voorde, Michiel; Blacque, Olivier; Ooms, Maarten; Gasser, Gilles; Opsomer, Tomas","Cysteine-selective [<sup>188</sup>Re]Re(v) radiolabelling of a Nanobody® for targeted radionuclide therapy using a ""chelate-then-click"" approach.","Chemical science","2025","16","14","6089","6098","10.1039/d4sc07743a","","x-ray","1.54184","CuKα","","0.0298","0.0298","","","0.0752","0.0753","","","","","","1.043","","","","has coordinates","298785","2025-04-05","02:18:26",""
"1573992","11.0941","0.0004","22.838","0.0009","15.192","0.0006","90","","93.182","0.002","90","","3843.2","0.3","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H42 Co F3 N2 P4 -","- C42 H42 Co F3 N2 P4 -","- C168 H168 Co4 F12 N8 P16 -","4","1","","Fitzsimmons, Matthew C.; Seith, Maria C.; Moore, Curtis E.; Thomas, Christine M.","Efficient and selective hydroboration of alkenes catalyzed by an air-stable (PP<sup>CF3</sup>P)CoI<sub>2</sub> precatalyst.","Chemical science","2025","16","13","5717","5725","10.1039/d4sc08818b","","x-ray","0.71073","MoKα","K-L~3~","0.0519","0.045","","","0.1092","0.1134","","","","","","1.149","","","","has coordinates","298798","2025-04-05","02:22:36",""
"1573993","12.5715","0.0006","13.3397","0.0006","15.6881","0.0008","87.496","0.002","73.663","0.002","62.081","0.001","2218.77","0.19","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C41.5 H37 Cl5 Co F3 I2 N2 P3 -","- C41.5 H37 Cl5 Co F3 I2 N2 P3 -","- C83 H74 Cl10 Co2 F6 I4 N4 P6 -","2","1","","Fitzsimmons, Matthew C.; Seith, Maria C.; Moore, Curtis E.; Thomas, Christine M.","Efficient and selective hydroboration of alkenes catalyzed by an air-stable (PP<sup>CF3</sup>P)CoI<sub>2</sub> precatalyst.","Chemical science","2025","16","13","5717","5725","10.1039/d4sc08818b","","x-ray","0.71073","MoKα","K-L~3~","0.0321","0.0241","","","0.0518","0.0553","","","","","","1.026","","","","has coordinates,has disorder","298798","2025-04-05","02:22:36",""
"1573994","24.0754","0.0015","12.3634","0.0008","34.026","0.002","90","","90","","90","","10128","1.1","100","","100","","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C55 H57 Co F3 N2 O2 P3 -","- C47 H41 Co F3 N2 P3 -","- C376 H328 Co8 F24 N16 P24 -","8","2","","Fitzsimmons, Matthew C.; Seith, Maria C.; Moore, Curtis E.; Thomas, Christine M.","Efficient and selective hydroboration of alkenes catalyzed by an air-stable (PP<sup>CF3</sup>P)CoI<sub>2</sub> precatalyst.","Chemical science","2025","16","13","5717","5725","10.1039/d4sc08818b","","x-ray","0.71073","MoKα","K-L~3~","0.0719","0.0451","","","0.0911","0.0986","","","","","","1.028","","","","has coordinates","298798","2025-04-05","02:22:36",""
"1573995","11.0055","0.0004","12.1682","0.0005","14.8532","0.0006","90","","104.525","0.002","90","","1925.52","0.13","223","","223","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H18 N2 O3 S -","- C23 H18 N2 O3 S -","- C92 H72 N8 O12 S4 -","4","1","","Gu, Jun; Zhang, Li-Hong; Zhuang, Hong-Feng; He, Ying","Atroposelective [4+1] annulation for the synthesis of isotopic isoindolinones bearing both central and axial chirality.","Chemical science","2025","16","13","5735","5744","10.1039/d5sc00594a","","","1.54178","CuKα","","0.036","0.0327","","","0.0868","0.088","","","","","","1.068","","","","has coordinates","298802","2025-04-05","02:23:23",""
"1573996","8.843","0.0001","12.33","0.0002","18.0497","0.0002","90","","90","","90","","1968.03","0.04","193.15","","193.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H20 N2 O3 S -","- C23 H20 N2 O3 S -","- C92 H80 N8 O12 S4 -","4","1","","Gu, Jun; Zhang, Li-Hong; Zhuang, Hong-Feng; He, Ying","Atroposelective [4+1] annulation for the synthesis of isotopic isoindolinones bearing both central and axial chirality.","Chemical science","2025","16","13","5735","5744","10.1039/d5sc00594a","","","1.54184","CuKα","","0.0255","0.0251","","","0.0668","0.0672","","","","","","1.075","","","","has coordinates","298802","2025-04-05","02:23:24",""
"1573997","8.3879","0.0008","12.8676","0.0013","9.7824","0.001","90","","111.619","0.003","90","","981.56","0.17","193","","193","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H18 N2 O3 S -","- C23 H18 N2 O3 S -","- C46 H36 N4 O6 S2 -","2","1","","Gu, Jun; Zhang, Li-Hong; Zhuang, Hong-Feng; He, Ying","Atroposelective [4+1] annulation for the synthesis of isotopic isoindolinones bearing both central and axial chirality.","Chemical science","2025","16","13","5735","5744","10.1039/d5sc00594a","","","1.54178","CuKα","","0.0247","0.0246","","","0.0596","0.0596","","","","","","1.076","","","","has coordinates","298802","2025-04-05","02:23:24",""
"1573998","8.3907","0.0004","12.8791","0.0006","9.7624","0.0004","90","","111.393","0.001","90","","982.28","0.08","193","","193","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H18 N2 O3 S -","- C23 H18 N2 O3 S -","- C46 H36 N4 O6 S2 -","2","1","","Gu, Jun; Zhang, Li-Hong; Zhuang, Hong-Feng; He, Ying","Atroposelective [4+1] annulation for the synthesis of isotopic isoindolinones bearing both central and axial chirality.","Chemical science","2025","16","13","5735","5744","10.1039/d5sc00594a","","","1.54178","CuKα","","0.0267","0.0266","","","0.0666","0.0667","","","","","","1.098","","","","has coordinates","298802","2025-04-05","02:23:24",""
"1573999","20.9199","0.0003","20.9199","0.0003","20.9199","0.0003","90","","90","","90","","9155.4","0.2","100","","100","","","","","","","","","7","P n -3 :2","-P 2ab 2bc 3","201","","","","- C10 H15.5 Ag2 F3 N O3.25 S -","- C10 H13 Ag2 F3 N O2 S -","- C240 H312 Ag48 F72 N24 O48 S24 -","24","1","","Chandrashekar, Priyanka; Karmakar, Arun; Aparna, Ravari Kandy; Singh, Laddi; Mondal, Pradip Kumar; Kundu, Subrata; Bhattacharyya, Kalishankar; Mandal, Sukhendu","Linker driven site-specific catalysis in atomically precise silver cluster assemblies.","Chemical science","2025","16","13","5726","5734","10.1039/d4sc08408j","","","0.71073","MoKα","","0.0341","0.0313","","","0.0694","0.0716","","","","","","1.032","","","","has coordinates","298800","2025-04-05","02:23:04",""
"1574000","25.337","0.005","24.666","0.005","19.661","0.004","90","","109.96","0.03","90","","11549","5","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C45 H58 Ag6 F9 N4 O7 S3 -","- C45 H58 Ag6 F9 N4 O7 S3 -","- C360 H464 Ag48 F72 N32 O56 S24 -","8","1","","Chandrashekar, Priyanka; Karmakar, Arun; Aparna, Ravari Kandy; Singh, Laddi; Mondal, Pradip Kumar; Kundu, Subrata; Bhattacharyya, Kalishankar; Mandal, Sukhendu","Linker driven site-specific catalysis in atomically precise silver cluster assemblies.","Chemical science","2025","16","13","5726","5734","10.1039/d4sc08408j","","","0.7","Synchrotron","","0.0439","0.0399","","","0.1114","0.1144","","","","","","1.005","","","","has coordinates,has disorder","298800","2025-04-05","02:23:05",""
"1574001","26.994","0.005","14.021","0.003","29.259","0.006","90","","92.57","0.03","90","","11063","4","90","","90","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C42 H52 Ag6 F9 N7 O7 S3 -","- C42 H52 Ag6 F9 N7 O7 S3 -","- C336 H416 Ag48 F72 N56 O56 S24 -","8","1","","Chandrashekar, Priyanka; Karmakar, Arun; Aparna, Ravari Kandy; Singh, Laddi; Mondal, Pradip Kumar; Kundu, Subrata; Bhattacharyya, Kalishankar; Mandal, Sukhendu","Linker driven site-specific catalysis in atomically precise silver cluster assemblies.","Chemical science","2025","16","13","5726","5734","10.1039/d4sc08408j","","","0.7","Synchrotron","","0.068","0.0626","","","0.186","0.1931","","","","","","1.068","","","","has coordinates,has disorder","298800","2025-04-05","02:23:05",""
"1574002","22.946","0.005","27.85","0.006","18.982","0.004","90","","90","","90","","12130","5","100","","100","","","","","","","","","7","P n n m","-P 2 2n","58","","","","- C39 H45 Ag6 F9 N3 O6 S3 -","- C39 H45 Ag6 F9 N3 O6 S3 -","- C312 H360 Ag48 F72 N24 O48 S24 -","8","1","","Chandrashekar, Priyanka; Karmakar, Arun; Aparna, Ravari Kandy; Singh, Laddi; Mondal, Pradip Kumar; Kundu, Subrata; Bhattacharyya, Kalishankar; Mandal, Sukhendu","Linker driven site-specific catalysis in atomically precise silver cluster assemblies.","Chemical science","2025","16","13","5726","5734","10.1039/d4sc08408j","","","0.7","Synchrotron","","0.0993","0.0848","","","0.2608","0.2755","","","","","","1.112","","","","has coordinates,has disorder","298800","2025-04-05","02:23:05",""
"1574010","9.1568","0.0001","11.115","0.0001","26.1678","0.0003","90","","95.763","0.001","90","","2649.84","0.05","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H42 B N O -","- C30 H42 B N O -","- C120 H168 B4 N4 O4 -","4","1","","Michel, Maximilian; Endres, Lukas; Fantuzzi, Felipe; Krummenacher, Ivo; Braunschweig, Holger","Harnessing transient CAAC-stabilized mesitylborylenes for chalcogen activation.","Chemical science","2025","16","13","5632","5639","10.1039/d5sc00154d","","x-ray","1.54184","CuKα","K-L~2,3~","0.0555","0.049","","","0.1338","0.1388","","","","","","1.06","","","","has coordinates","298805","2025-04-05","02:24:06",""
"1574011","14.2386","0.0001","14.0447","0.0001","15.3868","0.0001","90","","90","","90","","3077","0.04","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C33 H50 B N O Se -","- C33 H50 B N O Se -","- C132 H200 B4 N4 O4 Se4 -","4","1","","Michel, Maximilian; Endres, Lukas; Fantuzzi, Felipe; Krummenacher, Ivo; Braunschweig, Holger","Harnessing transient CAAC-stabilized mesitylborylenes for chalcogen activation.","Chemical science","2025","16","13","5632","5639","10.1039/d5sc00154d","","x-ray","1.54184","CuKα","K-L~2,3~","0.0371","0.035","","","0.095","0.0964","","","","","","1.108","","","","has coordinates,has disorder","298805","2025-04-05","02:24:07",""
"1574012","9.6984","0.0001","11.0467","0.0002","14.5864","0.0002","96.819","0.001","105.427","0.001","92.382","0.001","1491.38","0.04","100","2","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C32 H51 B N P -","- C32 H51 B N P -","- C64 H102 B2 N2 P2 -","2","1","","Michel, Maximilian; Endres, Lukas; Fantuzzi, Felipe; Krummenacher, Ivo; Braunschweig, Holger","Harnessing transient CAAC-stabilized mesitylborylenes for chalcogen activation.","Chemical science","2025","16","13","5632","5639","10.1039/d5sc00154d","","","1.54184","CuKα","","0.038","0.037","","","0.0993","0.1001","","","","","","1.037","","","","has coordinates","298805","2025-04-05","02:24:07",""
"1574013","10.7762","0.0002","16.8779","0.0003","24.5726","0.0003","81.439","0.001","86.226","0.001","88.794","0.001","4409.59","0.13","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C45 H74 B Li2 N O4 Se -","- C45 H74 B Li2 N O4 Se -","- C180 H296 B4 Li8 N4 O16 Se4 -","4","2","","Michel, Maximilian; Endres, Lukas; Fantuzzi, Felipe; Krummenacher, Ivo; Braunschweig, Holger","Harnessing transient CAAC-stabilized mesitylborylenes for chalcogen activation.","Chemical science","2025","16","13","5632","5639","10.1039/d5sc00154d","","x-ray","1.54184","CuKα","K-L~2,3~","0.0703","0.0577","","","0.153","0.1619","","","","","","1.066","","","","has coordinates,has disorder","298805","2025-04-05","02:24:07",""
"1574014","10.1565","0.0001","10.3469","0.0001","14.2245","0.0001","69.78","0.001","80.935","0.001","81.899","0.001","1379.14","0.02","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H84 B2 N2 Te2 -","- C58 H84 B2 N2 Te2 -","- C58 H84 B2 N2 Te2 -","1","0.5","","Michel, Maximilian; Endres, Lukas; Fantuzzi, Felipe; Krummenacher, Ivo; Braunschweig, Holger","Harnessing transient CAAC-stabilized mesitylborylenes for chalcogen activation.","Chemical science","2025","16","13","5632","5639","10.1039/d5sc00154d","","x-ray","1.54184","CuKα","K-L~2,3~","0.0345","0.0334","","","0.0957","0.0965","","","","","","1.127","","","","has coordinates","298805","2025-04-05","02:24:07",""
"1574015","12.7992","0.0001","16.2783","0.0001","17.3761","0.0001","106.637","0.001","94.029","0.001","96.39","0.001","3427.31","0.05","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C64 H88 B2 F7.79 N2 P0.96 Te2 -","- C64 H88 B2 F7.796 N2 P0.966 Te2 -","- C128 H176 B4 F15.592 N4 P1.932 Te4 -","2","1","","Michel, Maximilian; Endres, Lukas; Fantuzzi, Felipe; Krummenacher, Ivo; Braunschweig, Holger","Harnessing transient CAAC-stabilized mesitylborylenes for chalcogen activation.","Chemical science","2025","16","13","5632","5639","10.1039/d5sc00154d","","x-ray","1.54184","CuKα","K-L~2,3~","0.0349","0.0323","","","0.0871","0.0884","","","","","","1.125","","","","has coordinates,has disorder","298805","2025-04-05","02:24:07",""
"1574016","18.006","0.0001","8.4637","0.0001","17.399","0.0001","90","","93.337","0.001","90","","2647.07","0.04","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H42 B N S -","- C29 H42 B N S -","- C116 H168 B4 N4 S4 -","4","1","","Michel, Maximilian; Endres, Lukas; Fantuzzi, Felipe; Krummenacher, Ivo; Braunschweig, Holger","Harnessing transient CAAC-stabilized mesitylborylenes for chalcogen activation.","Chemical science","2025","16","13","5632","5639","10.1039/d5sc00154d","","x-ray","1.54184","CuKα","K-L~2,3~","0.0406","0.0373","","","0.0994","0.1016","","","","","","1.049","","","","has coordinates","298805","2025-04-05","02:24:07",""
"1574017","10.5609","0.0003","13.0367","0.0004","14.8835","0.0004","82.383","0.002","79.577","0.002","68.461","0.002","1869.7","0.1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C74 H116 B2 Li2 N2 O4 S2 -","- C74 H116 B2 Li2 N2 O4 S2 -","- C74 H116 B2 Li2 N2 O4 S2 -","1","0.5","","Michel, Maximilian; Endres, Lukas; Fantuzzi, Felipe; Krummenacher, Ivo; Braunschweig, Holger","Harnessing transient CAAC-stabilized mesitylborylenes for chalcogen activation.","Chemical science","2025","16","13","5632","5639","10.1039/d5sc00154d","","x-ray","1.54184","CuKα","K-L~2,3~","0.0635","0.0586","","","0.162","0.1664","","","","","","1.048","","","","has coordinates,has disorder","298805","2025-04-05","02:24:07",""
"1574018","10.6514","0.0001","21.0348","0.0002","16.8392","0.0002","90","","106.025","0.001","90","","3626.22","0.07","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C70 H108 B2 Li4 N2 O3 S2 -","- C70 H108 B2 Li4 N2 O3 S2 -","- C140 H216 B4 Li8 N4 O6 S4 -","2","1","","Michel, Maximilian; Endres, Lukas; Fantuzzi, Felipe; Krummenacher, Ivo; Braunschweig, Holger","Harnessing transient CAAC-stabilized mesitylborylenes for chalcogen activation.","Chemical science","2025","16","13","5632","5639","10.1039/d5sc00154d","","x-ray","1.54184","CuKα","K-L~2,3~","0.0294","0.0288","","","0.0759","0.0763","","","","","","1.022","","","","has coordinates,has disorder","298805","2025-04-05","02:24:07",""
"1574019","10.7784","0.0001","16.9121","0.0001","24.8131","0.0001","82.133","0.001","86.65","","88.61","","4472.24","0.05","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C45 H74 B Li2 N O4 Te -","- C45 H74 B Li2 N O4 Te -","- C180 H296 B4 Li8 N4 O16 Te4 -","4","2","","Michel, Maximilian; Endres, Lukas; Fantuzzi, Felipe; Krummenacher, Ivo; Braunschweig, Holger","Harnessing transient CAAC-stabilized mesitylborylenes for chalcogen activation.","Chemical science","2025","16","13","5632","5639","10.1039/d5sc00154d","","x-ray","1.54184","CuKα","K-L~2,3~","0.0285","0.0258","","","0.0693","0.0711","","","","","","1.074","","","","has coordinates,has disorder","298805","2025-04-05","02:24:07",""
"1574024","13.9391","0.0009","11.2303","0.0007","20.3661","0.0013","90","","104.938","0.002","90","","3080.4","0.3","297","2","297","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 B N3 -","- C18 H18 B N3 -","- C144 H144 B8 N24 -","8","2","","Parui, Retwik; Roy, Hirakjyoti; Meher, Niranjan; Ghosh, Siddhartha Sankar; Iyer, Parameswar Krishnan","Mechanistic investigation on cellular internalization triggering structure-induced conformational modulation of boron-nitrogen luminogens.","Chemical science","2025","16","14","6023","6034","10.1039/d4sc08296f","","","0.71073","MoKα","","0.0777","0.0543","","","0.1597","0.2005","","","","","","1.243","","","","has coordinates","298831","2025-04-05","02:32:31",""
"1574025","4.7299","0.0007","10.3015","0.0015","13.5889","0.0019","90","","96.628","0.004","90","","657.69","0.16","300","2","300","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H12 B Cl N2 -","- C16 H12 B Cl N2 -","- C32 H24 B2 Cl2 N4 -","2","1","","Parui, Retwik; Roy, Hirakjyoti; Meher, Niranjan; Ghosh, Siddhartha Sankar; Iyer, Parameswar Krishnan","Mechanistic investigation on cellular internalization triggering structure-induced conformational modulation of boron-nitrogen luminogens.","Chemical science","2025","16","14","6023","6034","10.1039/d4sc08296f","","","0.71073","MoKα","","0.0306","0.0289","","","0.076","0.0824","","","","","","1.07","","","","has coordinates","298831","2025-04-05","02:32:32",""
"1574026","22.7941","0.0012","22.7941","0.0012","5.0803","0.0004","90","","90","","90","","2639.6","0.3","273","2","273","2","","","","","","","","5","I -4","I -4","82","","","","- C16 H12 B F N2 -","- C16 H12 B F N2 -","- C128 H96 B8 F8 N16 -","8","1","","Parui, Retwik; Roy, Hirakjyoti; Meher, Niranjan; Ghosh, Siddhartha Sankar; Iyer, Parameswar Krishnan","Mechanistic investigation on cellular internalization triggering structure-induced conformational modulation of boron-nitrogen luminogens.","Chemical science","2025","16","14","6023","6034","10.1039/d4sc08296f","","","0.71073","MoKα","","0.1079","0.0604","","","0.1401","0.1786","","","","","","1.177","","","","has coordinates","298831","2025-04-05","02:32:32",""
"1574027","12.963","0.009","6.412","0.004","16.767","0.011","90","","92.356","0.019","90","","1392.5","1.6","297","2","297","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H12 B Br N2 -","- C16 H12 B Br N2 -","- C64 H48 B4 Br4 N8 -","4","1","","Parui, Retwik; Roy, Hirakjyoti; Meher, Niranjan; Ghosh, Siddhartha Sankar; Iyer, Parameswar Krishnan","Mechanistic investigation on cellular internalization triggering structure-induced conformational modulation of boron-nitrogen luminogens.","Chemical science","2025","16","14","6023","6034","10.1039/d4sc08296f","","","0.71073","MoKα","","0.0521","0.0428","","","0.1296","0.1379","","","","","","1.061","","","","has coordinates","298831","2025-04-05","02:32:32",""
"1574028","8.2259","0.0007","26.151","0.002","19.2586","0.0017","90","","95.282","0.002","90","","4125.2","0.6","273","2","273.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H12 B N3 -","- C17 H12 B N3 -","- C204 H144 B12 N36 -","12","3","","Parui, Retwik; Roy, Hirakjyoti; Meher, Niranjan; Ghosh, Siddhartha Sankar; Iyer, Parameswar Krishnan","Mechanistic investigation on cellular internalization triggering structure-induced conformational modulation of boron-nitrogen luminogens.","Chemical science","2025","16","14","6023","6034","10.1039/d4sc08296f","","","0.71073","MoKα","","0.1229","0.0849","","","0.1557","0.1811","","","","","","1.154","","","","has coordinates","298831","2025-04-05","02:32:32",""
"1574039","5.872","0.003","7.735","0.003","20.137","0.003","98.57","0.02","97.62","0.02","91.31","0.03","895.6","0.6","149.99","0.1","149.99","0.1","","","","","","","","5","P 1","P 1","1","","","","- C20 H17 Cl N2 O3 -","- C20 H17 Cl N2 O3 -","- C40 H34 Cl2 N4 O6 -","2","2","","Tian, Jiabao; Ling, Jiahao; Wang, Yanan; Zhou, Lei","Blue light-induced diazo cross-coupling: synthesis of allyldiazo compounds through reshuffling of functionalities.","Chemical science","2025","16","13","5701","5706","10.1039/d5sc00277j","","x-ray","1.54184","CuKα","","0.0641","0.0582","","","0.1722","0.1779","","","","","","1.079","","","","has coordinates","298803","2025-04-05","02:23:34",""
"1574040","7.6916","0.0004","5.838","0.0003","40.645","0.002","90","","90","","90","","1825.11","0.16","150","","150","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C20 H17 Cl N2 O3 -","- C20 H17 Cl N2 O3 -","- C80 H68 Cl4 N8 O12 -","4","1","","Tian, Jiabao; Ling, Jiahao; Wang, Yanan; Zhou, Lei","Blue light-induced diazo cross-coupling: synthesis of allyldiazo compounds through reshuffling of functionalities.","Chemical science","2025","16","13","5701","5706","10.1039/d5sc00277j","","","1.34138","GaKα","","0.036","0.0312","","","0.0825","0.0851","","","","","","1.086","","","","has coordinates","298803","2025-04-05","02:23:34",""
"1574041","20.171","0.005","9.765","0.004","39.079","0.011","90","","99.308","0.011","90","","7596","4","150","","150","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C21 H19 Cl N2 O3 -","- C21 H19 Cl N2 O3 -","- C336 H304 Cl16 N32 O48 -","16","4","","Tian, Jiabao; Ling, Jiahao; Wang, Yanan; Zhou, Lei","Blue light-induced diazo cross-coupling: synthesis of allyldiazo compounds through reshuffling of functionalities.","Chemical science","2025","16","13","5701","5706","10.1039/d5sc00277j","","","1.34138","GaKα","","0.0745","0.0588","","","0.1624","0.1768","","","","","","1.088","","","","has coordinates","298803","2025-04-05","02:23:34",""
"1574042","9.9528","0.0003","10.6897","0.0003","16.8353","0.0005","90","","90","","90","","1791.15","0.09","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 N O P -","- C18 H22 N O P -","- C72 H88 N4 O4 P4 -","4","1","","Zhang, Jialiang; Guo, Jiajia; Xu, Ruhui; Zheng, Di; Lian, Kai; Zhang, Zhaoxia; Cao, Shanshan; Jiang, Zhiyong","Asymmetric copper-catalyzed hydrophosphinylation of ethynylazaarenes to access <i>P</i>-chiral 2-azaaryl-ethylphosphine oxides.","Chemical science","2025","16","14","5957","5966","10.1039/d5sc00358j","","x-ray","1.54184","CuKα","","0.0546","0.0506","","","0.135","0.1411","","","","","","1.058","","","","has coordinates","298830","2025-04-05","02:32:18",""
"1574043","7.5983","0.0002","14.6061","0.0003","25.287","0.0006","90","","90","","90","","2806.39","0.11","296.15","","296.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","orthorhombic","","- C31 H48 O4 -","- C31 H48 O4 -","- C124 H192 O16 -","4","1","","Dethe, Dattatraya H.; Siddiqui, Salman A.; Singha, Chirantan","Biomimetic syntheses of kadcoccitane H and kadcotrione C methyl ester.","Chemical science","2025","16","14","6099","6103","10.1039/d5sc00669d","","","0.71073","MoKα","","0.0518","0.0457","","","0.1201","0.124","","","","","","1.0373","","","","has coordinates","298827","2025-04-05","02:30:42",""
"1574044","12.1955","0.0007","27.6141","0.0012","7.7042","0.0004","90","","93.382","0.004","90","","2590","0.2","120","0.1","120","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9.82 H5.45 Ce0.36 O2.18 -","- C9.81818 H5.45455 Ce0.363636 O2.18182 -","- C108 H60 Ce4 O24 -","11","2.75","","Gómez-Muñoz, Iván; Hu, Ziqi; Vitórica-Yrezábal, Iñigo J; Coronado, Eugenio; Mínguez Espallargas, Guillermo","Implementing magnetic properties on demand with a dynamic lanthanoid-organic framework.","Chemical science","2025","16","6","2879","2885","10.1039/d4sc07042a","","x-ray","0.71073","MoKα","","0.1586","0.0745","","","0.1236","0.161","","","","","","1.032","","","","has coordinates","297953","2025-03-04","00:56:23",""
"1574045","12.1008","0.0004","27.7464","0.0008","7.8237","0.0002","90","","93.673","0.003","90","","2621.44","0.13","120.15","","120.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H15.8 La O6.4 -","- C27 H15 La O6 -","- C108 H60 La4 O24 -","4","1","","Gómez-Muñoz, Iván; Hu, Ziqi; Vitórica-Yrezábal, Iñigo J; Coronado, Eugenio; Mínguez Espallargas, Guillermo","Implementing magnetic properties on demand with a dynamic lanthanoid-organic framework.","Chemical science","2025","16","6","2879","2885","10.1039/d4sc07042a","","x-ray","0.71073","MoKα","","0.1508","0.0956","","","0.2867","0.3031","","","","","","1.122","","","","has coordinates","297953","2025-03-04","00:56:25",""
"1574046","8.0212","0.0005","26.89","0.002","16.3817","0.0018","90","","92.297","0.008","90","","3530.5","0.5","120","0.1","120","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H37 Dy N3 O9.5 -","- C36 H37 Dy N3 O9.5 -","- C144 H148 Dy4 N12 O38 -","4","2","","Gómez-Muñoz, Iván; Hu, Ziqi; Vitórica-Yrezábal, Iñigo J; Coronado, Eugenio; Mínguez Espallargas, Guillermo","Implementing magnetic properties on demand with a dynamic lanthanoid-organic framework.","Chemical science","2025","16","6","2879","2885","10.1039/d4sc07042a","","x-ray","0.71073","MoKα","","0.0735","0.0505","","","0.0734","0.0785","","","","","","0.79","","","","has coordinates","297953","2025-03-04","00:56:25",""
"1574047","16.7495","0.0003","26.5927","0.0006","8.4965","0.0002","90","","95.014","0.002","90","","3769.98","0.14","119.8","0.3","119.8","0.3","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35.26 H34.26 La N2.75 O8.75 -","- C32.25 H27.25 La N1.75 O7.75 -","- C129 H109 La4 N7 O31 -","4","1","","Gómez-Muñoz, Iván; Hu, Ziqi; Vitórica-Yrezábal, Iñigo J; Coronado, Eugenio; Mínguez Espallargas, Guillermo","Implementing magnetic properties on demand with a dynamic lanthanoid-organic framework.","Chemical science","2025","16","6","2879","2885","10.1039/d4sc07042a","","x-ray","0.71073","MoKα","","0.1155","0.0811","","","0.1908","0.2083","","","","","","1.047","","","","has coordinates,has disorder","297953","2025-03-04","00:56:27",""
"1574048","15.0013","0.0006","27.7449","0.0009","16.1774","0.0009","90","","97.287","0.004","90","","6678.8","0.5","119.5","0.8","119.5","0.8","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33.3 H29.7 La N2.1 O8.1 -","- C31.5 H25.5 La N1.5 O7.5 -","- C252 H204 La8 N12 O60 -","8","2","","Gómez-Muñoz, Iván; Hu, Ziqi; Vitórica-Yrezábal, Iñigo J; Coronado, Eugenio; Mínguez Espallargas, Guillermo","Implementing magnetic properties on demand with a dynamic lanthanoid-organic framework.","Chemical science","2025","16","6","2879","2885","10.1039/d4sc07042a","","x-ray","0.71073","MoKα","","0.1347","0.0807","","","0.2073","0.231","","","","","","0.978","","","","has coordinates,has disorder","297953","2025-03-04","00:56:30",""
"1574049","15.0438","0.0003","28.0476","0.0006","16.0831","0.0004","90","","97.259","0.002","90","","6731.8","0.3","119.9","0.8","119.9","0.8","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31.5 H27.5 N1.5 O8.5 Pr -","- C31.5 H25.5 N1.5 O7.5 Pr -","- C252 H204 N12 O60 Pr8 -","8","2","","Gómez-Muñoz, Iván; Hu, Ziqi; Vitórica-Yrezábal, Iñigo J; Coronado, Eugenio; Mínguez Espallargas, Guillermo","Implementing magnetic properties on demand with a dynamic lanthanoid-organic framework.","Chemical science","2025","16","6","2879","2885","10.1039/d4sc07042a","","x-ray","0.71073","MoKα","","0.0755","0.0503","","","0.1059","0.1209","","","","","","1.052","","","","has coordinates,has disorder","297953","2025-03-04","00:56:31",""
"1574050","15.0927","0.0003","27.9263","0.0005","16.165","0.0003","90","","97.249","0.002","90","","6758.8","0.2","120","0.1","120","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32.55 H27.95 Ce N1.85 O7.85 -","- C31.5 H25.5 Ce N1.5 O7.5 -","- C252 H204 Ce8 N12 O60 -","8","2","","Gómez-Muñoz, Iván; Hu, Ziqi; Vitórica-Yrezábal, Iñigo J; Coronado, Eugenio; Mínguez Espallargas, Guillermo","Implementing magnetic properties on demand with a dynamic lanthanoid-organic framework.","Chemical science","2025","16","6","2879","2885","10.1039/d4sc07042a","","x-ray","0.71073","MoKα","","0.0734","0.047","","","0.1102","0.1214","","","","","","1.046","","","","has coordinates,has disorder","297953","2025-03-04","00:56:33",""
"1574051","15.4232","0.0006","20.5544","0.0009","32.285","0.0011","90","","94.546","0.004","90","","10202.6","0.7","119.99","0.1","119.99","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28.32 H21.49 La N0.44 O8.15 -","- C28.3035 H18.6725 La N0.4345 O6.75 -","- C452.856 H298.76 La16 N6.952 O108 -","16","4","","Gómez-Muñoz, Iván; Hu, Ziqi; Vitórica-Yrezábal, Iñigo J; Coronado, Eugenio; Mínguez Espallargas, Guillermo","Implementing magnetic properties on demand with a dynamic lanthanoid-organic framework.","Chemical science","2025","16","6","2879","2885","10.1039/d4sc07042a","","x-ray","1.54184","CuKα","","0.136","0.1061","","","0.2785","0.3143","","","","","","1.216","","","","has coordinates,has disorder","297953","2025-03-04","00:56:34",""
"1574052","15.3286","0.0003","20.5857","0.0004","32.2184","0.0004","90","","94.423","0.001","90","","10136.2","0.3","119.4","0.9","119.4","0.9","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28.5 H19 Ce N0.5 O6.75 -","- C28.5 H19 Ce N0.5 O6.75 -","- C456 H304 Ce16 N8 O108 -","16","4","","Gómez-Muñoz, Iván; Hu, Ziqi; Vitórica-Yrezábal, Iñigo J; Coronado, Eugenio; Mínguez Espallargas, Guillermo","Implementing magnetic properties on demand with a dynamic lanthanoid-organic framework.","Chemical science","2025","16","6","2879","2885","10.1039/d4sc07042a","","x-ray","0.71073","MoKα","","0.1181","0.0795","","","0.1942","0.2288","","","","","","1.022","","","","has coordinates,has disorder","297953","2025-03-04","00:56:34",""
"1574053","8.6278","0.0004","12.3083","0.0006","10.9519","0.0005","90","","95.711","0.003","90","","1157.25","0.09","273","2","273","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H27 N O2 -","- C30 H27 N O2 -","- C60 H54 N2 O4 -","2","1","","He, Ze-Liang; Li, Li; Chen, Zhi-Chao; Du, Wei; Chen, Ying-Chun","Palladium-catalysed asymmetric cascade transformations of 4-alken-2-ynyl carbonates to construct complex frameworks.","Chemical science","2025","16","7","3124","3129","10.1039/d4sc07823c","","","1.54178","CuKα","","0.0437","0.038","","","0.0971","0.1013","","","","","","1.077","","","","has coordinates","297954","2025-03-04","00:58:52",""
"1574054","7.4687","0.0015","12.636","0.002","14.057","0.003","86.841","0.007","76.742","0.007","75.308","0.007","1249","0.4","150","2","150","","","","","","","","","5","P -1","-P 1","2","","","","- C29 H28 N2 O4 S -","- C29 H28 N2 O4 S -","- C58 H56 N4 O8 S2 -","2","1","","He, Ze-Liang; Li, Li; Chen, Zhi-Chao; Du, Wei; Chen, Ying-Chun","Palladium-catalysed asymmetric cascade transformations of 4-alken-2-ynyl carbonates to construct complex frameworks.","Chemical science","2025","16","7","3124","3129","10.1039/d4sc07823c","","","0.71073","MoKα","","0.1265","0.0965","","","0.2626","0.2881","","","","","","1.113","","","","has coordinates","297954","2025-03-04","00:58:53",""
"1574055","9.9196","0.001","9.9973","0.0009","11.8824","0.0011","91.791","0.004","104.104","0.004","102.384","0.003","1111.91","0.18","227","2","227","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H20 F3 N O2 -","- C28 H20 F3 N O2 -","- C56 H40 F6 N2 O4 -","2","1","","He, Ze-Liang; Li, Li; Chen, Zhi-Chao; Du, Wei; Chen, Ying-Chun","Palladium-catalysed asymmetric cascade transformations of 4-alken-2-ynyl carbonates to construct complex frameworks.","Chemical science","2025","16","7","3124","3129","10.1039/d4sc07823c","","","0.71073","MoKα","","0.1065","0.0703","","","0.1888","0.2161","","","","","","1.055","","","","has coordinates","297954","2025-03-04","00:58:53",""
"1574056","12.4257","0.0006","12.4257","0.0006","42.988","0.004","90","","90","","90","","6637.3","0.8","303","2","303","","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C36 H32 N2 O3 S -","- C36 H32 N2 O3 S -","- C288 H256 N16 O24 S8 -","8","1","","He, Ze-Liang; Li, Li; Chen, Zhi-Chao; Du, Wei; Chen, Ying-Chun","Palladium-catalysed asymmetric cascade transformations of 4-alken-2-ynyl carbonates to construct complex frameworks.","Chemical science","2025","16","7","3124","3129","10.1039/d4sc07823c","","","0.71073","MoKα","","0.1202","0.0542","","","0.1043","0.1296","","","","","","0.985","","","","has coordinates","297954","2025-03-04","00:58:53",""
"1574057","21.731","0.004","9.151","0.0015","34.748","0.007","90","","107.204","0.009","90","","6601","2","304","2","304","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C43 H34 N2 O4 -","- C43 H34 N2 O4 -","- C344 H272 N16 O32 -","8","1","","He, Ze-Liang; Li, Li; Chen, Zhi-Chao; Du, Wei; Chen, Ying-Chun","Palladium-catalysed asymmetric cascade transformations of 4-alken-2-ynyl carbonates to construct complex frameworks.","Chemical science","2025","16","7","3124","3129","10.1039/d4sc07823c","","","0.71073","MoKα","","0.1959","0.0831","","","0.1892","0.247","","","","","","1.025","","","","has coordinates","297954","2025-03-04","00:58:53",""
"1574060","6.35385","0.00012","7.76034","0.00015","16.0686","0.0003","92.9757","0.0016","90.6187","0.0017","101.846","0.0016","774.2","0.03","173","","173","","","","","","","","","4","P 1","P 1","1","","methyl 4-((2R,3R)-2-(dimethoxyphosphoryl)-3-methyl-4-oxooxetan-2-yl)benzoate","","- C14 H17 O7 P -","- C14 H17 O7 P -","- C28 H34 O14 P2 -","2","2","","Platt, Ffion M.; Wang, Yihong; Cordes, David B.; McKay, Aidan P.; Slawin, Alexandra M. Z.; Panchal, Heena; Smith, Andrew D.","Isothiourea-catalysed enantioselective synthesis of phosphonate-functionalised β-lactones","Chemical Science","2025","16","16","6828","6836","10.1039/D5SC00322A","","x-ray","0.71073","MoKα","","0.0432","0.0368","","","0.0851","0.0876","","","","","","1.025","","","","has coordinates","300604","2025-07-06","14:16:08",""
"1574061","6.279","0.0002","8.1645","0.0003","30.231","0.001","90","","90","","90","","1549.79","0.09","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","dimethyl ((2R,3R)-3-methyl-2-naphthalen-2-yl-4-oxooxetan-2-yl)phosphonate","","- C16 H17 O5 P -","- C16 H17 O5 P -","- C64 H68 O20 P4 -","4","1","","Platt, Ffion M.; Wang, Yihong; Cordes, David B.; McKay, Aidan P.; Slawin, Alexandra M. Z.; Panchal, Heena; Smith, Andrew D.","Isothiourea-catalysed enantioselective synthesis of phosphonate-functionalised β-lactones","Chemical Science","2025","16","16","6828","6836","10.1039/D5SC00322A","","x-ray","1.54184","CuKα","","0.0473","0.0446","","","0.1114","0.1135","","","","","","1.01","","","","has coordinates","300604","2025-07-06","14:16:12",""
"1574062","10.3633","0.0005","7.8457","0.0003","12.019","0.0006","90","","110.666","0.006","90","","914.35","0.08","125","","125","","","","","","","","","5","P 1 21 1","P 2yb","4","","dimethyl ((2R,3R)-3-(benzo[b]thiophen-3-yl)-4-oxo-2-phenyloxetan-2-yl)phosphonate","","- C19 H17 O5 P S -","- C19 H17 O5 P S -","- C38 H34 O10 P2 S2 -","2","1","","Platt, Ffion M.; Wang, Yihong; Cordes, David B.; McKay, Aidan P.; Slawin, Alexandra M. Z.; Panchal, Heena; Smith, Andrew D.","Isothiourea-catalysed enantioselective synthesis of phosphonate-functionalised β-lactones","Chemical Science","2025","16","16","6828","6836","10.1039/D5SC00322A","","x-ray","1.54184","CuKα","","0.0745","0.0621","","","0.1613","0.1855","","","","","","1.138","","","","has coordinates","300604","2025-07-06","14:16:22",""
"1574063","12.3931","0.0003","13.0388","0.0003","22.218","0.0007","75.614","0.002","85.704","0.002","77.205","0.002","3390.55","0.16","90","","90","","","","","","","","","4","P -1","-P 1","2","","","","- C84 H69 Cs4 O3 -","- C84 H69 Cs4 O3 -","- C168 H138 Cs8 O6 -","2","1","","Shen, Yongbing; Cui, Mengxing; Zhang, Haitao; Guo, Hanjie; Nakamura, Jumpei G.; Embs, Jan Peter; Zhao, Jinkui; Yamashita, Masahiro; Fu, Zhendong","Signatures of the quantum spin liquid state in triangular-based zig-zag polyaromatic hydrocarbon radicals","Chemical Science","2025","16","15","6345","6354","10.1039/D4SC08462D","","","0.71073","MoKα","","0.0578","0.0516","","","0.1345","0.1391","","","","","","1.057","","","","has coordinates","300634","2025-07-06","14:31:09",""
"1574064","7.5573","0.0008","15.3477","0.0016","16.6274","0.0018","90","","94.566","0.002","90","","1922.4","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H18 Cd2 Cl5 N O2 -","- C12 H18 Cd2 Cl5 N O2 -","- C48 H72 Cd8 Cl20 N4 O8 -","4","1","","Zhang, Ke; Qi, Zhikai; Zhang, Nan; Zhao, Xingxing; Fan, Yanli; Sun, Long; Zhou, Guojun; Li, Shi-Li; Zhang, Xian-Ming","Efficient energy transfer from organic triplet states to Mn<sup>2+</sup> dopants for dynamic tunable multicolor afterglow in 1D hybrid cadmium chloride.","Chemical science","2025","16","14","6104","6113","10.1039/d4sc08718f","","x-ray","0.71073","MoKα","","0.0597","0.0474","","","0.1323","0.1386","","","","","","1.191","","","","has coordinates","298789","2025-04-05","02:20:02",""
"1574073","23.2436","0.0003","18.9817","0.0003","13.9956","0.0002","90","","90","","90","","6174.9","0.15","150","2","150","2","","","","","","","","7","C m c m","-C 2c 2","63","","","","- C32 H56 B10 Ga I2 N4 Si2 -","- C32 H56 B10 Ga I2 N4 Si2 -","- C128 H224 B40 Ga4 I8 N16 Si8 -","4","0.25","","Saddington, Artemis; Yao, Shenglai; Lorent, Christian; Driess, Matthias","Redox non-innocent bis-silylene aluminium complexes with a carborane backbone","Chemical Science","2025","16","15","6383","6391","10.1039/D5SC01104C","","","0.71073","MoKα","","0.0418","0.038","","","0.1049","0.1084","","","","","","1.065","","","","has coordinates","300637","2025-07-06","14:32:02",""
"1574074","12.2257","0.0003","13.2295","0.0004","17.0355","0.0007","109.939","0.003","102.833","0.003","100.765","0.003","2419.65","0.16","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H56 Al2 B10 I3 N4 Si2 -","- C32 H56 Al2 B10 I3 N4 Si2 -","- C64 H112 Al4 B20 I6 N8 Si4 -","2","1","","Saddington, Artemis; Yao, Shenglai; Lorent, Christian; Driess, Matthias","Redox non-innocent bis-silylene aluminium complexes with a carborane backbone","Chemical Science","2025","16","15","6383","6391","10.1039/D5SC01104C","","","1.54184","CuKα","","0.0572","0.0482","","","0.125","0.1349","","","","","","1.044","","","","has coordinates","300637","2025-07-06","14:32:03",""
"1574075","14.6482","0.0007","14.829","0.0007","18.4781","0.001","105.669","0.004","106.625","0.005","100.731","0.004","3548.9","0.4","150.2","0.4","150.15","","","","","","","","","7","P -1","-P 1","2","","","","- C46 H72 Al B10 I2 N4 Si2 -","- C46 H72 Al B10 I2 N4 Si2 -","- C92 H144 Al2 B20 I4 N8 Si4 -","2","1","","Saddington, Artemis; Yao, Shenglai; Lorent, Christian; Driess, Matthias","Redox non-innocent bis-silylene aluminium complexes with a carborane backbone","Chemical Science","2025","16","15","6383","6391","10.1039/D5SC01104C","","","1.54184","CuKα","","0.0753","0.0534","","","0.1353","0.1537","","","","","","0.975","","","","has coordinates","300637","2025-07-06","14:32:03",""
"1574076","14.7194","0.0003","30.6034","0.0007","15.2868","0.0003","90","","94.863","0.002","90","","6861.4","0.3","150","2","150","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C48 H96 Al B10 I2 K N4 O4 Si2 -","- C48 H96 Al B10 I2 K N4 O4 Si2 -","- C192 H384 Al4 B40 I8 K4 N16 O16 Si8 -","4","1","","Saddington, Artemis; Yao, Shenglai; Lorent, Christian; Driess, Matthias","Redox non-innocent bis-silylene aluminium complexes with a carborane backbone","Chemical Science","2025","16","15","6383","6391","10.1039/D5SC01104C","","","1.54184","CuKα","","0.0664","0.0491","","","0.1228","0.1372","","","","","","1.01","","","","has coordinates","300637","2025-07-06","14:32:03",""
"1574077","14.4094","0.0004","17.2943","0.0004","23.7145","0.0006","90","","92.257","0.003","90","","5905.1","0.3","150","","150","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H56 Al2 B10 I6 N4 Si2 -","- C32 H56 Al2 B10 I6 N4 Si2 -","- C128 H224 Al8 B40 I24 N16 Si8 -","4","1","","Saddington, Artemis; Yao, Shenglai; Lorent, Christian; Driess, Matthias","Redox non-innocent bis-silylene aluminium complexes with a carborane backbone","Chemical Science","2025","16","15","6383","6391","10.1039/D5SC01104C","","","1.54184","CuKα","","0.0787","0.0489","","","0.1138","0.1288","","","","","","1.02","","","","has coordinates,has disorder","300637","2025-07-06","14:32:03",""
"1574078","21.7751","0.001","15.1015","0.0003","24.8744","0.0009","90","","109.723","0.004","90","","7699.8","0.5","150","0.1","150.15","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C58 H100 Al B10 K N4 O2 Si2 -","- C58 H100 Al B10 K N4 O2 Si2 -","- C232 H400 Al4 B40 K4 N16 O8 Si8 -","4","1","","Saddington, Artemis; Yao, Shenglai; Lorent, Christian; Driess, Matthias","Redox non-innocent bis-silylene aluminium complexes with a carborane backbone","Chemical Science","2025","16","15","6383","6391","10.1039/D5SC01104C","","","1.54184","CuKα","","0.1177","0.0845","","","0.2126","0.2445","","","","","","1.021","","","","has coordinates,has disorder","300637","2025-07-06","14:32:03",""
"1574079","11.2341","0.0005","13.2688","0.0006","17.1255","0.0008","67.622","0.001","89.72","0.001","65.448","0.001","2111.14","0.17","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H18 N2 Pt S -","- C26 H18 N2 Pt S -","- C104 H72 N8 Pt4 S4 -","4","2","","Tong, Ka-Ming; Toigo, Jessica; Wolf, Michael O.","Deep-blue phosphorescence from platinum(ii) bis(acetylide) complexes with sulfur-bridged dipyridyl ligands.","Chemical science","2025","16","14","5948","5956","10.1039/d4sc08205b","","","0.71073","MoKα","","0.0173","0.0139","","","0.0304","0.0314","","","","","","1.041","","","","has coordinates","298786","2025-04-05","02:18:41",""
"1574080","10.8444","0.001","11.2925","0.001","18.702","0.0017","90","","96.706","0.002","90","","2274.6","0.4","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H22 N2 Pt S -","- C28 H22 N2 Pt S -","- C112 H88 N8 Pt4 S4 -","4","1","","Tong, Ka-Ming; Toigo, Jessica; Wolf, Michael O.","Deep-blue phosphorescence from platinum(ii) bis(acetylide) complexes with sulfur-bridged dipyridyl ligands.","Chemical science","2025","16","14","5948","5956","10.1039/d4sc08205b","","","0.71073","MoKα","","0.0151","0.0133","","","0.0286","0.029","","","","","","1.104","","","","has coordinates","298786","2025-04-05","02:18:42",""
"1574081","7.9676","0.0005","11.994","0.0007","12.5963","0.0007","117.424","0.001","97.964","0.002","90.392","0.002","1054.74","0.11","100","","100","","","","","","","","","6","P -1","-P 1","2","","C26H18N2OPtS","","- C26 H18 N2 O Pt S -","- C26 H18 N2 O Pt S -","- C52 H36 N4 O2 Pt2 S2 -","2","1","","Tong, Ka-Ming; Toigo, Jessica; Wolf, Michael O.","Deep-blue phosphorescence from platinum(ii) bis(acetylide) complexes with sulfur-bridged dipyridyl ligands.","Chemical science","2025","16","14","5948","5956","10.1039/d4sc08205b","","","0.71073","MoKα","","0.0227","0.0191","","","0.0396","0.0403","","","","","","1.076","","","","has coordinates","298786","2025-04-05","02:18:42",""
"1574082","10.5828","0.0008","26.522","0.002","9.987","0.0008","90","","99.343","0.002","90","","2765.9","0.4","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 Cl2 N2 O2 Pt S -","- C30 H26 Cl2 N2 O2 Pt S -","- C120 H104 Cl8 N8 O8 Pt4 S4 -","4","1","","Tong, Ka-Ming; Toigo, Jessica; Wolf, Michael O.","Deep-blue phosphorescence from platinum(ii) bis(acetylide) complexes with sulfur-bridged dipyridyl ligands.","Chemical science","2025","16","14","5948","5956","10.1039/d4sc08205b","","","0.71073","MoKα","","0.0329","0.0229","","","0.0378","0.0398","","","","","","1.058","","","","has coordinates","298786","2025-04-05","02:18:42",""
"1574083","9.2869","0.0007","12.7332","0.0009","21.2615","0.0015","89.275","0.002","82.262","0.002","71.515","0.002","2361.6","0.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H22 N2 O Pt S -","- C28 H22 N2 O Pt S -","- C112 H88 N8 O4 Pt4 S4 -","4","2","","Tong, Ka-Ming; Toigo, Jessica; Wolf, Michael O.","Deep-blue phosphorescence from platinum(ii) bis(acetylide) complexes with sulfur-bridged dipyridyl ligands.","Chemical science","2025","16","14","5948","5956","10.1039/d4sc08205b","","","0.71073","MoKα","","0.0269","0.021","","","0.0454","0.0473","","","","","","1.036","","","","has coordinates","298786","2025-04-05","02:18:42",""
"1574084","8.94497","0.00013","7.9358","0.00013","12.43051","0.00018","90","","93.4456","0.0015","90","","880.79","0.02","169.99","0.1","169.99","0.1","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","catena-[bis(pyrazine)-tetrahydrofurane-diiodo-samarium(iii)]","","- C12 H16 I2 N4 O Sm -","- C12 H16 I2 N4 O Sm -","- C24 H32 I4 N8 O2 Sm2 -","2","0.5","","Viborg, Anton; Dunstan, Maja A.; Yutronkie, Nathan J.; Chanda, Amit; Trier, Felix; Pryds, Nini; Wilhelm, Fabrice; Rogalev, Andrei; Pinkowicz, Dawid; Pedersen, Kasper S.","Disentangling chemical pressure and superexchange effects in lanthanide–organic valence tautomerism","Chemical Science","2025","16","16","6879","6885","10.1039/D5SC01246E","","x-ray","1.54184","CuKα","","0.055","0.0504","","","0.1331","0.14","","","","","","1.041","","","","has coordinates,has disorder","300609","2025-07-06","14:18:15",""
"1574085","9.0249","0.0003","8.0968","0.0003","12.6429","0.0004","90","","94.567","0.003","90","","920.92","0.05","230","0.1","230","0.1","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","catena-[bis(pyrazine)-tetrahydrofuran-diiodo-samarium(ii)","","- C12 H16 I2 N4 O Sm -","- C12 H16 I2 N4 O Sm -","- C24 H32 I4 N8 O2 Sm2 -","2","0.5","","Viborg, Anton; Dunstan, Maja A.; Yutronkie, Nathan J.; Chanda, Amit; Trier, Felix; Pryds, Nini; Wilhelm, Fabrice; Rogalev, Andrei; Pinkowicz, Dawid; Pedersen, Kasper S.","Disentangling chemical pressure and superexchange effects in lanthanide–organic valence tautomerism","Chemical Science","2025","16","16","6879","6885","10.1039/D5SC01246E","","x-ray","1.54184","CuKα","","0.0567","0.0499","","","0.1382","0.1494","","","","","","1.044","","","","has coordinates,has disorder","300609","2025-07-06","14:18:16",""
"1574086","9.0739","0.0001","8.2039","0.0001","12.7161","0.0001","90","","94.74","0.001","90","","943.366","0.017","294.99","0.1","294.99","0.1","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","catena-[bis(pyrazine)-tetrahydrofuran-diiodo-samarium(ii)]","","- C12 H16 I2 N4 O Sr -","- C12 H16 I2 N4 O Sr -","- C24 H32 I4 N8 O2 Sr2 -","2","0.5","","Viborg, Anton; Dunstan, Maja A.; Yutronkie, Nathan J.; Chanda, Amit; Trier, Felix; Pryds, Nini; Wilhelm, Fabrice; Rogalev, Andrei; Pinkowicz, Dawid; Pedersen, Kasper S.","Disentangling chemical pressure and superexchange effects in lanthanide–organic valence tautomerism","Chemical Science","2025","16","16","6879","6885","10.1039/D5SC01246E","","x-ray","1.54184","CuKα","","0.0365","0.0364","","","0.1039","0.1042","","","","","","1.087","","","","has coordinates,has disorder","300609","2025-07-06","14:18:17",""
"1574087","8.9739","0.0001","7.9879","0.0001","12.6087","0.0002","90","","94.22","0.002","90","","901.37","0.02","294.99","0.1","294.99","0.1","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","catena-[bis(pyrazine)-tetrahydrofuran-diiodo-calcium(ii)]","","- C12 H16 Ca I2 N4 O -","- C12 H16 Ca I2 N4 O -","- C24 H32 Ca2 I4 N8 O2 -","2","0.5","","Viborg, Anton; Dunstan, Maja A.; Yutronkie, Nathan J.; Chanda, Amit; Trier, Felix; Pryds, Nini; Wilhelm, Fabrice; Rogalev, Andrei; Pinkowicz, Dawid; Pedersen, Kasper S.","Disentangling chemical pressure and superexchange effects in lanthanide–organic valence tautomerism","Chemical Science","2025","16","16","6879","6885","10.1039/D5SC01246E","","x-ray","1.54184","CuKα","","0.0333","0.0276","","","0.0658","0.0697","","","","","","1.034","","","","has coordinates,has disorder","300609","2025-07-06","14:18:25",""
"1574088","9.07712","0.00019","8.15614","0.00016","12.7219","0.0003","90","","94.6744","0.0019","90","","938.72","0.03","295","0.1","295","0.1","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","catena-[bis(pyrazine)-tetrahydrofuran-diiodo-samarium(ii)]","","- C12 H16 I2 N4 O Sm -","- C12 H16 I2 N4 O Sm -","- C24 H32 I4 N8 O2 Sm2 -","2","0.5","","Viborg, Anton; Dunstan, Maja A.; Yutronkie, Nathan J.; Chanda, Amit; Trier, Felix; Pryds, Nini; Wilhelm, Fabrice; Rogalev, Andrei; Pinkowicz, Dawid; Pedersen, Kasper S.","Disentangling chemical pressure and superexchange effects in lanthanide–organic valence tautomerism","Chemical Science","2025","16","16","6879","6885","10.1039/D5SC01246E","","x-ray","1.54184","CuKα","","0.0405","0.0355","","","0.0948","0.1024","","","","","","1.033","","","","has coordinates,has disorder","300609","2025-07-06","14:18:26",""
"1574089","14.2539","0.0012","17.2346","0.0016","17.3593","0.0017","106.528","0.003","102.26","0.003","90.213","0.003","3985.7","0.6","100","","100","","","","","","","","","5","P -1","-P 1","2","","salt [1](I)2","","- C39 H42 I2 N6 O4 -","- C39 H42 I2 N6 O4 -","- C156 H168 I8 N24 O16 -","4","2","","Martínez-Vivas, Sebastián; Poyatos, Macarena; Peris, Eduardo","Fluoride-induced redox-switchable behaviour of a palladium(ii)/(iv) couple","Chemical Science","2025","16","15","6257","6264","10.1039/D4SC08203F","","","0.71073","MoKα","","0.0799","0.0706","","","0.1776","0.1843","","","","","","1.088","","","","has coordinates","300638","2025-07-06","14:33:42",""
"1574090","11.0685","0.0006","27.3218","0.001","14.8974","0.0006","90","","110.129","0.005","90","","4230","0.4","270","5","270","5","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","complex 7","","- C40 H42 Br3 Cl2 N6 O4 Pd -","- C40 H42 Br3 Cl2 N6 O4 Pd -","- C160 H168 Br12 Cl8 N24 O16 Pd4 -","4","1","","Martínez-Vivas, Sebastián; Poyatos, Macarena; Peris, Eduardo","Fluoride-induced redox-switchable behaviour of a palladium(ii)/(iv) couple","Chemical Science","2025","16","15","6257","6264","10.1039/D4SC08203F","","x-ray","1.54184","CuKα","","0.1157","0.0791","","","0.213","0.2549","","","","","","1.04","","","","has coordinates","300638","2025-07-06","14:33:43",""
"1574091","13.7465","0.0005","13.7475","0.0005","21.0944","0.0009","72.438","0.004","78.222","0.004","81.747","0.003","3706.2","0.3","200","0.14","200","0.14","","","","","","","","8","P -1","-P 1","2","","str2238","","- C76 H55 B Cl F26 N7 O4 Pd -","- C76 H55 B Cl F26 N7 O4 Pd -","- C152 H110 B2 Cl2 F52 N14 O8 Pd2 -","2","1","","Martínez-Vivas, Sebastián; Poyatos, Macarena; Peris, Eduardo","Fluoride-induced redox-switchable behaviour of a palladium(ii)/(iv) couple","Chemical Science","2025","16","15","6257","6264","10.1039/D4SC08203F","","x-ray","1.54184","CuKα","","0.1109","0.0799","","","0.2072","0.2348","","","","","","1.032","","","","has coordinates","300638","2025-07-06","14:33:43",""
"1574092","24.626","0.002","24.7677","0.0019","25.97","0.002","69.586","0.002","75.581","0.002","63.458","0.002","13198.3","1.8","273.15","","273.15","","","","","","","","","4","P -1","-P 1","2","","","","- C138 H96 N12 Pd3 -","- C138 H96 N12 Pd3 -","- C276 H192 N24 Pd6 -","2","1","","Yu, Hao; Guo, Ziteng; Tang, Jie; Han, Ningxu; Shi, Junjuan; Li, Meng; Zhang, Houyu; Wang, Ming","Configurational control of low-symmetry heteroleptic metal-organic cages with asymmetric ligands.","Chemical science","2025","16","14","6114","6120","10.1039/d4sc08647c","","","0.67016","Synchrotron","","0.1559","0.1268","","","0.374","0.4083","","","","","","1.453","","","","has coordinates,has disorder","298788","2025-04-05","02:19:42",""
"1574093","26.235","0.0017","26.235","0.0017","46.357","0.004","90","","90","","120","","27632","3","273.15","","273.15","","","","","","","","","4","P -3 1 c","-P 3 2c","163","","","","- C282 H204 N24 Pd6 -","- C282 H204 N24 Pd6 -","- C564 H408 N48 Pd12 -","2","0.166667","","Yu, Hao; Guo, Ziteng; Tang, Jie; Han, Ningxu; Shi, Junjuan; Li, Meng; Zhang, Houyu; Wang, Ming","Configurational control of low-symmetry heteroleptic metal-organic cages with asymmetric ligands.","Chemical science","2025","16","14","6114","6120","10.1039/d4sc08647c","","","0.6887","Synchrotron","","0.1399","0.1258","","","0.3361","0.3594","","","","","","1.397","","","","has coordinates","298788","2025-04-05","02:19:42",""
"1574094","43.65","0.002","43.65","0.002","43.65","0.002","90","","90","","90","","83167","7","273.15","","273.15","","","","","","","","","4","I m -3 m","-I 4 2 3","229","","","","- C176 H128 N16 Pd4 -","- C176 H128 N16 Pd4 -","- C1056 H768 N96 Pd24 -","6","0.0625","","Yu, Hao; Guo, Ziteng; Tang, Jie; Han, Ningxu; Shi, Junjuan; Li, Meng; Zhang, Houyu; Wang, Ming","Configurational control of low-symmetry heteroleptic metal-organic cages with asymmetric ligands.","Chemical science","2025","16","14","6114","6120","10.1039/d4sc08647c","","","0.68874","Synchrotron","","0.1934","0.1841","","","0.516","0.575","","","","","","1.582","","","","has coordinates,has disorder","298788","2025-04-05","02:19:42",""
"1574097","8.046","0.0001","18.2634","0.0002","8.5597","0.0001","90","","108.345","0.001","90","","1193.9","0.03","249.97","0.1","249.97","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H17 N O -","- C14 H17 N O -","- C56 H68 N4 O4 -","4","2","","Sun, Hao; Yu, Cheng-Long; Zheng, Yu-Qing; Shu, Peng-Fei; Dong, Zhan; Xia, Yu-Chen; Liu, Wen-Bo","Pd-catalyzed enantioselective access to hydrocarbazolones containing contiguous quaternary and tertiary stereocenters","Chemical Science","2025","16","15","6425","6433","10.1039/D4SC08215J","","x-ray","1.54184","CuKα","","0.0276","0.0269","","","0.0732","0.0738","","","","","","1.038","","","","has coordinates","300639","2025-07-06","14:34:11",""
"1574098","8.9633","0.0002","18.6929","0.0002","11.3785","0.0002","90","","90.154","0.002","90","","1906.46","0.06","301.56","0.1","301.56","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H24.5 N O1.75 -","- C23 H23 N O -","- C92 H92 N4 O4 -","4","2","","Sun, Hao; Yu, Cheng-Long; Zheng, Yu-Qing; Shu, Peng-Fei; Dong, Zhan; Xia, Yu-Chen; Liu, Wen-Bo","Pd-catalyzed enantioselective access to hydrocarbazolones containing contiguous quaternary and tertiary stereocenters","Chemical Science","2025","16","15","6425","6433","10.1039/D4SC08215J","","","1.54184","CuKα","","0.048","0.0419","","","0.1173","0.1226","","","","","","1.0472","","","","has coordinates","300639","2025-07-06","14:34:11",""
"1574099","55.438","0.004","55.438","0.004","34.467","0.002","90","","90","","120","","91738","11","200","2","200","2","","","","","","","","7","P 63","P 6c","173","","","","- C112 H276 Mo12 N40 O138 Pd4 Si -","- C112 H128 Mo12 N32 O40 Pd4 Si -","- C2016 H2304 Mo216 N576 O720 Pd72 Si18 -","18","3","","Cai, Li-Xuan; Hu, Yu-Hang; Zhou, Li-Peng; Cheng, Pei-Ming; Guo, Xiao-Qing; Chan, Yi-Tsu; Sun, Qing-Fu","Polyoxometalate condensation and transformation mediated by adaptive coordination-assembled molecular flasks","Chemical Science","2025","16","18","7956","7962","10.1039/D4SC08729A","","","0.71073","MoKα","","0.1389","0.0935","","","0.2345","0.2746","","","","","","1.042","","","","has coordinates","300649","2025-07-06","14:38:42",""
"1574100","57.774","0.008","57.774","0.008","36.483","0.007","90","","90","","90","","121774","3","100","2","100","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C112 H319 N40 O151.5 Pd4 W10 -","- C112 H128 N33 O35 Pd4 W10 -","- C1792 H2048 N528 O560 Pd64 W160 -","16","1","","Cai, Li-Xuan; Hu, Yu-Hang; Zhou, Li-Peng; Cheng, Pei-Ming; Guo, Xiao-Qing; Chan, Yi-Tsu; Sun, Qing-Fu","Polyoxometalate condensation and transformation mediated by adaptive coordination-assembled molecular flasks","Chemical Science","2025","16","18","7956","7962","10.1039/D4SC08729A","","","0.68875","Synchrotron","","0.1046","0.0762","","","0.2604","0.2908","","","","","","1.06","","","","has coordinates","300649","2025-07-06","14:38:44",""
"1574101","33.1786","0.0003","35.0845","0.0004","58.0136","0.0006","90","","89.8996","0.001","90","","67530.9","1.2","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C112 H228 N40 O114 Pd4 Si W12 -","- C112 H128 N32 O40 Pd4 Si W12 -","- C1344 H1536 N384 O480 Pd48 Si12 W144 -","12","3","","Cai, Li-Xuan; Hu, Yu-Hang; Zhou, Li-Peng; Cheng, Pei-Ming; Guo, Xiao-Qing; Chan, Yi-Tsu; Sun, Qing-Fu","Polyoxometalate condensation and transformation mediated by adaptive coordination-assembled molecular flasks","Chemical Science","2025","16","18","7956","7962","10.1039/D4SC08729A","","","1.34139","GaKα","","0.1168","0.1094","","","0.3409","0.3538","","","","","","1.14","","","","has coordinates","300649","2025-07-06","14:38:53",""
"1574102","9.0296","0.0004","9.2046","0.0004","23.1133","0.0012","89.022","0.002","79.051","0.002","63.4122","0.0017","1681.56","0.14","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C33 H45 B Cl3 N2 P Si -","- C33 H45 B Cl3 N2 P Si -","- C66 H90 B2 Cl6 N4 P2 Si2 -","2","1","","Phang, Si Jia Isabel; Zhang, Zheng-Feng; Su, Ming-Der; So, Cheuk-Wai","An N-phosphinoamidinato borasilenide: a vinyl-analogous anion containing a base-stabilised BSi double bond","Chemical Science","2025","16","16","6763","6769","10.1039/D5SC00047E","","x-ray","0.71073","MoKα","","0.0772","0.0517","","","0.1281","0.1445","","","","","","1.036","","","","has coordinates","300612","2025-07-06","14:19:46",""
"1574103","11.8487","0.0006","10.1385","0.0007","30.475","0.002","90","","94.814","0.004","90","","3648","0.4","101","2","101","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H54 B N2 P Si2 -","- C36 H54 B N2 P Si2 -","- C144 H216 B4 N8 P4 Si8 -","4","1","","Phang, Si Jia Isabel; Zhang, Zheng-Feng; Su, Ming-Der; So, Cheuk-Wai","An N-phosphinoamidinato borasilenide: a vinyl-analogous anion containing a base-stabilised BSi double bond","Chemical Science","2025","16","16","6763","6769","10.1039/D5SC00047E","","x-ray","1.54178","CuKα","","0.143","0.0918","","","0.209","0.2361","","","","","","1.06","","","","has coordinates,has disorder","300612","2025-07-06","14:19:46",""
"1574104","8.9473","0.0009","12.225","0.0011","15.6398","0.0016","87.641","0.003","89.746","0.004","71.362","0.003","1619.5","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C66 H90 B2 K2 N4 P2 Si2 -","- C66 H90 B2 K2 N4 P2 Si2 -","- C66 H90 B2 K2 N4 P2 Si2 -","1","0.5","","Phang, Si Jia Isabel; Zhang, Zheng-Feng; Su, Ming-Der; So, Cheuk-Wai","An N-phosphinoamidinato borasilenide: a vinyl-analogous anion containing a base-stabilised BSi double bond","Chemical Science","2025","16","16","6763","6769","10.1039/D5SC00047E","","x-ray","0.71073","MoKα","","0.1355","0.0795","","","0.1979","0.2432","","","","","","1.023","","","","has coordinates,has disorder","300612","2025-07-06","14:19:46",""
"1574105","16.6108","0.0007","10.1947","0.0004","25.8173","0.0013","90","","90.071","0.0015","90","","4372","0.3","100","2","100","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C43 H59 B F3 N2 O3 P S Si -","- C43 H59 B F3 N2 O3 P S Si -","- C172 H236 B4 F12 N8 O12 P4 S4 Si4 -","4","1","","Phang, Si Jia Isabel; Zhang, Zheng-Feng; Su, Ming-Der; So, Cheuk-Wai","An N-phosphinoamidinato borasilenide: a vinyl-analogous anion containing a base-stabilised BSi double bond","Chemical Science","2025","16","16","6763","6769","10.1039/D5SC00047E","","x-ray","0.71073","MoKα","","0.1132","0.0606","","","0.1424","0.1789","","","","","","1.02","","","","has coordinates,has disorder","300612","2025-07-06","14:19:46",""
"1574106","15.2155","0.0019","15.695","0.002","18.597","0.002","90.735","0.004","105.707","0.004","98.278","0.004","4224.5","0.9","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C47 H61 B Ir N2 P Si -","- C47 H61 B Ir N2 P Si -","- C188 H244 B4 Ir4 N8 P4 Si4 -","4","2","","Phang, Si Jia Isabel; Zhang, Zheng-Feng; Su, Ming-Der; So, Cheuk-Wai","An N-phosphinoamidinato borasilenide: a vinyl-analogous anion containing a base-stabilised BSi double bond","Chemical Science","2025","16","16","6763","6769","10.1039/D5SC00047E","","x-ray","0.71073","MoKα","","0.078","0.0486","","","0.1054","0.1244","","","","","","1.044","","","","has coordinates","300612","2025-07-06","14:19:46",""
"1574107","15.9089","0.0009","12.3323","0.0006","40.245","0.003","90","","100.86","0.002","90","","7754.4","0.8","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C81 H111 B2 Cu2 N4 P3 Si2 -","- C81 H111 B2 Cu2 N4 P3 Si2 -","- C324 H444 B8 Cu8 N16 P12 Si8 -","4","1","","Phang, Si Jia Isabel; Zhang, Zheng-Feng; Su, Ming-Der; So, Cheuk-Wai","An N-phosphinoamidinato borasilenide: a vinyl-analogous anion containing a base-stabilised BSi double bond","Chemical Science","2025","16","16","6763","6769","10.1039/D5SC00047E","","x-ray","0.71073","MoKα","","0.1009","0.0537","","","0.1142","0.1363","","","","","","1.03","","","","has coordinates","300612","2025-07-06","14:19:46",""
"1574108","9.7393","0.0002","24.5507","0.0005","30.8103","0.0007","90","","90","","90","","7366.9","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1MeCz-BO","","- C52 H34 B N O2 -","- C52 H34 B N O2 -","- C416 H272 B8 N8 O16 -","8","1","","Li, Quanwei; Zhao, Haisong; Zhao, Jinyang; Cao, Zhongxu; Yu, Chao; Yan, Shouke; Ren, Zhongjie","Enhancing electroluminescence performance of ultra-deep-blue through-space charge transfer emitters with CIEy ≈ 0.05 via methyl-modification","Chemical Science","2025","16","15","6434","6442","10.1039/D4SC08094G","","x-ray","1.54184","CuKα","","0.0759","0.0572","","","0.1425","0.1528","","","","","","1.072","","","","has coordinates","300633","2025-07-06","14:30:55",""
"1574109","8.8277","0.0003","27.8654","0.0009","31.786","0.0012","90","","90","","90","","7819","0.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3MeCz-BO","","- C54 H38 B N O2 -","- C54 H38 B N O2 -","- C432 H304 B8 N8 O16 -","8","1","","Li, Quanwei; Zhao, Haisong; Zhao, Jinyang; Cao, Zhongxu; Yu, Chao; Yan, Shouke; Ren, Zhongjie","Enhancing electroluminescence performance of ultra-deep-blue through-space charge transfer emitters with CIEy ≈ 0.05 via methyl-modification","Chemical Science","2025","16","15","6434","6442","10.1039/D4SC08094G","","x-ray","1.54184","CuKα","","0.0888","0.0559","","","0.147","0.1672","","","","","","1.039","","","","has coordinates","300633","2025-07-06","14:30:57",""
"1574110","16.7197","0.0013","8.873","0.0005","26.3102","0.0017","90","","101.453","0.007","90","","3825.5","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2MeCz-BO","","- C53 H36 B N O2 -","- C53 H36 B N O2 -","- C212 H144 B4 N4 O8 -","4","1","","Li, Quanwei; Zhao, Haisong; Zhao, Jinyang; Cao, Zhongxu; Yu, Chao; Yan, Shouke; Ren, Zhongjie","Enhancing electroluminescence performance of ultra-deep-blue through-space charge transfer emitters with CIEy ≈ 0.05 via methyl-modification","Chemical Science","2025","16","15","6434","6442","10.1039/D4SC08094G","","","1.54184","CuKα","","0.1937","0.117","","","0.3019","0.3542","","","","","","1.049","","","","has coordinates","300633","2025-07-06","14:30:57",""
"1574111","21.2386","0.0002","36.7068","0.0003","38.4701","0.0003","90","","98.345","0.001","90","","29673.8","0.4","100.01","0.1","100.01","0.1","","","","","","","","9","C 1 c 1","C -2yc","9","","","","- C241 H183 Ag7.17 Cl2 Cu39.83 F36 O24 P6 Se18 -","- C241 H182 Ag7.1667 Cl2 Cu39.8333 F36 O24 P6 Se18 -","- C964 H728 Ag28.6668 Cl8 Cu159.333 F144 O96 P24 Se72 -","4","1","","Sun, Jing; Liu, Jiahe; Su, Hai-Feng; Li, Simin; Tang, Xiongkai; Xie, Zhenlang; Xu, Zhen; Jiang, Wenya; Wei, Jianyu; Gong, Xuekun; He, Ayisha; Wang, Song; Jiang, De-en; Zheng, Nanfeng; Shen, Hui","Eight-electron copper-hydride nanoclusters: synthesis, structure, alloying chemistry and photoluminescence","Chemical Science","2025","16","15","6392","6401","10.1039/D4SC08547G","","x-ray","1.54184","CuKα","","0.075","0.0605","","","0.1556","0.1652","","","","","","1.05","","","","has coordinates,has disorder","300632","2025-07-06","14:30:33",""
"1574112","21.8398","0.0005","21.8398","0.0005","33.3259","0.0005","90","","90","","120","","13766.1","0.5","99.98","0.1","100.15","","","","","","","","","8","P 63/m","-P 6c","176","","","","- C207 H156 Cl6 Cu47 F36 O24 P5 Se15 -","- C207 H156 Cl6 Cu47 F36 O24 P5 Se15 -","- C414 H312 Cl12 Cu94 F72 O48 P10 Se30 -","2","0.166667","","Sun, Jing; Liu, Jiahe; Su, Hai-Feng; Li, Simin; Tang, Xiongkai; Xie, Zhenlang; Xu, Zhen; Jiang, Wenya; Wei, Jianyu; Gong, Xuekun; He, Ayisha; Wang, Song; Jiang, De-en; Zheng, Nanfeng; Shen, Hui","Eight-electron copper-hydride nanoclusters: synthesis, structure, alloying chemistry and photoluminescence","Chemical Science","2025","16","15","6392","6401","10.1039/D4SC08547G","","","1.54184","CuKα","","0.0717","0.0552","","","0.162","0.1751","","","","","","1.054","","","","has coordinates","300632","2025-07-06","14:30:33",""
"1574113","13.5563","0.0002","20.737","0.0002","14.8064","0.0002","90","","116.901","0.002","90","","3711.92","0.11","150","0.1","150","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38 H32 Cl4 Cu I O P2 -","- C38 H32 Cl4 Cu I O P2 -","- C152 H128 Cl16 Cu4 I4 O4 P8 -","4","1","","Zhang, Hong-Jin; Chen, Zong-Ren; Xu, Ji-Tong; Ye, Jia-Wen; Chen, Ling; Chen, Xiao-Ming","CO2-enhanced TADF of an ultra-stable Cu(i) cluster via guest–host π–π interaction","Chemical Science","2025","16","16","6872","6878","10.1039/D4SC07949C","","x-ray","1.54184","CuKα","","0.0345","0.0337","","","0.0881","0.0887","","","","","","1.061","","","","has coordinates","300608","2025-07-06","14:17:44",""
"1574114","13.3463","0.0005","20.206","0.0004","14.7519","0.0005","90","","116.536","0.004","90","","3559.1","0.2","150","0.11","150","0.11","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C40 H34 Cu I N2 O P2 -","- C40 H34 Cu I N2 O P2 -","- C160 H136 Cu4 I4 N8 O4 P8 -","4","1","","Zhang, Hong-Jin; Chen, Zong-Ren; Xu, Ji-Tong; Ye, Jia-Wen; Chen, Ling; Chen, Xiao-Ming","CO2-enhanced TADF of an ultra-stable Cu(i) cluster via guest–host π–π interaction","Chemical Science","2025","16","16","6872","6878","10.1039/D4SC07949C","","x-ray","1.54184","CuKα","","0.0383","0.0355","","","0.0948","0.0967","","","","","","1.05","","","","has coordinates","300608","2025-07-06","14:17:53",""
"1574115","13.4634","0.0008","18.73432","0.00017","23.9159","0.0015","90","","147.569","0.016","90","","3235","1.4","149.99","0.1","149.99","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72 H56 Cu2 I2 O2 P4 -","- C72 H56 Cu2 I2 O2 P4 -","- C144 H112 Cu4 I4 O4 P8 -","2","0.5","","Zhang, Hong-Jin; Chen, Zong-Ren; Xu, Ji-Tong; Ye, Jia-Wen; Chen, Ling; Chen, Xiao-Ming","CO2-enhanced TADF of an ultra-stable Cu(i) cluster via guest–host π–π interaction","Chemical Science","2025","16","16","6872","6878","10.1039/D4SC07949C","","x-ray","1.54184","CuKα","","0.0283","0.0268","","","0.0694","0.0706","","","","","","1.05","","","","has coordinates","300608","2025-07-06","14:17:54",""
"1574116","13.3073","0.0001","19.2892","0.0001","14.7456","0.0002","90","","116.688","0.001","90","","3381.77","0.06","150","0.11","150","0.11","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C73.6 H56 Cu2 I2 O5.12 P4 -","- C73.6 H56 Cu2 I2 O5.124 P4 -","- C147.2 H112 Cu4 I4 O10.248 P8 -","2","0.5","","Zhang, Hong-Jin; Chen, Zong-Ren; Xu, Ji-Tong; Ye, Jia-Wen; Chen, Ling; Chen, Xiao-Ming","CO2-enhanced TADF of an ultra-stable Cu(i) cluster via guest–host π–π interaction","Chemical Science","2025","16","16","6872","6878","10.1039/D4SC07949C","","x-ray","1.54184","CuKα","","0.0293","0.0277","","","0.0673","0.0679","","","","","","1.149","","","","has coordinates","300608","2025-07-06","14:18:03",""
"1574117","13.5886","0.0001","18.8697","0.0002","14.651","0.0002","90","","117.565","0.001","90","","3330.27","0.07","291.6","0.3","291.6","0.3","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H28 Cu I O P2 -","- C36 H28 Cu I O P2 -","- C144 H112 Cu4 I4 O4 P8 -","4","1","","Zhang, Hong-Jin; Chen, Zong-Ren; Xu, Ji-Tong; Ye, Jia-Wen; Chen, Ling; Chen, Xiao-Ming","CO2-enhanced TADF of an ultra-stable Cu(i) cluster via guest–host π–π interaction","Chemical Science","2025","16","16","6872","6878","10.1039/D4SC07949C","","x-ray","1.54184","CuKα","","0.0267","0.0243","","","0.0597","0.0609","","","","","","1.038","","","","has coordinates","300608","2025-07-06","14:18:04",""
"1574118","13.4567","0.0001","19.338","0.0001","14.8468","0.0002","90","","116.934","0.001","90","","3444.44","0.06","291.33","0.1","291.33","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72.8 H56 Cu2 I2 O3.6 P4 -","- C72.8 H56 Cu2 I2 O3.6 P4 -","- C145.6 H112 Cu4 I4 O7.2 P8 -","2","0.5","","Zhang, Hong-Jin; Chen, Zong-Ren; Xu, Ji-Tong; Ye, Jia-Wen; Chen, Ling; Chen, Xiao-Ming","CO2-enhanced TADF of an ultra-stable Cu(i) cluster via guest–host π–π interaction","Chemical Science","2025","16","16","6872","6878","10.1039/D4SC07949C","","x-ray","1.54184","CuKα","","0.0291","0.0269","","","0.0726","0.0738","","","","","","1.066","","","","has coordinates,has disorder","300608","2025-07-06","14:18:05",""
"1574119","7.506","0.0002","11.5648","0.0002","34.8112","0.0005","90","","90.678","0.002","90","","3021.59","0.11","100","0.1","100","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C16 H17 Cl N4 O -","- C16 H17 Cl N4 O -","- C128 H136 Cl8 N32 O8 -","8","1","","Zhu, Shiyang; Zhang, Hairuo; Sun, Boyang; Bai, Ziqian; He, Gang; Chen, Gong; Wang, Hao","Nitrene-mediated aminative N–N–N coupling: facile access to triazene 1-oxides","Chemical Science","2025","16","15","6458","6467","10.1039/D5SC00064E","","x-ray","0.71073","MoKα","","0.0442","0.0366","","","0.0993","0.1036","","","","","","1.054","","","","has coordinates","300631","2025-07-06","14:30:14",""
"1574130","17.3266","0.0011","23.1849","0.0015","24.3639","0.0014","93.487","0.003","110.59","0.003","109.064","0.004","8487.2","1","100","0.2","100","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C99.5 H88 N2 O4 Si4 Tb -","- C99.5 H88 N2 O4 Si4 Tb -","- C398 H352 N8 O16 Si16 Tb4 -","4","2","","Xue, Tianjiao; Yang, Qing-Song; Li, Lei; Chang, Xiao-Yong; Ding, You-Song; Zheng, Zhiping","Supramolecular assemblies of tetravalent terbium complex units: syntheses, structure, and materials properties","Chemical Science","2025","16","16","6805","6811","10.1039/D4SC08731C","","x-ray","1.34138","GaKα","","0.0895","0.0635","","","0.1621","0.1767","","","","","","1.082","","","","has coordinates","300610","2025-07-06","14:19:07",""
"1574131","22.7842","0.0009","18.3307","0.0007","23.9399","0.0008","90","","111.875","0.001","90","","9278.6","0.6","100","0.2","100","0.2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C104 H112 N2 O12 Si4 Tb -","- C104 H112 N2 O12 Si4 Tb -","- C416 H448 N8 O48 Si16 Tb4 -","4","0.5","","Xue, Tianjiao; Yang, Qing-Song; Li, Lei; Chang, Xiao-Yong; Ding, You-Song; Zheng, Zhiping","Supramolecular assemblies of tetravalent terbium complex units: syntheses, structure, and materials properties","Chemical Science","2025","16","16","6805","6811","10.1039/D4SC08731C","","x-ray","0.71073","MoKα","","0.0543","0.0442","","","0.1066","0.1164","","","","","","1.034","","","","has coordinates,has disorder","300610","2025-07-06","14:19:08",""
"1574132","17.784","0.0016","21.25","0.002","25.315","0.003","109.025","0.004","101.84","0.004","90.039","0.004","8828.2","1.6","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C105 H92 N2 O4 Si4 Tb -","- C105 H92 N2 O4 Si4 Tb -","- C420 H368 N8 O16 Si16 Tb4 -","4","2","","Xue, Tianjiao; Yang, Qing-Song; Li, Lei; Chang, Xiao-Yong; Ding, You-Song; Zheng, Zhiping","Supramolecular assemblies of tetravalent terbium complex units: syntheses, structure, and materials properties","Chemical Science","2025","16","16","6805","6811","10.1039/D4SC08731C","","","1.34139","GaKα","","0.125","0.08","","","0.194","0.2201","","","","","","1.093","","","","has coordinates","300610","2025-07-06","14:19:08",""
"1574133","32.278","0.0017","34.1126","0.0016","39.4068","0.0017","90","","90","","90","","43390","4","99.9","","99.9","","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C208 H224 N4 O18 Si8 Tb2 -","- C208 H224 N4 O18 Si8 Tb2 -","- C1664 H1792 N32 O144 Si64 Tb16 -","8","0.25","","Xue, Tianjiao; Yang, Qing-Song; Li, Lei; Chang, Xiao-Yong; Ding, You-Song; Zheng, Zhiping","Supramolecular assemblies of tetravalent terbium complex units: syntheses, structure, and materials properties","Chemical Science","2025","16","16","6805","6811","10.1039/D4SC08731C","","x-ray","0.71073","MoKα","","0.0609","0.0514","","","0.1505","0.16","","","","","","1.142","","","","has coordinates,has disorder","300610","2025-07-06","14:19:08",""
"1574134","17.8325","0.0016","21.184","0.002","25.671","0.002","109.037","0.004","101.48","0.003","90.122","0.003","8960.2","1.4","200","0.2","200","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C210 H188 N4 O8 Si8 Tb2 -","- C182 H156 N4 O8 Si8 Tb2 -","- C364 H312 N8 O16 Si16 Tb4 -","2","1","","Xue, Tianjiao; Yang, Qing-Song; Li, Lei; Chang, Xiao-Yong; Ding, You-Song; Zheng, Zhiping","Supramolecular assemblies of tetravalent terbium complex units: syntheses, structure, and materials properties","Chemical Science","2025","16","16","6805","6811","10.1039/D4SC08731C","","x-ray","1.34139","GaKα","","0.0732","0.06","","","0.1757","0.1856","","","","","","1.159","","","","has coordinates,has disorder","300610","2025-07-06","14:19:08",""
"1574135","10.9435","0.0001","10.9435","0.0001","14.7482","0.0001","90","","90","","90","","1766.25","0.03","292.96","0.13","292.96","0.13","","","","","","","","5","P 41","P 4w","76","","","","- C21 H12 I N Se -","- C21 H12 I N Se -","- C84 H48 I4 N4 Se4 -","4","1","","Li, Yuanyuan; Tao, Chenyu; Duan, Longhui; Gu, Zhenhua","Observation of the solvent enantio-isotope effect in asymmetric ring-opening of cyclic diaryliodoniums with selenocyanate","Chemical Science","2025","16","15","6488","6494","10.1039/D5SC00014A","","x-ray","1.54184","CuKα","","0.0379","0.0373","","","0.0962","0.0969","","","","","","1.027","","","","has coordinates","300635","2025-07-06","14:31:20",""
"1574136","9.3735","0.0005","11.1993","0.0006","11.3482","0.0005","63.903","0.005","80.905","0.004","86.542","0.004","1056.34","0.1","293.3","0.5","293.3","0.5","","","","","","","","6","P 1","P 1","1","","","","- C22 H21 I N2 O Se -","- C22 H21 I N2 O Se -","- C44 H42 I2 N4 O2 Se2 -","2","2","","Li, Yuanyuan; Tao, Chenyu; Duan, Longhui; Gu, Zhenhua","Observation of the solvent enantio-isotope effect in asymmetric ring-opening of cyclic diaryliodoniums with selenocyanate","Chemical Science","2025","16","15","6488","6494","10.1039/D5SC00014A","","x-ray","1.54184","CuKα","","0.1086","0.0917","","","0.2514","0.2709","","","","","","1.049","","","","has coordinates","300635","2025-07-06","14:31:24",""
"1574137","21.8575","0.0008","27.0119","0.0007","27.2218","0.0008","78.849","0.002","76.57","0.003","80.26","0.003","15206.9","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C272 H264 Cl45 N3 O6 -","- C257 H249 N3 O6 -","- C514 H498 N6 O12 -","2","1","","Chen, Yan; Chen, Xingyu; Li, Lin; Chen, Xiangping; Xia, Jianlong; Zhang, Lei","A triply linked propellane-nanoring hybrid serving as a good host","Chemical Science","2025","16","16","6822","6827","10.1039/D5SC00713E","","","1.54178","CuKα","","0.1357","0.084","","","0.1935","0.2053","","","","","","1.097","","","","has coordinates,has disorder","300607","2025-07-06","14:17:12",""
"1574138","16.4184","0.0002","29.5605","0.0004","16.8961","0.0002","90","","101.849","0.001","90","","8025.56","0.18","170","0.1","170","0.1","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C82 H88 Cl12 -","- C82 H88 Cl12 -","- C328 H352 Cl48 -","4","0.5","","Chen, Yan; Chen, Xingyu; Li, Lin; Chen, Xiangping; Xia, Jianlong; Zhang, Lei","A triply linked propellane-nanoring hybrid serving as a good host","Chemical Science","2025","16","16","6822","6827","10.1039/D5SC00713E","","x-ray","1.54184","CuKα","","0.092","0.0813","","","0.226","0.2358","","","","","","1.039","","","","has coordinates,has disorder","300607","2025-07-06","14:17:21",""
"1574139","22.4394","0.0011","25.032","0.0012","34.7003","0.0012","84.936","0.003","79.688","0.004","67.852","0.005","17756.8","1.5","170","2","170","2","","","","","","","","4","P -1","-P 1","2","","","","- C528 H353 N3 O6 -","- C437 H249 N3 O6 -","- C874 H498 N6 O12 -","2","1","","Chen, Yan; Chen, Xingyu; Li, Lin; Chen, Xiangping; Xia, Jianlong; Zhang, Lei","A triply linked propellane-nanoring hybrid serving as a good host","Chemical Science","2025","16","16","6822","6827","10.1039/D5SC00713E","","","1.54178","CuKα","","0.2463","0.1478","","","0.2824","0.3106","","","","","","1.029","","","","has coordinates","300607","2025-07-06","14:17:22",""
"1574140","6.6746","0.0004","8.0822","0.0006","13.784","0.001","95.756","0.002","99.723","0.002","97.231","0.002","721.43","0.09","99.99","","99.99","","","","","","","","","6","P -1","-P 1","2","","","","- C14 H8 Cl F3 O5 S -","- C14 H8 Cl F3 O5 S -","- C28 H16 Cl2 F6 O10 S2 -","2","1","","Krammer, Leo; Darnhofer, Barbara; Kljajic, Marko; Liesinger, Laura; Schittmayer, Matthias; Neshchadin, Dmytro; Gescheidt, Georg; Kollau, Alexander; Mayer, Bernd; Fischer, Roland C.; Wallner, Silvia; Macheroux, Peter; Birner-Gruenberger, Ruth; Breinbauer, Rolf","A general approach for activity-based protein profiling of oxidoreductases with redox-differentiated diarylhalonium warheads","Chemical Science","2025","16","15","6240","6256","10.1039/D4SC08454C","","x-ray","0.71073","MoKα","","0.0369","0.0349","","","0.0912","0.0925","","","","","","1.091","","","","has coordinates","300636","2025-07-06","14:31:36",""
"1574141","7.0091","0.0007","10.6673","0.0011","11.7572","0.0012","63.23","0.005","75.79","0.005","85.689","0.005","760.2","0.14","100.03","","100.03","","","","","","","","","6","P -1","-P 1","2","","","","- C14 H8 F3 I O5 S -","- C14 H8 F3 I O5 S -","- C28 H16 F6 I2 O10 S2 -","2","1","","Krammer, Leo; Darnhofer, Barbara; Kljajic, Marko; Liesinger, Laura; Schittmayer, Matthias; Neshchadin, Dmytro; Gescheidt, Georg; Kollau, Alexander; Mayer, Bernd; Fischer, Roland C.; Wallner, Silvia; Macheroux, Peter; Birner-Gruenberger, Ruth; Breinbauer, Rolf","A general approach for activity-based protein profiling of oxidoreductases with redox-differentiated diarylhalonium warheads","Chemical Science","2025","16","15","6240","6256","10.1039/D4SC08454C","","x-ray","0.71073","MoKα","","0.0783","0.043","","","0.0535","0.0609","","","","","","1.053","","","","has coordinates","300636","2025-07-06","14:31:37",""
"1574142","6.4902","0.0003","18.8943","0.0009","12.3367","0.0006","90","","95.462","0.002","90","","1505.95","0.12","100","2","99.98","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H8 Br F3 O5 S -","- C14 H8 Br F3 O5 S -","- C56 H32 Br4 F12 O20 S4 -","4","1","","Krammer, Leo; Darnhofer, Barbara; Kljajic, Marko; Liesinger, Laura; Schittmayer, Matthias; Neshchadin, Dmytro; Gescheidt, Georg; Kollau, Alexander; Mayer, Bernd; Fischer, Roland C.; Wallner, Silvia; Macheroux, Peter; Birner-Gruenberger, Ruth; Breinbauer, Rolf","A general approach for activity-based protein profiling of oxidoreductases with redox-differentiated diarylhalonium warheads","Chemical Science","2025","16","15","6240","6256","10.1039/D4SC08454C","","x-ray","0.71073","MoKα","","0.0265","0.0237","","","0.0606","0.062","","","","","","1.011","","","","has coordinates","300636","2025-07-06","14:31:37",""
"1574150","13.0425","0.0011","14.2978","0.0012","15.5953","0.0013","95.495","0.002","99.469","0.002","108.484","0.002","2686.4","0.4","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C57 H77 K N O6 P -","- C57 H77 K N O6 P -","- C114 H154 K2 N2 O12 P2 -","2","1","","Nasrullah, Ayu Afiqah; Zander, Edgar; Dankert, Fabian; Petrov, Andrey; Surkau, Jonas; Baráth, Eszter; Hering-Junghans, Christian","Coordination isomerism in dioxophosphorane cyanides","Chemical Science","2025","16","16","6909","6917","10.1039/D4SC07636B","","","0.71073","MoKα","","0.0525","0.0398","","","0.0998","0.1103","","","","","","1.015","","","","has coordinates","300614","2025-07-06","14:21:34",""
"1574151","10.4814","0.0006","20.0122","0.0012","26.3567","0.0015","91.519","0.002","99.269","0.002","99.707","0.002","5370","0.5","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C57 H77 N Na O8 P -","- C57.0035 H77.004 N Na O8 P -","- C228.014 H308.016 N4 Na4 O32 P4 -","4","2","","Nasrullah, Ayu Afiqah; Zander, Edgar; Dankert, Fabian; Petrov, Andrey; Surkau, Jonas; Baráth, Eszter; Hering-Junghans, Christian","Coordination isomerism in dioxophosphorane cyanides","Chemical Science","2025","16","16","6909","6917","10.1039/D4SC07636B","","","0.71073","MoKα","","0.0794","0.0504","","","0.1242","0.1472","","","","","","1.011","","","","has coordinates,has disorder","300614","2025-07-06","14:21:34",""
"1574152","12.4061","0.0007","40.667","0.002","22.5868","0.0013","90","","91.183","0.003","90","","11393","1.1","150","","150","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C57.01 H77.01 K N O6 P S2 -","- C57.0035 H77.004 K N O6 P S2 -","- C456.028 H616.032 K8 N8 O48 P8 S16 -","8","2","","Nasrullah, Ayu Afiqah; Zander, Edgar; Dankert, Fabian; Petrov, Andrey; Surkau, Jonas; Baráth, Eszter; Hering-Junghans, Christian","Coordination isomerism in dioxophosphorane cyanides","Chemical Science","2025","16","16","6909","6917","10.1039/D4SC07636B","","","1.54178","CuKα","","0.0371","0.0328","","","0.0876","0.0912","","","","","","1.034","","","","has coordinates,has disorder","300614","2025-07-06","14:21:34",""
"1574153","12.76","0.003","12.763","0.003","16.898","0.003","92.4","0.03","107.37","0.03","91.81","0.03","2621.3","1.1","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C55 H73 N Na O7 P -","- C55 H73 N Na O7 P -","- C110 H146 N2 Na2 O14 P2 -","2","1","","Nasrullah, Ayu Afiqah; Zander, Edgar; Dankert, Fabian; Petrov, Andrey; Surkau, Jonas; Baráth, Eszter; Hering-Junghans, Christian","Coordination isomerism in dioxophosphorane cyanides","Chemical Science","2025","16","16","6909","6917","10.1039/D4SC07636B","","","0.71073","MoKα","","0.0678","0.0436","","","0.1196","0.1293","","","","","","1.061","","","","has coordinates,has disorder","300614","2025-07-06","14:21:34",""
"1574154","14.5215","0.0004","18.3696","0.0005","20.0346","0.0006","82.909","0.001","83.658","0.001","77.776","0.001","5163.6","0.3","149.99","","149.99","","","","","","","","","6","P -1","-P 1","2","","","","- C86 H122 N2 Na2 O12 P2 -","- C86 H122 N2 Na2 O12 P2 -","- C172 H244 N4 Na4 O24 P4 -","2","1","","Nasrullah, Ayu Afiqah; Zander, Edgar; Dankert, Fabian; Petrov, Andrey; Surkau, Jonas; Baráth, Eszter; Hering-Junghans, Christian","Coordination isomerism in dioxophosphorane cyanides","Chemical Science","2025","16","16","6909","6917","10.1039/D4SC07636B","","","1.54178","CuKα","","0.0626","0.0565","","","0.1609","0.1684","","","","","","1.04","","","","has coordinates,has disorder","300614","2025-07-06","14:21:34",""
"1574155","14.468","0.003","17.705","0.004","18.868","0.004","70.73","0.03","77.25","0.03","75.49","0.03","4366.2","1.9","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C44.5 H61 N Na O5 P -","- C44.5 H61 N Na O5 P -","- C178 H244 N4 Na4 O20 P4 -","4","2","","Nasrullah, Ayu Afiqah; Zander, Edgar; Dankert, Fabian; Petrov, Andrey; Surkau, Jonas; Baráth, Eszter; Hering-Junghans, Christian","Coordination isomerism in dioxophosphorane cyanides","Chemical Science","2025","16","16","6909","6917","10.1039/D4SC07636B","","","0.71073","MoKα","","0.0944","0.0527","","","0.1384","0.1581","","","","","","0.971","","","","has coordinates,has disorder","300614","2025-07-06","14:21:34",""
"1574156","10.4542","0.0004","20.5804","0.0005","25.3528","0.0009","90","","92.771","0.003","90","","5448.3","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C57 H77 K N O7 P -","- C57 H77 K N O7 P -","- C228 H308 K4 N4 O28 P4 -","4","1","","Nasrullah, Ayu Afiqah; Zander, Edgar; Dankert, Fabian; Petrov, Andrey; Surkau, Jonas; Baráth, Eszter; Hering-Junghans, Christian","Coordination isomerism in dioxophosphorane cyanides","Chemical Science","2025","16","16","6909","6917","10.1039/D4SC07636B","","","0.71073","MoKα","","0.0701","0.0407","","","0.104","0.1115","","","","","","0.947","","","","has coordinates,has disorder","300614","2025-07-06","14:21:34",""
"1574157","10.4129","0.0004","14.6924","0.0006","19.2865","0.0008","98.68","0.002","90.422","0.002","110.288","0.002","2730.22","0.19","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C57 H77 K N O8 P -","- C57 H77 K N O8 P -","- C114 H154 K2 N2 O16 P2 -","2","1","","Nasrullah, Ayu Afiqah; Zander, Edgar; Dankert, Fabian; Petrov, Andrey; Surkau, Jonas; Baráth, Eszter; Hering-Junghans, Christian","Coordination isomerism in dioxophosphorane cyanides","Chemical Science","2025","16","16","6909","6917","10.1039/D4SC07636B","","","1.54178","CuKα","","0.0452","0.0365","","","0.0906","0.0974","","","","","","1.022","","","","has coordinates,has disorder","300614","2025-07-06","14:21:34",""
"1574158","9.5072","0.0006","11.2492","0.0007","13.1335","0.0009","92.018","0.003","92.253","0.003","106.884","0.003","1341.42","0.15","200","","200","","","","","","","","","7","P 1","P 1","1","","","","- C12 H12 Br F2 N O S -","- C12 H12 Br F2 N O S -","- C48 H48 Br4 F8 N4 O4 S4 -","4","4","","Baldon, Simone; Paut, Julien; Anselmi, Elsa; Dagousset, Guillaume; Tuccio, Béatrice; Pelosi, Giorgio; Cuadros, Sara; Magnier, Emmanuel; Dell’Amico, Luca","Radical photochemical difluorosulfoximination of alkenes and propellanes","Chemical Science","2025","16","16","6957","6964","10.1039/D5SC01068C","","","1.54178","CuKα","","0.0623","0.059","","","0.1699","0.1753","","","","","","1.055","","","","has coordinates,has disorder","300611","2025-07-06","14:19:24",""
"1574160","21.3086","0.0002","13.9591","0.0001","20.6685","0.0002","90","","118.573","0.002","90","","5399.07","0.13","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[{N(2,6-iPr-C6H3)}2(CMe)2CH]GaP[As{N(2,6-iPr-C6H3)}2(CH2)2]","","- C55 H79 As Ga N4 P -","- C55 H79 As Ga N4 P -","- C220 H316 As4 Ga4 N16 P4 -","4","1","","Szych, Lilian S.; Bresien, Jonas; Fischer, Lukas; Ernst, Moritz J.; Goicoechea, Jose M.","Reactivity of an arsanyl-phosphagallene: decarbonylation of CO2 and COS to form phosphaketenes","Chemical Science","2025","16","17","7397","7410","10.1039/D5SC00295H","","","1.54184","CuKα","","0.0301","0.0256","","","0.0658","0.0685","","","","","","1.024","","","","has coordinates","300587","2025-07-06","14:09:56",""
"1574161","12.2864","0.0002","25.6905","0.0003","20.8532","0.0002","90","","92.473","0.001","90","","6576.05","0.15","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","[{N(2,6-iPr-C6H3)}2(CMe)2CH]Ga[OCN(Mes)]PAs[{N(2,6-iPr-C6H3)}2(CH2)2]*0.5hex0.5C6H6","","- C68 H93 As Ga N5 O P -","- C68 H93 As Ga N5 O P -","- C272 H372 As4 Ga4 N20 O4 P4 -","4","1","","Szych, Lilian S.; Bresien, Jonas; Fischer, Lukas; Ernst, Moritz J.; Goicoechea, Jose M.","Reactivity of an arsanyl-phosphagallene: decarbonylation of CO2 and COS to form phosphaketenes","Chemical Science","2025","16","17","7397","7410","10.1039/D5SC00295H","","","1.54184","CuKα","","0.0532","0.0419","","","0.1047","0.114","","","","","","1.026","","","","has coordinates,has disorder","300587","2025-07-06","14:10:05",""
"1574162","13.3562","0.0001","24.7151","0.0002","18.592","0.0001","90","","91.831","0.001","90","","6134.08","0.08","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[{N(2,6-iPr-C6H3)}2(CMe)2CH]Ga(PCO)OAs[{N(2,6-iPr-C6H3)}2(CH2)2]*hex","","- C62 H93 As Ga N4 O2 P -","- C62 H93 As Ga N4 O2 P -","- C248 H372 As4 Ga4 N16 O8 P4 -","4","1","","Szych, Lilian S.; Bresien, Jonas; Fischer, Lukas; Ernst, Moritz J.; Goicoechea, Jose M.","Reactivity of an arsanyl-phosphagallene: decarbonylation of CO2 and COS to form phosphaketenes","Chemical Science","2025","16","17","7397","7410","10.1039/D5SC00295H","","","1.54184","CuKα","","0.0323","0.0274","","","0.0683","0.0721","","","","","","1.029","","","","has coordinates","300587","2025-07-06","14:10:05",""
"1574163","18.1433","0.0004","18.6339","0.0004","20.1323","0.0005","77.529","0.002","85.25","0.002","79.331","0.002","6524.4","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","{[{N(2,6-iPr-C6H3)}2(CMe)2CH]GaP[As{N(2,6-iPr-C6H3)}2(CH2)2]CS2}2*3.5pent","","- C129.5 H200 As2 Ga2 N8 P2 S4 -","- C129.5 H200 As2 Ga2 N8 P2 S4 -","- C259 H400 As4 Ga4 N16 P4 S8 -","2","1","","Szych, Lilian S.; Bresien, Jonas; Fischer, Lukas; Ernst, Moritz J.; Goicoechea, Jose M.","Reactivity of an arsanyl-phosphagallene: decarbonylation of CO2 and COS to form phosphaketenes","Chemical Science","2025","16","17","7397","7410","10.1039/D5SC00295H","","","1.54184","CuKα","","0.0593","0.042","","","0.1054","0.1183","","","","","","1.017","","","","has coordinates,has disorder","300587","2025-07-06","14:10:05",""
"1574164","13.4475","0.0002","20.8956","0.0003","24.4457","0.0003","90","","90","","90","","6869.08","0.17","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","[{N(2,6-iPr-C6H3)}2(CMe)2CH]Ga[CyNCNCy]PAs[{N(2,6-iPr-C6H3)}2(CH2)2]*C6H6","","- C74 H107 As Ga N6 P -","- C74 H107 As Ga N6 P -","- C296 H428 As4 Ga4 N24 P4 -","4","1","","Szych, Lilian S.; Bresien, Jonas; Fischer, Lukas; Ernst, Moritz J.; Goicoechea, Jose M.","Reactivity of an arsanyl-phosphagallene: decarbonylation of CO2 and COS to form phosphaketenes","Chemical Science","2025","16","17","7397","7410","10.1039/D5SC00295H","","","1.54184","CuKα","","0.0318","0.0286","","","0.0678","0.0696","","","","","","1.033","","","","has coordinates,has disorder","300587","2025-07-06","14:10:05",""
"1574165","15.3228","0.0001","14.2179","0.0001","15.4652","0.0001","90","","92.946","0.001","90","","3364.77","0.04","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","[(NDipp)2(CMe)2CH]Ga(CS2)PP[{N(2,6-iPr-C6H3)}2(CH2)2]*2hex","","- C68 H107 Ga N4 P2 S2 -","- C68 H107 Ga N4 P2 S2 -","- C136 H214 Ga2 N8 P4 S4 -","2","1","","Szych, Lilian S.; Bresien, Jonas; Fischer, Lukas; Ernst, Moritz J.; Goicoechea, Jose M.","Reactivity of an arsanyl-phosphagallene: decarbonylation of CO2 and COS to form phosphaketenes","Chemical Science","2025","16","17","7397","7410","10.1039/D5SC00295H","","","1.54184","CuKα","","0.0262","0.025","","","0.0631","0.0641","","","","","","1.04","","","","has coordinates,has disorder","300587","2025-07-06","14:10:05",""
"1574166","12.6878","0.0002","22.5101","0.0003","22.5732","0.0003","75.984","0.001","77.148","0.001","87.776","0.001","6097.57","0.15","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","[{N(2,6-iPr-C6H3)}2(CMe)2CH]Ga(tBuN3)PAs[{N(2,6-iPr-C6H3)}2(CH2)2]*0.5C6H6","","- C62 H91 As Ga N7 P -","- C62 H91 As Ga N7 P -","- C248 H364 As4 Ga4 N28 P4 -","4","2","","Szych, Lilian S.; Bresien, Jonas; Fischer, Lukas; Ernst, Moritz J.; Goicoechea, Jose M.","Reactivity of an arsanyl-phosphagallene: decarbonylation of CO2 and COS to form phosphaketenes","Chemical Science","2025","16","17","7397","7410","10.1039/D5SC00295H","","","1.54184","CuKα","","0.0303","0.0258","","","0.066","0.069","","","","","","1.021","","","","has coordinates","300587","2025-07-06","14:10:05",""
"1574167","21.6461","0.0001","16.5972","0.0001","22.5185","0.0001","90","","106.036","0.001","90","","7775.3","0.08","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[(NDipp)2(CMe)2CH]Ga(OCHPh)PAs[{N(2,6-iPr-C6H3)}2(CH2)2]*4C6H6","","- C86 H109 As Ga N4 O P -","- C86 H109 As Ga N4 O P -","- C344 H436 As4 Ga4 N16 O4 P4 -","4","1","","Szych, Lilian S.; Bresien, Jonas; Fischer, Lukas; Ernst, Moritz J.; Goicoechea, Jose M.","Reactivity of an arsanyl-phosphagallene: decarbonylation of CO2 and COS to form phosphaketenes","Chemical Science","2025","16","17","7397","7410","10.1039/D5SC00295H","","","1.54184","CuKα","","0.0532","0.0442","","","0.1097","0.1196","","","","","","1.039","","","","has coordinates,has disorder","300587","2025-07-06","14:10:05",""
"1574168","16.3651","0.0001","18.4812","0.0001","18.6521","0.0001","90","","90","","90","","5641.27","0.06","150","2","150","2","","","","","","","","7","P n a 21","P 2c -2n","33","","[(NDipp)2(CMe)2CH]Ga(O2C)2As{[N(2,6-iPr-C6H3)]2(CH2)2}","","- C57 H79 As Ga N4 O4 P -","- C57 H79 As Ga N4 O4 P -","- C228 H316 As4 Ga4 N16 O16 P4 -","4","1","","Szych, Lilian S.; Bresien, Jonas; Fischer, Lukas; Ernst, Moritz J.; Goicoechea, Jose M.","Reactivity of an arsanyl-phosphagallene: decarbonylation of CO2 and COS to form phosphaketenes","Chemical Science","2025","16","17","7397","7410","10.1039/D5SC00295H","","","1.54184","CuKα","","0.0357","0.0347","","","0.0952","0.0958","","","","","","1.076","","","","has coordinates","300587","2025-07-06","14:10:05",""
"1574169","26.5128","0.0016","13.4752","0.0007","33.7623","0.0019","90","","90","","90","","12062.1","1.2","175","2","175","2","","","","","","","","8","P n a 21","P 2c -2n","33","","[{N(2,6-iPr-C6H3)}2(CMe)2CH]GaP[As{N(2,6-iPr-C6H3)}2(CH2)2]","","- C63 H87 As Ga N4 O P S -","- C63 H87 As Ga N4 O P S -","- C504 H696 As8 Ga8 N32 O8 P8 S8 -","8","2","","Szych, Lilian S.; Bresien, Jonas; Fischer, Lukas; Ernst, Moritz J.; Goicoechea, Jose M.","Reactivity of an arsanyl-phosphagallene: decarbonylation of CO2 and COS to form phosphaketenes","Chemical Science","2025","16","17","7397","7410","10.1039/D5SC00295H","","","0.71073","MoKα","","0.0305","0.0263","","","0.0691","0.0726","","","","","","1.067","","","","has coordinates,has disorder","300587","2025-07-06","14:10:05",""
"1574170","24.3316","0.0019","30.387","0.002","18.6976","0.0009","90","","90","","90","","13824.3","1.6","297","2","297","2","","","","","","","","4","F m m 2","F 2 -2","42","","","","- C176 H80 In8 O64 -","- C176 H88 In8 O68 -","- C352 H176 In16 O136 -","2","0.125","","Li, Jiantang; Song, Zitong; Zhou, Xia; Wang, Xue; Feng, Meng; Wang, Dongmei; Chen, Banglin","Reticular chemistry guided function customization: a case study of constructing low-polarity channels for efficient C3H6/C2H4 separation","Chemical Science","2025","16","17","7411","7417","10.1039/D4SC07959K","","","1.54184","CuKα","","0.0572","0.0543","","","0.1701","0.1751","","","","","","1.113","","","","has coordinates","300581","2025-07-06","14:07:03",""
"1574171","11.1724","0.0009","14.0119","0.0009","17.0939","0.0012","90","","99.724","0.004","90","","2637.5","0.3","155","2","155","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H31 I N P -","- C29 H31 I N P -","- C116 H124 I4 N4 P4 -","4","1","","Wei, Jun-Hua; Xiao, Yao; Luo, Jian-Bin; He, Zi-Lin; Chen, Jing-Hua; Peng, Qing-Peng; Kuang, Dai-Bin","Anion–π interaction guided switchable TADF and low-temperature phosphorescence in phosphonium salts for multiplexed anti-counterfeiting","Chemical Science","2025","16","17","7239","7248","10.1039/D5SC00522A","","","0.71073","MoKα","","0.071","0.0545","","","0.1395","0.1465","","","","","","1.092","","","","has coordinates","300579","2025-07-06","14:06:15",""
"1574172","9.6378","0.0008","8.2283","0.0008","32.674","0.003","90","","94.38","0.003","90","","2583.6","0.4","100","2","99.99","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H31 B F4 N P -","- C29 H31 B F4 N P -","- C116 H124 B4 F16 N4 P4 -","4","1","","Wei, Jun-Hua; Xiao, Yao; Luo, Jian-Bin; He, Zi-Lin; Chen, Jing-Hua; Peng, Qing-Peng; Kuang, Dai-Bin","Anion–π interaction guided switchable TADF and low-temperature phosphorescence in phosphonium salts for multiplexed anti-counterfeiting","Chemical Science","2025","16","17","7239","7248","10.1039/D5SC00522A","","","0.71073","MoKα","","0.0639","0.043","","","0.096","0.1078","","","","","","1.046","","","","has coordinates","300579","2025-07-06","14:06:16",""
"1574173","9.2871","0.0003","13.5822","0.0005","21.8141","0.0008","90","","90","","90","","2751.61","0.17","100","2","100","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C30 H31 F3 N O3 P S -","- C30 H31 F3 N O3 P S -","- C120 H124 F12 N4 O12 P4 S4 -","4","1","","Wei, Jun-Hua; Xiao, Yao; Luo, Jian-Bin; He, Zi-Lin; Chen, Jing-Hua; Peng, Qing-Peng; Kuang, Dai-Bin","Anion–π interaction guided switchable TADF and low-temperature phosphorescence in phosphonium salts for multiplexed anti-counterfeiting","Chemical Science","2025","16","17","7239","7248","10.1039/D5SC00522A","","","0.71073","MoKα","","0.0387","0.0332","","","0.0731","0.0767","","","","","","1.049","","","","has coordinates","300579","2025-07-06","14:06:16",""
"1574174","11.896","0.006","12.504","0.006","14.801","0.007","90","","99.23","0.007","90","","2173.1","1.8","143","2","143","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","H-H","H-H","","- C22 H24 B10 -","- C22 H24 B10 -","- C88 H96 B40 -","4","1","","Yuhara, Kazuhiro; Tanaka, Kazuo","Solid-state temperature-dependent luminescence of C,C′-diaryl-o-carboranes based on restriction of excited-state structural relaxation","Chemical Science","2025","16","15","6495","6506","10.1039/D5SC00875A","","","0.71075","MoKα","","0.1913","0.1187","","","0.1853","0.2188","","","","","","1.13","","","","has coordinates","300640","2025-07-06","14:34:35",""
"1574175","30.14","0.007","10.366","0.002","17.799","0.004","90","","123.658","0.002","90","","4628.7","1.7","143","2","143","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Br-Br","Br-Br","","- C22 H22 B10 Br2 -","- C22 H22 B10 Br2 -","- C176 H176 B80 Br16 -","8","1","","Yuhara, Kazuhiro; Tanaka, Kazuo","Solid-state temperature-dependent luminescence of C,C′-diaryl-o-carboranes based on restriction of excited-state structural relaxation","Chemical Science","2025","16","15","6495","6506","10.1039/D5SC00875A","","","0.71075","MoKα","","0.0421","0.0281","","","0.0611","0.0631","","","","","","0.824","","","","has coordinates","300640","2025-07-06","14:34:35",""
"1574176","9.459","0.004","11.316","0.005","12.775","0.006","109.65","0.005","100.826","0.003","99.41","0.005","1226.3","0.9","143","2","143","2","","","","","","","","4","P -1","-P 1","2","T-H","T-H","","- C26 H26 B10 S -","- C26 H26 B10 S -","- C52 H52 B20 S2 -","2","1","","Yuhara, Kazuhiro; Tanaka, Kazuo","Solid-state temperature-dependent luminescence of C,C′-diaryl-o-carboranes based on restriction of excited-state structural relaxation","Chemical Science","2025","16","15","6495","6506","10.1039/D5SC00875A","","","0.71075","MoKα","","0.0649","0.0416","","","0.0944","0.099","","","","","","0.872","","","","has coordinates","300640","2025-07-06","14:34:35",""
"1574177","30.08","0.008","10.105","0.003","17.857","0.005","90","","124.97","0.003","90","","4448","2","143","2","143","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Br-H","Br-H","","- C22 H23 B10 Br -","- C22 H23 B10 Br -","- C176 H184 B80 Br8 -","8","1","","Yuhara, Kazuhiro; Tanaka, Kazuo","Solid-state temperature-dependent luminescence of C,C′-diaryl-o-carboranes based on restriction of excited-state structural relaxation","Chemical Science","2025","16","15","6495","6506","10.1039/D5SC00875A","","","0.71075","MoKα","","0.0486","0.037","","","0.1031","0.1153","","","","","","0.777","","","","has coordinates","300640","2025-07-06","14:34:35",""
"1574178","11.912","0.002","12.511","0.002","14.825","0.003","90","","99.261","0.003","90","","2180.6","0.7","208","2","208","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","H-H","","- C22 H24 B10 -","- C22 H24 B10 -","- C88 H96 B40 -","4","1","","Yuhara, Kazuhiro; Tanaka, Kazuo","Solid-state temperature-dependent luminescence of C,C′-diaryl-o-carboranes based on restriction of excited-state structural relaxation","Chemical Science","2025","16","15","6495","6506","10.1039/D5SC00875A","","","0.71075","MoKα","","0.06","0.0462","","","0.1201","0.1294","","","","","","1.083","","","","has coordinates","300640","2025-07-06","14:34:35",""
"1574179","11.91","0.003","12.514","0.003","14.838","0.003","90","","99.142","0.003","90","","2183.4","0.9","243","2","243","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","H-H","","- C22 H24 B10 -","- C22 H24 B10 -","- C88 H96 B40 -","4","1","","Yuhara, Kazuhiro; Tanaka, Kazuo","Solid-state temperature-dependent luminescence of C,C′-diaryl-o-carboranes based on restriction of excited-state structural relaxation","Chemical Science","2025","16","15","6495","6506","10.1039/D5SC00875A","","","0.71075","MoKα","","0.0639","0.0488","","","0.1263","0.1381","","","","","","0.962","","","","has coordinates","300640","2025-07-06","14:34:35",""
"1574180","11.075","0.004","19.436","0.008","13.485","0.005","90","","97.585","0.007","90","","2877.3","1.9","143","2","143","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","T-T","T-T","","- C30 H28 B10 S2 -","- C30 H28 B10 S2 -","- C120 H112 B40 S8 -","4","1","","Yuhara, Kazuhiro; Tanaka, Kazuo","Solid-state temperature-dependent luminescence of C,C′-diaryl-o-carboranes based on restriction of excited-state structural relaxation","Chemical Science","2025","16","15","6495","6506","10.1039/D5SC00875A","","","0.71075","MoKα","","0.1054","0.0742","","","0.1658","0.1864","","","","","","1.092","","","","has coordinates,has disorder","300640","2025-07-06","14:34:35",""
"1574181","10.6028","0.001","14.0739","0.0012","18.2273","0.0016","79.307","0.004","73.787","0.004","73.152","0.004","2483.4","0.4","200","0.2","200","0.2","","","","","","","","7","P 1","P 1","1","","","","- C26.25 H23.5 Br Cl0.5 N O2 P -","- C26.25 H23.5 Br Cl0.5 N O2 P -","- C105 H94 Br4 Cl2 N4 O8 P4 -","4","4","","Luo, Shihui; Yuan, Xinzhu; Cheng, Jiangtao; Yang, Zhiping; Huang, Zhongxing; Wang, Jun (Joelle)","Enantioselective Zn-catalyzed hydrophosphinylation of nitrones: an efficient approach for constructing chiral α-hydroxyamino-phosphine oxides","Chemical Science","2025","16","16","7051","7056","10.1039/D5SC01453K","","x-ray","1.34138","GaKα","","0.0701","0.0628","","","0.1795","0.187","","","","","","1.111","","","","has coordinates,has disorder","300603","2025-07-06","14:15:53",""
"1574182","41.575","0.003","41.575","0.003","17.6054","0.0018","90","","90","","120","","26354","4","170","","170","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C66 H46 B2 N2 O2 -","- C66 H46 B2 N2 O2 -","- C1188 H828 B36 N36 O36 -","18","1","","Wang, Xiaowei; Hua, Tao; Li, Nengquan; Chen, Guohao; Chen, Zhanxiang; Miao, Jingsheng; Cao, Xiaosong; Yang, Chuluo","Narrowband multi-resonance pure-red emitters via enhanced molecular orbital delocalization for high-performance organic light-emitting diodes","Chemical Science","2025","16","17","7495","7502","10.1039/D5SC01439E","","","1.34139","GaKα","","0.1575","0.0881","","","0.2167","0.265","","","","","","0.965","","","","has coordinates","300589","2025-07-06","14:10:45",""
"1574183","7.2681","0.0008","10.3927","0.001","19.5823","0.0019","89.272","0.003","87.184","0.004","87.05","0.004","1475.3","0.3","130","0.5","130","0.5","","","","","","","","7","P -1","-P 1","2","","","","- C28 H34 Br K0.89 N2 Na0.11 O10 -","- C28 H34 Br K0.886 N2 Na0.114 O10 -","- C56 H68 Br2 K1.772 N4 Na0.228 O20 -","2","1","","Zaleskaya-Hernik, Marta; Salam, Rayhanus; González, Mario J.; Wilczek, Marcin; Dobrzycki, Łukasz; Busschaert, Nathalie; Romański, Jan","Squaramide-based ion pair receptors can facilitate transmembrane transport of KCl and zwitterions including highly polar amino acids","Chemical Science","2025","16","16","6982","6990","10.1039/D5SC00866B","","","0.71073","MoKα","","0.0557","0.0484","","","0.1048","0.1078","","","","","","1.212","","","","has coordinates,has disorder","300605","2025-07-06","14:16:34",""
"1574186","20.1153","0.0003","24.4281","0.0003","15.72562","0.00018","90","","89.9918","0.0011","90","","7727.23","0.17","220","0.15","220","0.15","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C80 H60 N6 O13 -","- C80 H60 N6 O13 -","- C320 H240 N24 O52 -","4","1","","Cui, Jialin; Wang, Hui; Liu, Hui; Yu, Hailong; Wang, Wei; Wang, Yu; Zhao, Yingjie","Single-crystal chiral two-dimensional supramolecular organic frameworks for tunable circularly polarized luminescence","Chemical Science","2025","16","17","7513","7522","10.1039/D4SC08811E","","x-ray","1.54184","CuKα","","0.0539","0.0477","","","0.1372","0.1442","","","","","","1.041","","","","has coordinates,has disorder","300586","2025-07-06","14:09:10",""
"1574187","24.6956","0.0004","24.6956","0.0004","25.1324","0.0005","90","","90","","120","","13274.1","0.4","100","0.1","100","0.1","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C55 H38 Cl4 N4 O8 -","- C55 H38 Cl4 N4 O8 -","- C495 H342 Cl36 N36 O72 -","9","0.5","","Cui, Jialin; Wang, Hui; Liu, Hui; Yu, Hailong; Wang, Wei; Wang, Yu; Zhao, Yingjie","Single-crystal chiral two-dimensional supramolecular organic frameworks for tunable circularly polarized luminescence","Chemical Science","2025","16","17","7513","7522","10.1039/D4SC08811E","","x-ray","1.54184","CuKα","","0.0767","0.0727","","","0.2146","0.2201","","","","","","1.089","","","","has coordinates,has disorder","300586","2025-07-06","14:09:11",""
"1574188","24.0509","0.0004","24.0509","0.0004","25.9832","0.0004","90","","90","","120","","13016.3","0.4","99.98","0.1","99.98","0.1","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C193 H141 Cl21 N12 O24 -","- C193.003 H141.005 Cl21.006 N12 O24 -","- C579.01 H423.014 Cl63.018 N36 O72 -","3","0.166667","","Cui, Jialin; Wang, Hui; Liu, Hui; Yu, Hailong; Wang, Wei; Wang, Yu; Zhao, Yingjie","Single-crystal chiral two-dimensional supramolecular organic frameworks for tunable circularly polarized luminescence","Chemical Science","2025","16","17","7513","7522","10.1039/D4SC08811E","","x-ray","1.54184","CuKα","","0.0721","0.0681","","","0.1871","0.1907","","","","","","1.067","","","","has coordinates,has disorder","300586","2025-07-06","14:09:13",""
"1574189","24.712","0.0005","24.712","0.0005","25.1045","0.0005","90","","90","","120","","13276.9","0.5","99.98","0.1","99.98","0.1","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C55 H38 Cl4 N4 O8 -","- C55 H38 Cl4 N4 O8 -","- C495 H342 Cl36 N36 O72 -","9","0.5","","Cui, Jialin; Wang, Hui; Liu, Hui; Yu, Hailong; Wang, Wei; Wang, Yu; Zhao, Yingjie","Single-crystal chiral two-dimensional supramolecular organic frameworks for tunable circularly polarized luminescence","Chemical Science","2025","16","17","7513","7522","10.1039/D4SC08811E","","x-ray","1.54184","CuKα","","0.0786","0.0749","","","0.2226","0.2266","","","","","","1.093","","","","has coordinates,has disorder","300586","2025-07-06","14:09:13",""
"1574190","24.6536","0.0008","24.6536","0.0008","25.2258","0.0012","90","","90","","120","","13278.1","0.9","298","2","298","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C57 H40 Cl2 N4 O8 -","- C57 H40 Cl2 N4 O8 -","- C513 H360 Cl18 N36 O72 -","9","1","","Cui, Jialin; Wang, Hui; Liu, Hui; Yu, Hailong; Wang, Wei; Wang, Yu; Zhao, Yingjie","Single-crystal chiral two-dimensional supramolecular organic frameworks for tunable circularly polarized luminescence","Chemical Science","2025","16","17","7513","7522","10.1039/D4SC08811E","","x-ray","0.71073","MoKα","","0.093","0.0558","","","0.145","0.1607","","","","","","1.07","","","","has coordinates,has disorder","300586","2025-07-06","14:09:13",""
"1574191","24.0472","0.0004","24.0472","0.0004","25.966","0.0005","90","","90","","120","","13003.6","0.4","99.99","0.1","99.99","0.1","","","","","","","","4","R 3 2 :H","R 3 2""","155","","","","- C180 H120 N12 O24 -","- C180 H120 N12 O24 -","- C540 H360 N36 O72 -","3","0.166667","","Cui, Jialin; Wang, Hui; Liu, Hui; Yu, Hailong; Wang, Wei; Wang, Yu; Zhao, Yingjie","Single-crystal chiral two-dimensional supramolecular organic frameworks for tunable circularly polarized luminescence","Chemical Science","2025","16","17","7513","7522","10.1039/D4SC08811E","","x-ray","1.54184","CuKα","","0.1251","0.1157","","","0.2923","0.304","","","","","","1.046","","","","has coordinates","300586","2025-07-06","14:09:13",""
"1574192","25.5478","0.0005","20.7666","0.0002","31.3909","0.0005","90","","110.188","0.002","90","","15631","0.5","100","0.4","100","0.4","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C84 H80 Cl6 O4 S2 -","- C84 H80 Cl6 O4 S2 -","- C672 H640 Cl48 O32 S16 -","8","1","","Zhang, Ruiying; Chen, Xinyu; Zhu, Lingyun; Huang, Yanxia; Zhai, Zi'ang; Wang, Qiang; Wang, Lingding; Wang, Taosong; Wang, Wei-Zhen; Ye, Ke-Yin; Li, Yuanming","Thiophene-backbone arcuate graphene nanoribbons: shotgun synthesis and length dependent properties","Chemical Science","2025","16","17","7366","7373","10.1039/D4SC08353A","","x-ray","1.3405","GaKα","","0.095","0.0842","","","0.2435","0.2535","","","","","","1.034","","","","has coordinates","300582","2025-07-06","14:07:17",""
"1574193","10.3995","0.0002","16.4712","0.0002","40.5773","0.0005","90","","91.448","0.001","90","","6948.36","0.18","100","0.9","100","0.9","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C82 H78 S2 -","- C82 H78 S2 -","- C328 H312 S8 -","4","1","","Zhang, Ruiying; Chen, Xinyu; Zhu, Lingyun; Huang, Yanxia; Zhai, Zi'ang; Wang, Qiang; Wang, Lingding; Wang, Taosong; Wang, Wei-Zhen; Ye, Ke-Yin; Li, Yuanming","Thiophene-backbone arcuate graphene nanoribbons: shotgun synthesis and length dependent properties","Chemical Science","2025","16","17","7366","7373","10.1039/D4SC08353A","","x-ray","1.3405","micro-focusmetaljet","","0.0897","0.0791","","","0.2132","0.2214","","","","","","1.047","","","","has coordinates","300582","2025-07-06","14:07:18",""
"1574195","11.6654","0.0009","19.2138","0.0015","19.8632","0.0016","93.254","0.002","103.495","0.002","105.235","0.002","4143.8","0.6","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C40.5 H61 Mo O3 P2 S -","- C40.5 H61 Mo O3 P2 S -","- C162 H244 Mo4 O12 P8 S4 -","4","2","","Mandal, Souvik; Zhou, Xiaoguang; Bruch, Quinton J.; Allen, Rachel N.; Giordano, Laurence W.; Walker, Nicholas J. I.; Emge, Thomas J.; Hasanayn, Faraj; Miller, Alexander J. M.; Malakar, Santanu; Goldman, Alan S.","Dinitrogen reduction to ammonia with a pincer-Mo complex: new insights into the mechanism of nitride-to-ammonia conversion","Chemical Science","2025","16","17","7347","7365","10.1039/D5SC00454C","","","0.71073","MoKα","","0.0856","0.0639","","","0.1372","0.1464","","","","","","1.099","","","","has coordinates,has disorder","300583","2025-07-06","14:07:53",""
"1574196","10.0985","0.0017","12.043","0.002","16.428","0.003","76.957","0.003","82.444","0.003","73.782","0.003","1863.9","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H55 I Mo N P2 S -","- C35 H55 I Mo N P2 S -","- C70 H110 I2 Mo2 N2 P4 S2 -","2","1","","Mandal, Souvik; Zhou, Xiaoguang; Bruch, Quinton J.; Allen, Rachel N.; Giordano, Laurence W.; Walker, Nicholas J. I.; Emge, Thomas J.; Hasanayn, Faraj; Miller, Alexander J. M.; Malakar, Santanu; Goldman, Alan S.","Dinitrogen reduction to ammonia with a pincer-Mo complex: new insights into the mechanism of nitride-to-ammonia conversion","Chemical Science","2025","16","17","7347","7365","10.1039/D5SC00454C","","","0.71073","MoKα","","0.1065","0.0705","","","0.1396","0.1546","","","","","","1.066","","","","has coordinates","300583","2025-07-06","14:07:53",""
"1574197","31.877","0.008","14.204","0.004","18.861","0.005","90","","90","","90","","8540","4","426","2","426","2","","","","","","","","7","P c c a","-P 2a 2ac","54","","","","- C41 H65.5 Mo N O2 P2 S -","- C41 H65.5 Mo N O2 P2 S -","- C328 H524 Mo8 N8 O16 P16 S8 -","8","1","","Mandal, Souvik; Zhou, Xiaoguang; Bruch, Quinton J.; Allen, Rachel N.; Giordano, Laurence W.; Walker, Nicholas J. I.; Emge, Thomas J.; Hasanayn, Faraj; Miller, Alexander J. M.; Malakar, Santanu; Goldman, Alan S.","Dinitrogen reduction to ammonia with a pincer-Mo complex: new insights into the mechanism of nitride-to-ammonia conversion","Chemical Science","2025","16","17","7347","7365","10.1039/D5SC00454C","","","0.71073","MoKα","","0.1222","0.0913","","","0.1875","0.2014","","","","","","1.166","","","","has coordinates,has disorder","300583","2025-07-06","14:07:53",""
"1574198","18.017","0.003","13.531","0.003","18.041","0.003","90","","97.035","0.003","90","","4365.1","1.4","120","2","120","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C41 H63 Cl I Mo N P2 S -","- C41 H63 Cl I Mo N P2 S -","- C164 H252 Cl4 I4 Mo4 N4 P8 S4 -","4","1","","Mandal, Souvik; Zhou, Xiaoguang; Bruch, Quinton J.; Allen, Rachel N.; Giordano, Laurence W.; Walker, Nicholas J. I.; Emge, Thomas J.; Hasanayn, Faraj; Miller, Alexander J. M.; Malakar, Santanu; Goldman, Alan S.","Dinitrogen reduction to ammonia with a pincer-Mo complex: new insights into the mechanism of nitride-to-ammonia conversion","Chemical Science","2025","16","17","7347","7365","10.1039/D5SC00454C","","","0.71073","MoKα","","0.0706","0.0574","","","0.1452","0.1541","","","","","","1.095","","","","has coordinates,has disorder","300583","2025-07-06","14:07:53",""
"1574199","31.9495","0.0003","14.14073","0.00019","18.9898","0.0002","90","","90","","90","","8579.39","0.17","100","2","100","2","","","","","","","","7","P c c a","-P 2a 2ac","54","","","","- C38 H63.5 Mo N5 O0.75 P2 S -","- C38 H63.5 Mo N5 O0.75 P2 S -","- C304 H508 Mo8 N40 O6 P16 S8 -","8","1","","Mandal, Souvik; Zhou, Xiaoguang; Bruch, Quinton J.; Allen, Rachel N.; Giordano, Laurence W.; Walker, Nicholas J. I.; Emge, Thomas J.; Hasanayn, Faraj; Miller, Alexander J. M.; Malakar, Santanu; Goldman, Alan S.","Dinitrogen reduction to ammonia with a pincer-Mo complex: new insights into the mechanism of nitride-to-ammonia conversion","Chemical Science","2025","16","17","7347","7365","10.1039/D5SC00454C","","","1.54184","CuKα","","0.0667","0.0546","","","0.1249","0.1318","","","","","","1.109","","","","has coordinates,has disorder","300583","2025-07-06","14:07:53",""
"1574200","37.379","0.003","11.6548","0.0011","37.069","0.003","90","","90.266","0.003","90","","16149","2","120","2","120","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C37 H60 Cl3 Mo O0.5 P2 S -","- C37 H60 Cl2.9985 Mo0.9995 O0.5 P2 S -","- C592 H960 Cl47.976 Mo15.992 O8 P32 S16 -","16","2","","Mandal, Souvik; Zhou, Xiaoguang; Bruch, Quinton J.; Allen, Rachel N.; Giordano, Laurence W.; Walker, Nicholas J. I.; Emge, Thomas J.; Hasanayn, Faraj; Miller, Alexander J. M.; Malakar, Santanu; Goldman, Alan S.","Dinitrogen reduction to ammonia with a pincer-Mo complex: new insights into the mechanism of nitride-to-ammonia conversion","Chemical Science","2025","16","17","7347","7365","10.1039/D5SC00454C","","","0.71073","MoKα","","0.1393","0.0846","","","0.1713","0.1951","","","","","","1.052","","","","has coordinates,has disorder","300583","2025-07-06","14:07:53",""
"1574201","4.9533","0.001","16.174","0.003","32.778","0.006","101.872","0.003","93.3","0.004","97.149","0.004","2540.5","0.8","130","2","130","2","","","","","","","","6","P -1","-P 1","2","Celecoxib form I","4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide","","- C17 H14 F3 N3 O2 S -","- C17 H14 F3 N3 O2 S -","- C102 H84 F18 N18 O12 S6 -","6","3","","Zhou, Zhengzheng; Joshi, Vikram Chandrashekhar; Guo, Yiwang; Xiang, Tianyi; Wang, Zijian; Sun, Changquan Calvin","How elastically flexible can molecular crystals be? - a new record.","Chemical science","2025","16","14","5797","5802","10.1039/d5sc01260k","","","0.71073","MoKα","","0.0667","0.0442","","","0.0932","0.1026","","","","","","1.041","","","","has coordinates","298829","2025-04-05","02:31:39",""
"1574203","17.014","0.0002","9.10342","0.00011","18.838","0.0003","90","","90","","90","","2917.73","0.07","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C32 H32 F3 O4 P S -","- C32 H32 F3 O4 P S -","- C128 H128 F12 O16 P4 S4 -","4","1","","Curran, Dara T.; Szydło, Marcin; Müller-Bunz, Helge; Nikitin, Kirill; Byrne, Peter A.","Direct synthesis of ethers from alcohols & aldehydes enabled by an oxocarbenium ion interception strategy","Chemical Science","2025","16","16","6991","7003","10.1039/D4SC06203E","","","0.71073","MoKα","","0.0341","0.0304","","","0.0671","0.0701","","","","","","1.062","","","","has coordinates","300606","2025-07-06","14:16:45",""
"1574204","9.49648","0.00007","16.7085","0.00012","18.7984","0.00013","90","","95.9804","0.0006","90","","2966.55","0.04","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C29 H25 Cl3 F3 O4 P S -","- C29 H25 Cl3 F3 O4 P S -","- C116 H100 Cl12 F12 O16 P4 S4 -","4","1","","Curran, Dara T.; Szydło, Marcin; Müller-Bunz, Helge; Nikitin, Kirill; Byrne, Peter A.","Direct synthesis of ethers from alcohols & aldehydes enabled by an oxocarbenium ion interception strategy","Chemical Science","2025","16","16","6991","7003","10.1039/D4SC06203E","","","1.54184","CuKα","","0.0418","0.04","","","0.1044","0.1059","","","","","","1.045","","","","has coordinates","300606","2025-07-06","14:16:46",""
"1574205","9.7701","0.0002","13.8333","0.0002","25.5578","0.0004","90","","95.956","0.002","90","","3435.56","0.1","149.99","0.11","149.99","0.11","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H32 N10 O12 Zn2 -","- C32 H32 N10 O12 Zn2 -","- C128 H128 N40 O48 Zn8 -","4","0.5","","Koirala, Shailendra; Gaspar, Miguel A.; Wijesundara, Yalini H.; Li, Dong-Hao; Gadhvi, Jashkaran G.; Ehrman, Ryanne N.; Cornelius, Samuel A.; Mariasoosai, Charles; Nguyen, Thien-Quang N.; Trashi, Orikeda; Trashi, Ikeda; Kumari, Sneha; Hagge, Laurel M.; Howlett, Thomas S.; Torabifard, Hedieh; Smith, Bradley D.; De Nisco, Nicole J.; Gassensmith, Jeremiah J.","Fluorescent molecular probe for in vivo and in vitro targeting and imaging of an intracellular bacterial infection","Chemical Science","2025","16","18","7902","7911","10.1039/D4SC05680A","","x-ray","1.54184","CuKα","","0.0388","0.0345","","","0.0879","0.0904","","","","","","1.048","","","","has coordinates","300654","2025-07-06","14:41:47",""
"1574206","10.165","0.0003","10.5732","0.0004","20.3723","0.0008","100.082","0.003","101.234","0.003","94.294","0.003","2100.92","0.14","149.99","0.13","149.99","0.13","","","","","","","","6","P -1","-P 1","2","","","","- C38 H37 F6 N9 O11 Zn2 -","- C38 H37 F6 N9 O11 Zn2 -","- C76 H74 F12 N18 O22 Zn4 -","2","1","","Koirala, Shailendra; Gaspar, Miguel A.; Wijesundara, Yalini H.; Li, Dong-Hao; Gadhvi, Jashkaran G.; Ehrman, Ryanne N.; Cornelius, Samuel A.; Mariasoosai, Charles; Nguyen, Thien-Quang N.; Trashi, Orikeda; Trashi, Ikeda; Kumari, Sneha; Hagge, Laurel M.; Howlett, Thomas S.; Torabifard, Hedieh; Smith, Bradley D.; De Nisco, Nicole J.; Gassensmith, Jeremiah J.","Fluorescent molecular probe for in vivo and in vitro targeting and imaging of an intracellular bacterial infection","Chemical Science","2025","16","18","7902","7911","10.1039/D4SC05680A","","x-ray","1.54184","CuKα","","0.0373","0.0349","","","0.0948","0.0964","","","","","","1.069","","","","has coordinates","300654","2025-07-06","14:41:48",""
"1574207","12.061","0.003","15.143","0.004","12.602","0.003","90","","97.363","0.006","90","","2282.6","1","100","","100","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","KT-75","","- C36 H64 Cr O2 Si5 -","- C36 H64 Cr O2 Si5 -","- C72 H128 Cr2 O4 Si10 -","2","0.5","","Tomer, Kanishk; Schnakenburg, Gregor; Das, Ujjal; Filippou, Alexander C.","Metal–silicon triple bonds: reactivity of the silylidyne complexes [Cp*(CO)2M≡Si–Tbb] (M = Cr – W)","Chemical Science","2025","16","18","7773","7793","10.1039/D5SC01063B","","x-ray","0.71073","MoKα","","0.1195","0.083","","","0.23","0.2701","","","","","","1.025","","","","has coordinates,has disorder","300652","2025-07-06","14:40:19",""
"1574208","11.5444","0.0003","12.8236","0.0004","15.6549","0.0005","75.7391","0.0015","73.0022","0.0015","83.412","0.0015","2145.74","0.11","100","","100","","","","","","","","","5","P -1","-P 1","2","","SH-50.03","","- C36 H64 O2 Si5 W -","- C36 H64 O2 Si5 W -","- C72 H128 O4 Si10 W2 -","2","1","","Tomer, Kanishk; Schnakenburg, Gregor; Das, Ujjal; Filippou, Alexander C.","Metal–silicon triple bonds: reactivity of the silylidyne complexes [Cp*(CO)2M≡Si–Tbb] (M = Cr – W)","Chemical Science","2025","16","18","7773","7793","10.1039/D5SC01063B","","","0.71073","MoKα","","0.0328","0.0261","","","0.0488","0.0509","","","","","","1.013","","","","has coordinates","300652","2025-07-06","14:40:19",""
"1574209","14.6764","0.0003","15.6767","0.0003","26.4415","0.0004","90","","93.7959","0.0016","90","","6070.25","0.19","123","","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","KT-54","","- C56 H86 Mo N2 O4 Si5 -","- C56 H86 Mo N2 O4 Si5 -","- C224 H344 Mo4 N8 O16 Si20 -","4","1","","Tomer, Kanishk; Schnakenburg, Gregor; Das, Ujjal; Filippou, Alexander C.","Metal–silicon triple bonds: reactivity of the silylidyne complexes [Cp*(CO)2M≡Si–Tbb] (M = Cr – W)","Chemical Science","2025","16","18","7773","7793","10.1039/D5SC01063B","","","0.71073","MoKα","","0.066","0.0374","","","0.0782","0.0848","","","","","","1.011","","","","has coordinates","300652","2025-07-06","14:40:19",""
"1574210","13.441","0.0002","14.406","0.0002","34.6694","0.0005","90","","99.326","0.001","90","","6624.34","0.17","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","KT-14","","- C63 H94 N2 O4 Si5 W -","- C63 H94 N2 O4 Si5 W -","- C252 H376 N8 O16 Si20 W4 -","4","1","","Tomer, Kanishk; Schnakenburg, Gregor; Das, Ujjal; Filippou, Alexander C.","Metal–silicon triple bonds: reactivity of the silylidyne complexes [Cp*(CO)2M≡Si–Tbb] (M = Cr – W)","Chemical Science","2025","16","18","7773","7793","10.1039/D5SC01063B","","","0.71073","MoKα","","0.0819","0.0393","","","0.0773","0.0856","","","","","","0.876","","","","has coordinates,has disorder","300652","2025-07-06","14:40:19",""
"1574211","12.1671","0.0003","42.6785","0.001","12.6572","0.0004","90","","118.635","0.002","90","","5768.7","0.3","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","KT-167","","- C44 H84 Mo N4 O2 Si7 -","- C44 H84 Mo N4 O2 Si7 -","- C176 H336 Mo4 N16 O8 Si28 -","4","1","","Tomer, Kanishk; Schnakenburg, Gregor; Das, Ujjal; Filippou, Alexander C.","Metal–silicon triple bonds: reactivity of the silylidyne complexes [Cp*(CO)2M≡Si–Tbb] (M = Cr – W)","Chemical Science","2025","16","18","7773","7793","10.1039/D5SC01063B","","","0.71073","MoKα","","0.0863","0.0761","","","0.1797","0.1874","","","","","","1.031","","","","has coordinates,has disorder","300652","2025-07-06","14:40:19",""
"1574212","13.2535","0.0004","22.9327","0.0008","16.6254","0.0005","90","","98.153","0.002","90","","5002","0.3","123","","123","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","KT-125","","- C45 H75 Mo N O2 Si5 -","- C45 H75 Mo N O2 Si5 -","- C180 H300 Mo4 N4 O8 Si20 -","4","1","","Tomer, Kanishk; Schnakenburg, Gregor; Das, Ujjal; Filippou, Alexander C.","Metal–silicon triple bonds: reactivity of the silylidyne complexes [Cp*(CO)2M≡Si–Tbb] (M = Cr – W)","Chemical Science","2025","16","18","7773","7793","10.1039/D5SC01063B","","","0.71073","MoKα","","0.0818","0.0544","","","0.1089","0.1179","","","","","","1.065","","","","has coordinates","300652","2025-07-06","14:40:19",""
"1574213","11.5351","0.0007","12.8114","0.0007","15.6333","0.0009","75.707","0.003","73.035","0.003","83.321","0.003","2138.9","0.2","100","","100","","","","","","","","","5","P -1","-P 1","2","","SH-49.02","","- C36 H64 Mo O2 Si5 -","- C36 H64 Mo O2 Si5 -","- C72 H128 Mo2 O4 Si10 -","2","1","","Tomer, Kanishk; Schnakenburg, Gregor; Das, Ujjal; Filippou, Alexander C.","Metal–silicon triple bonds: reactivity of the silylidyne complexes [Cp*(CO)2M≡Si–Tbb] (M = Cr – W)","Chemical Science","2025","16","18","7773","7793","10.1039/D5SC01063B","","","0.71073","MoKα","","0.0835","0.051","","","0.1132","0.1231","","","","","","1.052","","","","has coordinates","300652","2025-07-06","14:40:19",""
"1574214","17.438","0.003","16.527","0.003","33.683","0.01","90","","90","","90","","9707","4","123","","123","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","KT-284","","- C40 H72 Mo O3 Si5 -","- C40 H72 Mo O3 Si5 -","- C320 H576 Mo8 O24 Si40 -","8","1","","Tomer, Kanishk; Schnakenburg, Gregor; Das, Ujjal; Filippou, Alexander C.","Metal–silicon triple bonds: reactivity of the silylidyne complexes [Cp*(CO)2M≡Si–Tbb] (M = Cr – W)","Chemical Science","2025","16","18","7773","7793","10.1039/D5SC01063B","","","0.71073","MoKα","","0.1427","0.0894","","","0.1756","0.1954","","","","","","1.046","","","","has coordinates,has disorder","300652","2025-07-06","14:40:19",""
"1574215","9.683","0.0001","23.8429","0.0002","28.0717","0.0004","90","","99.385","0.001","90","","6394.19","0.13","100","0.6","100","0.6","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","","- C112 H112 B4 F16 N20 O8 Pd Pt -","- C100 H80 N16 O4 Pd Pt -","- C200 H160 N32 O8 Pd2 Pt2 -","2","0.5","","Gearing, Hayden B.; Cziferszky, Monika; Söhnel, Tilo; Wright, L. James; Crowley, James D.; Hartinger, Christian G.","Pd(μ-L)4Pt vs. Pd(μ-L)4RuCl2: chlorido ancillary ligands as defining factors in the host–guest interactions of M(μ-L)4M′ heterodimetallic supramolecular architectures","Chemical Science","2025","16","17","7294","7301","10.1039/D5SC00209E","","x-ray","1.54184","CuKα","","0.0616","0.0525","","","0.1293","0.1338","","","","","","1.122","","","","has coordinates,has disorder","300578","2025-07-06","14:06:04",""
"1574216","18.039","0.0003","18.039","0.0003","41.9278","0.0011","90","","90","","90","","13643.5","0.5","100","0.1","100","0.1","","","","","","","","8","P 4/n c c :2","-P 4a 2ac","130","","","","- C118 H134 Cl2 N16 O13 Pd Ru S9 -","- C102 H86 Cl2 N16 O5 Pd Ru S -","- C408 H344 Cl8 N64 O20 Pd4 Ru4 S4 -","4","0.25","","Gearing, Hayden B.; Cziferszky, Monika; Söhnel, Tilo; Wright, L. James; Crowley, James D.; Hartinger, Christian G.","Pd(μ-L)4Pt vs. Pd(μ-L)4RuCl2: chlorido ancillary ligands as defining factors in the host–guest interactions of M(μ-L)4M′ heterodimetallic supramolecular architectures","Chemical Science","2025","16","17","7294","7301","10.1039/D5SC00209E","","","1.54184","CuKα","","0.0903","0.0591","","","0.1804","0.205","","","","","","0.98","","","","has coordinates,has disorder","300578","2025-07-06","14:06:04",""
"1574217","15.47952","0.00019","19.9749","0.0003","21.2142","0.0003","79.4685","0.0011","84.6071","0.001","73.5233","0.0011","6177.96","0.15","119.99","0.13","119.99","0.13","","","","","","","","9","P -1","-P 1","2","","","","- C128 H128 B2 F8 N22 O16 Pd Pt S2 -","- C113 H93 B2 F8 N17 O11 Pd Pt S2 -","- C226 H186 B4 F16 N34 O22 Pd2 Pt2 S4 -","2","1","","Gearing, Hayden B.; Cziferszky, Monika; Söhnel, Tilo; Wright, L. James; Crowley, James D.; Hartinger, Christian G.","Pd(μ-L)4Pt vs. Pd(μ-L)4RuCl2: chlorido ancillary ligands as defining factors in the host–guest interactions of M(μ-L)4M′ heterodimetallic supramolecular architectures","Chemical Science","2025","16","17","7294","7301","10.1039/D5SC00209E","","","1.54184","CuKα","","0.0557","0.0512","","","0.1339","0.1371","","","","","","1.018","","","","has coordinates,has disorder","300578","2025-07-06","14:06:04",""
"1574218","17.9514","0.0009","7.1173","0.0007","18.5132","0.0009","90","","97.763","0.005","90","","2343.7","0.3","170","2","170","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C66 H54 N2 O2 -","- C66 H55 N2 O2 -","- C132 H110 N4 O4 -","2","1","","Chen, Xu-Lang; Yu, Si-Qian; Zheng, Zi-You; Cheng, Zhao-Yi; Chen, An-Na; Liang, Jia-Qi; Sun, Xin; Zheng, Chunyang; Huang, Xiaohuan; Gong, Han-Yuan","Adaptive nitrogen-containing buckybowl: a versatile receptor for curved and planar aromatic molecules","Chemical Science","2025","16","17","7537","7543","10.1039/D5SC00988J","","","1.54184","CuKα","","0.1263","0.0878","","","0.2223","0.2509","","","","","","0.957","","","","has coordinates,has disorder","300584","2025-07-06","14:08:09",""
"1574219","8.4366","0.0002","11.2441","0.0002","22.9481","0.0005","90","","90","","90","","2176.9","0.08","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H30 N2 O4 -","- C24 H30 N2 O4 -","- C96 H120 N8 O16 -","4","1","","Maity, Anirban; Balanna, Kuruva; Daniliuc, Constantin G.; Studer, Armido","Diastereoselective 1,3-nitrooxygenation of bicyclo[1.1.0]butanes","Chemical Science","2025","16","17","7264","7269","10.1039/D4SC08753D","","x-ray","1.54178","CuKα","","0.0315","0.0291","","","0.0685","0.0699","","","","","","1.053","","","","has coordinates,has disorder","300577","2025-07-06","14:05:47",""
"1574220","9.3494","0.0015","11.9607","0.0034","11.0756","0.0031","90","","93.013","0.022","90","","1236.8","0.5","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","As-made PST-21 (134TMP)","zeolite","","- C4 N0.5 O10 Si5 -","- C4 N0.5 O10 Si5 -","- C16 N2 O40 Si20 -","4","1","","Kemp, Kingsley Christian; Altundal, Ömer F.; Jo, Donghui; Huang, Weidong; Wang, Qiang; Deng, Feng; Sastre, German; Hong, Suk Bong","The role of structural defects in the fluoride-mediated synthesis of aluminosilicate zeolites","Chemical Science","2025","16","17","7579","7589","10.1039/D5SC00899A","powder diffraction","x-ray","0.7","synchrotron","","","","","","","","0.06588","","3.6","","","","","","","has coordinates","300591","2025-07-06","14:11:05",""
"1574221","20.8038","0.0006","11.76087","0.00035","10.96997","0.00034","90","","118.744","0.0016","90","","2353.29","0.13","298","","298","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","As-made PST-22 (135TMP)","zeolite","","- C4 N0.5 O10 Si5 -","- C4 N0.5 O10 Si5 -","- C32 N4 O80 Si40 -","8","1","","Kemp, Kingsley Christian; Altundal, Ömer F.; Jo, Donghui; Huang, Weidong; Wang, Qiang; Deng, Feng; Sastre, German; Hong, Suk Bong","The role of structural defects in the fluoride-mediated synthesis of aluminosilicate zeolites","Chemical Science","2025","16","17","7579","7589","10.1039/D5SC00899A","powder diffraction","x-ray","0.692647","synchrotron","","","","","","","","0.11601","","4.52","","","","","","","has coordinates","300591","2025-07-06","14:11:06",""
"1574222","26.4912","0.0017","11.0501","0.0007","22.145","0.0015","90","","90","","90","","6482.5","0.7","123","2","123","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C24 H26 N4 Pt -","- C24 H26 N4 Pt -","- C192 H208 N32 Pt8 -","8","2","","Dang, Vinh Q.; Jiang, Chenggang; Teets, Thomas S.","Enhanced blue phosphorescence in platinum acetylide complexes via a secondary heavy metal and anion-controlled aggregation","Chemical Science","2025","16","17","7302","7310","10.1039/D5SC00172B","","","0.71073","MoKα","","0.0481","0.0325","","","0.0612","0.0656","","","","","","1.025","","","","has coordinates","300576","2025-07-06","14:05:08",""
"1574223","11.611","0.005","13.011","0.006","21.235","0.009","90","","101.158","0.005","90","","3147","2","123","2","123","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C50 H56 Ag2 Cl4 F12 N8 P2 Pt2 -","- C50 H56 Ag2 Cl4 F12 N8 P2 Pt2 -","- C100 H112 Ag4 Cl8 F24 N16 P4 Pt4 -","2","0.5","","Dang, Vinh Q.; Jiang, Chenggang; Teets, Thomas S.","Enhanced blue phosphorescence in platinum acetylide complexes via a secondary heavy metal and anion-controlled aggregation","Chemical Science","2025","16","17","7302","7310","10.1039/D5SC00172B","","","0.71073","MoKα","","0.0625","0.048","","","0.0936","0.0988","","","","","","1.057","","","","has coordinates","300576","2025-07-06","14:05:35",""
"1574224","11.975","0.003","15.698","0.004","19.951","0.005","79.386","0.003","84.09","0.004","71.728","0.003","3496.3","1.5","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H38 N4 Pt -","- C36 H38 N4 Pt -","- C144 H152 N16 Pt4 -","4","2","","Dang, Vinh Q.; Jiang, Chenggang; Teets, Thomas S.","Enhanced blue phosphorescence in platinum acetylide complexes via a secondary heavy metal and anion-controlled aggregation","Chemical Science","2025","16","17","7302","7310","10.1039/D5SC00172B","","","0.71073","MoKα","","0.0621","0.036","","","0.0703","0.0791","","","","","","0.981","","","","has coordinates,has disorder","300576","2025-07-06","14:05:36",""
"1574225","10.1312","0.0018","13.882","0.003","25.808","0.005","89.634","0.002","78.885","0.002","75.512","0.002","3445","1.2","123.22","","123.22","","","","","","","","","9","P -1","-P 1","2","","","","- C53 H64 Cl2 Cu2 F12 N8 O P2 Pt2 -","- C53 H64 Cl2 Cu2 F12 N8 O P2 Pt2 -","- C106 H128 Cl4 Cu4 F24 N16 O2 P4 Pt4 -","2","1","","Dang, Vinh Q.; Jiang, Chenggang; Teets, Thomas S.","Enhanced blue phosphorescence in platinum acetylide complexes via a secondary heavy metal and anion-controlled aggregation","Chemical Science","2025","16","17","7302","7310","10.1039/D5SC00172B","","","0.71073","MoKα","","0.0542","0.0368","","","0.0852","0.0906","","","","","","1.064","","","","has coordinates","300576","2025-07-06","14:05:38",""
"1574226","11.012","0.006","13.113","0.007","14.893","0.008","80.8","0.04","82.41","0.04","67.88","0.03","1960.6","1.9","250","2","250","2","","","","","","","","7","P -1","-P 1","2","","","","- C74 H60 B2 F8 Fe N28 O12 -","- C74 H60 B2 F8 Fe N28 O12 -","- C74 H60 B2 F8 Fe N28 O12 -","1","0.5","","Kaźmierczak, Marcin; Weselski, Marek; Siczek, Miłosz; Wolny, Juliusz A.; Schünemann, Volker; Bronisz, Robert","[2 + 2] Photocyclization converts thermally induced spin crossover effect into “hidden hysteresis” one","Chemical Science","2025","16","18","7884","7893","10.1039/D4SC05587J","","x-ray","0.71073","MoKα","","0.0555","0.0418","","","0.1016","0.1075","","","","","","1.058","","","","has coordinates,has disorder","300647","2025-07-06","14:36:44",""
"1574227","10.747","0.002","13.208","0.003","14.68","0.003","93.24","0.02","99.84","0.02","113.19","0.03","1869.5","0.8","80","2","80","2","","","","","","","","7","P -1","-P 1","2","","","","- C74 H60 B2 F8 Fe N28 O12 -","- C74 H60 B2 F8 Fe N28 O12 -","- C74 H60 B2 F8 Fe N28 O12 -","1","0.5","","Kaźmierczak, Marcin; Weselski, Marek; Siczek, Miłosz; Wolny, Juliusz A.; Schünemann, Volker; Bronisz, Robert","[2 + 2] Photocyclization converts thermally induced spin crossover effect into “hidden hysteresis” one","Chemical Science","2025","16","18","7884","7893","10.1039/D4SC05587J","","x-ray","0.71073","MoKα","","0.0463","0.0371","","","0.0922","0.0964","","","","","","1.036","","","","has coordinates","300647","2025-07-06","14:36:46",""
"1574228","4.283","0.004","9.818","0.008","12.062","0.009","84.15","0.04","81.63","0.04","79.92","0.03","492.5","0.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H8 N4 O2 -","- C11 H8 N4 O2 -","- C22 H16 N8 O4 -","2","1","","Kaźmierczak, Marcin; Weselski, Marek; Siczek, Miłosz; Wolny, Juliusz A.; Schünemann, Volker; Bronisz, Robert","[2 + 2] Photocyclization converts thermally induced spin crossover effect into “hidden hysteresis” one","Chemical Science","2025","16","18","7884","7893","10.1039/D4SC05587J","","x-ray","0.71073","MoKα","","0.093","0.0514","","","0.0931","0.1083","","","","","","1.037","","","","has coordinates","300647","2025-07-06","14:36:54",""
"1574229","10.755","0.002","13.221","0.003","14.686","0.003","93.25","0.02","99.83","0.02","113.15","0.03","1874.1","0.8","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C74 H60 B2 F8 Fe N28 O12 -","- C74 H60 B2 F8 Fe N28 O12 -","- C74 H60 B2 F8 Fe N28 O12 -","1","0.5","","Kaźmierczak, Marcin; Weselski, Marek; Siczek, Miłosz; Wolny, Juliusz A.; Schünemann, Volker; Bronisz, Robert","[2 + 2] Photocyclization converts thermally induced spin crossover effect into “hidden hysteresis” one","Chemical Science","2025","16","18","7884","7893","10.1039/D4SC05587J","","x-ray","0.71073","MoKα","","0.0488","0.0386","","","0.0936","0.0977","","","","","","1.058","","","","has coordinates","300647","2025-07-06","14:36:54",""
"1574230","10.816","0.003","13.308","0.004","14.753","0.004","93.25","0.02","99.7","0.02","112.47","0.03","1917.1","1.1","250","2","250","2","","","","","","","","7","P -1","-P 1","2","","","","- C74 H60 B2 F8 Fe N28 O12 -","- C74 H60 B2 F8 Fe N28 O12 -","- C74 H60 B2 F8 Fe N28 O12 -","1","0.5","","Kaźmierczak, Marcin; Weselski, Marek; Siczek, Miłosz; Wolny, Juliusz A.; Schünemann, Volker; Bronisz, Robert","[2 + 2] Photocyclization converts thermally induced spin crossover effect into “hidden hysteresis” one","Chemical Science","2025","16","18","7884","7893","10.1039/D4SC05587J","","x-ray","0.71073","MoKα","","0.0571","0.041","","","0.0989","0.1053","","","","","","1.041","","","","has coordinates,has disorder","300647","2025-07-06","14:36:54",""
"1574231","10.71","0.002","12.918","0.003","14.735","0.004","81.53","0.03","82.54","0.03","68.41","0.02","1868.6","0.8","80","2","80","2","","","","","","","","7","P -1","-P 1","2","","","","- C74 H60 B2 F8 Fe N28 O12 -","- C74 H60 B2 F8 Fe N28 O12 -","- C74 H60 B2 F8 Fe N28 O12 -","1","0.5","","Kaźmierczak, Marcin; Weselski, Marek; Siczek, Miłosz; Wolny, Juliusz A.; Schünemann, Volker; Bronisz, Robert","[2 + 2] Photocyclization converts thermally induced spin crossover effect into “hidden hysteresis” one","Chemical Science","2025","16","18","7884","7893","10.1039/D4SC05587J","","x-ray","0.71073","MoKα","","0.045","0.0367","","","0.0885","0.0918","","","","","","1.06","","","","has coordinates,has disorder","300647","2025-07-06","14:36:54",""
"1574232","6.597","0.002","12.473","0.004","12.691","0.004","101.07","0.03","99.32","0.03","97.21","0.02","998","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H16 N8 O4 -","- C22 H16 N8 O4 -","- C44 H32 N16 O8 -","2","1","","Kaźmierczak, Marcin; Weselski, Marek; Siczek, Miłosz; Wolny, Juliusz A.; Schünemann, Volker; Bronisz, Robert","[2 + 2] Photocyclization converts thermally induced spin crossover effect into “hidden hysteresis” one","Chemical Science","2025","16","18","7884","7893","10.1039/D4SC05587J","","x-ray","1.54184","CuKα","","0.0555","0.0514","","","0.1452","0.1497","","","","","","1.077","","","","has coordinates","300647","2025-07-06","14:36:54",""
"1574239","23.4527","0.0004","23.4527","0.0004","12.5316","0.0004","90","","90","","90","","6892.7","0.3","120.1","0.4","120.1","0.4","","","","","","","","5","I 41 c d","I 4bw -2c","110","","","","- C12 H12 Fe0.67 N8 Zn1.33 -","- C12 H12 Fe0.6666 N8 Zn1.3334 -","- C192 H192 Fe10.6656 N128 Zn21.3344 -","16","1","","León-Alcaide, Luis; Castillo-Blas, Celia; Martin-Diaconescu, Vlad; da Silva, Ivan; Keen, David A.; Bennett, Thomas D.; Mínguez Espallargas, Guillermo","Solvent-free approach for the synthesis of heterometallic Fe–Zn-ZIF glass via a melt-quenched process","Chemical Science","2025","16","18","7946","7955","10.1039/D5SC00767D","","x-ray","1.54184","CuKα","","0.0544","0.0417","","","0.1098","0.1199","","","","","","0.986","","","","has coordinates","300650","2025-07-06","14:39:11",""
"1574240","10.3884","0.0001","13.2702","0.0002","10.4428","0.0001","90","","92.554","0.001","90","","1438.17","0.03","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H26 Fe N16 Zn2 -","- C24 H26 Fe N16 Zn2 -","- C48 H52 Fe2 N32 Zn4 -","2","0.5","","León-Alcaide, Luis; Castillo-Blas, Celia; Martin-Diaconescu, Vlad; da Silva, Ivan; Keen, David A.; Bennett, Thomas D.; Mínguez Espallargas, Guillermo","Solvent-free approach for the synthesis of heterometallic Fe–Zn-ZIF glass via a melt-quenched process","Chemical Science","2025","16","18","7946","7955","10.1039/D5SC00767D","","x-ray","1.54184","CuKα","","0.0288","0.0265","","","0.0704","0.076","","","","","","1.108","","","","has coordinates","300650","2025-07-06","14:39:13",""
"1574241","17.517","0.0013","14.5182","0.0009","9.5517","0.0007","90","","90","","90","","2429.1","0.3","297","2","297","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C28 H29 N3 O3 -","- C28 H29 N3 O3 -","- C112 H116 N12 O12 -","4","1","","Patra, Koushik; Deb, Samiran; Kumar Choutipalli, Venkata Surya; Mulani, Sana; Mallik, Sumitava; Subramanian, Venkatesan; Baidya, Mahiuddin","Transforming 2D azolium salts to 3D caged tertiary amines via stereoselective dearomative cascade annulation","Chemical Science","2025","16","17","7551","7559","10.1039/D5SC01527H","","","0.71073","MoKα","","0.0898","0.0743","","","0.1548","0.1627","","","","","","1.135","","","","has coordinates,has disorder","300585","2025-07-06","14:08:21",""
"1574244","24.4631","0.0001","9.3458","0.0001","15.1792","0.0001","90","","106.165","0.001","90","","3333.17","0.05","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 B F3 N2 -","- C20 H14 B F3 N2 -","- C160 H112 B8 F24 N16 -","8","2","","Wüst, Leonie; Chorbacher, Johannes; Wellnitz, Tim; Nees, Samuel; Helten, Holger; Braunschweig, Holger","Synthetic access to organyl-substituted 1,2,3-benzodiazaborines with turn-on fluorescence activity","Chemical Science","2025","16","17","7284","7293","10.1039/D5SC01500F","","x-ray","1.54184","CuKα","K-L~2,3~","0.0356","0.0335","","","0.0875","0.0892","","","","","","1.026","","","","has coordinates,has disorder","300580","2025-07-06","14:06:50",""
"1574245","11.2851","0.0002","15.51","0.0002","17.2399","0.0002","90","","90","","90","","3017.53","0.07","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C33 H40 B Li N2 O2 -","- C33 H40 B Li N2 O2 -","- C132 H160 B4 Li4 N8 O8 -","4","1","","Wüst, Leonie; Chorbacher, Johannes; Wellnitz, Tim; Nees, Samuel; Helten, Holger; Braunschweig, Holger","Synthetic access to organyl-substituted 1,2,3-benzodiazaborines with turn-on fluorescence activity","Chemical Science","2025","16","17","7284","7293","10.1039/D5SC01500F","","x-ray","1.54184","CuKα","K-L~2,3~","0.0673","0.0615","","","0.1653","0.1703","","","","","","1.06","","","","has coordinates,has disorder","300580","2025-07-06","14:06:51",""
"1574246","10.5979","0.0001","15.3284","0.0002","11.9288","0.0001","90","","104.056","0.001","90","","1879.8","0.04","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H23 B N2 -","- C23 H23 B N2 -","- C92 H92 B4 N8 -","4","1","","Wüst, Leonie; Chorbacher, Johannes; Wellnitz, Tim; Nees, Samuel; Helten, Holger; Braunschweig, Holger","Synthetic access to organyl-substituted 1,2,3-benzodiazaborines with turn-on fluorescence activity","Chemical Science","2025","16","17","7284","7293","10.1039/D5SC01500F","","x-ray","1.54184","CuKα","K-L~2,3~","0.0418","0.0398","","","0.1032","0.1047","","","","","","1.016","","","","has coordinates","300580","2025-07-06","14:06:51",""
"1574247","11.2275","0.0002","9.6336","0.0002","13.9575","0.0003","90","","101.194","0.002","90","","1480.94","0.05","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H15 B N2 -","- C19 H15 B N2 -","- C76 H60 B4 N8 -","4","1","","Wüst, Leonie; Chorbacher, Johannes; Wellnitz, Tim; Nees, Samuel; Helten, Holger; Braunschweig, Holger","Synthetic access to organyl-substituted 1,2,3-benzodiazaborines with turn-on fluorescence activity","Chemical Science","2025","16","17","7284","7293","10.1039/D5SC01500F","","x-ray","1.54184","CuKα","K-L~2,3~","0.0518","0.0434","","","0.1002","0.1045","","","","","","1.043","","","","has coordinates","300580","2025-07-06","14:06:51",""
"1574248","9.8105","0.0001","16.1727","0.0002","20.3437","0.0003","90","","97.146","0.001","90","","3202.71","0.07","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H51 B F N3 -","- C35 H51 B F N3 -","- C140 H204 B4 F4 N12 -","4","1","","Wüst, Leonie; Chorbacher, Johannes; Wellnitz, Tim; Nees, Samuel; Helten, Holger; Braunschweig, Holger","Synthetic access to organyl-substituted 1,2,3-benzodiazaborines with turn-on fluorescence activity","Chemical Science","2025","16","17","7284","7293","10.1039/D5SC01500F","","x-ray","1.54184","CuKα","K-L~2,3~","0.0592","0.0481","","","0.115","0.1205","","","","","","1.092","","","","has coordinates,has disorder","300580","2025-07-06","14:06:51",""
"1574249","13.3766","0.0001","12.6462","0.0001","11.1821","0.0001","90","","110.669","0.001","90","","1769.85","0.03","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H21 B N2 -","- C22 H21 B N2 -","- C88 H84 B4 N8 -","4","1","","Wüst, Leonie; Chorbacher, Johannes; Wellnitz, Tim; Nees, Samuel; Helten, Holger; Braunschweig, Holger","Synthetic access to organyl-substituted 1,2,3-benzodiazaborines with turn-on fluorescence activity","Chemical Science","2025","16","17","7284","7293","10.1039/D5SC01500F","","x-ray","1.54184","CuKα","K-L~2,3~","0.0413","0.0388","","","0.0986","0.1005","","","","","","1.037","","","","has coordinates","300580","2025-07-06","14:06:51",""
"1574250","6.5265","0.0001","9.4226","0.0002","14.2267","0.0002","106.057","0.001","93.734","0.001","100.512","0.002","820.44","0.03","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H17 B N2 O -","- C20 H17 B N2 O -","- C40 H34 B2 N4 O2 -","2","1","","Wüst, Leonie; Chorbacher, Johannes; Wellnitz, Tim; Nees, Samuel; Helten, Holger; Braunschweig, Holger","Synthetic access to organyl-substituted 1,2,3-benzodiazaborines with turn-on fluorescence activity","Chemical Science","2025","16","17","7284","7293","10.1039/D5SC01500F","","x-ray","1.54184","CuKα","K-L~2,3~","0.048","0.0438","","","0.1194","0.1247","","","","","","1.085","","","","has coordinates","300580","2025-07-06","14:06:51",""
"1574251","8.8219","0.0002","9.3512","0.0002","10.407","0.0002","84.139","0.002","68.542","0.002","74.66","0.002","770.54","0.03","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H19 B N2 O Si -","- C16 H19 B N2 O Si -","- C32 H38 B2 N4 O2 Si2 -","2","1","","Wüst, Leonie; Chorbacher, Johannes; Wellnitz, Tim; Nees, Samuel; Helten, Holger; Braunschweig, Holger","Synthetic access to organyl-substituted 1,2,3-benzodiazaborines with turn-on fluorescence activity","Chemical Science","2025","16","17","7284","7293","10.1039/D5SC01500F","","x-ray","1.54184","CuKα","K-L~2,3~","0.0288","0.0285","","","0.0783","0.0786","","","","","","1.082","","","","has coordinates","300580","2025-07-06","14:06:51",""
"1574252","23.6005","0.0002","6.8997","0.0001","14.1673","0.0001","90","","90","","90","","2306.95","0.04","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C14 H13 B N2 -","- C14 H13 B N2 -","- C112 H104 B8 N16 -","8","2","","Wüst, Leonie; Chorbacher, Johannes; Wellnitz, Tim; Nees, Samuel; Helten, Holger; Braunschweig, Holger","Synthetic access to organyl-substituted 1,2,3-benzodiazaborines with turn-on fluorescence activity","Chemical Science","2025","16","17","7284","7293","10.1039/D5SC01500F","","x-ray","1.54184","CuKα","K-L~2,3~","0.0349","0.0336","","","0.0899","0.0908","","","","","","1.052","","","","has coordinates","300580","2025-07-06","14:06:51",""
"1574253","12.4734","0.0001","10.9242","0.0001","15.9763","0.0001","90","","90.072","0.001","90","","2176.96","0.03","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 B N2 O -","- C13 H11 B N2 O -","- C104 H88 B8 N16 O8 -","8","2","","Wüst, Leonie; Chorbacher, Johannes; Wellnitz, Tim; Nees, Samuel; Helten, Holger; Braunschweig, Holger","Synthetic access to organyl-substituted 1,2,3-benzodiazaborines with turn-on fluorescence activity","Chemical Science","2025","16","17","7284","7293","10.1039/D5SC01500F","","x-ray","1.54184","CuKα","K-L~2,3~","0.0408","0.0382","","","0.1071","0.1092","","","","","","1.053","","","","has coordinates","300580","2025-07-06","14:06:51",""
"1574254","12.2633","0.0001","17.3966","0.0001","16.986","0.0002","90","","105.539","0.001","90","","3491.33","0.06","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C41 H56 B N3 -","- C41 H56 B N3 -","- C164 H224 B4 N12 -","4","0.5","","Wüst, Leonie; Chorbacher, Johannes; Wellnitz, Tim; Nees, Samuel; Helten, Holger; Braunschweig, Holger","Synthetic access to organyl-substituted 1,2,3-benzodiazaborines with turn-on fluorescence activity","Chemical Science","2025","16","17","7284","7293","10.1039/D5SC01500F","","x-ray","1.54184","CuKα","K-L~2,3~","0.0431","0.0414","","","0.1029","0.1046","","","","","","1.081","","","","has coordinates,has disorder","300580","2025-07-06","14:06:51",""
"1574255","17.0832","0.0002","10.345","0.0001","18.6658","0.0003","90","","91.804","0.001","90","","3297.09","0.07","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C36 H50 B N4 O -","- C36 H50 B N4 O -","- C144 H200 B4 N16 O4 -","4","2","","Wüst, Leonie; Chorbacher, Johannes; Wellnitz, Tim; Nees, Samuel; Helten, Holger; Braunschweig, Holger","Synthetic access to organyl-substituted 1,2,3-benzodiazaborines with turn-on fluorescence activity","Chemical Science","2025","16","17","7284","7293","10.1039/D5SC01500F","","x-ray","1.54184","CuKα","K-L~2,3~","0.0456","0.0433","","","0.1157","0.1182","","","","","","1.028","","","","has coordinates,has disorder","300580","2025-07-06","14:06:51",""
"1574256","9.5035","0.0002","18.6014","0.0004","19.0874","0.0002","87.741","0.001","87.477","0.001","78.256","0.002","3298.8","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H51 B N4 -","- C35.998 H50.9955 B N4 -","- C143.992 H203.982 B4 N16 -","4","2","","Wüst, Leonie; Chorbacher, Johannes; Wellnitz, Tim; Nees, Samuel; Helten, Holger; Braunschweig, Holger","Synthetic access to organyl-substituted 1,2,3-benzodiazaborines with turn-on fluorescence activity","Chemical Science","2025","16","17","7284","7293","10.1039/D5SC01500F","","x-ray","1.54184","CuKα","K-L~2,3~","0.091","0.0715","","","0.2027","0.2161","","","","","","1.049","","","","has coordinates,has disorder","300580","2025-07-06","14:06:51",""
"1574257","13.4921","0.0004","17.9826","0.0006","5.1708","0.0001","90","","90","","90","","1254.56","0.06","298","","298","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C12 H10 F3 N3 O2 -","- C12 H10 F3 N3 O2 -","- C48 H40 F12 N12 O8 -","4","1","","Ji, Tingting; Yang, Xuesong; Chen, Quanliang; Zhang, Hongyu","Decimeter-length elastic organic crystals capable of mechanical post-processing and optical waveguide modulation at 77 K","Chemical Science","2025","16","18","8099","8107","10.1039/D4SC07313D","","","0.71073","MoKα","","0.0733","0.0455","","","0.0882","0.1","","","","","","1.06","","","","has coordinates,has disorder","300645","2025-07-06","14:36:04",""
"1574258","9.6318","0.0004","6.3855","0.0002","17.9069","0.0007","90","","93.53","0.002","90","","1099.25","0.07","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H8 F3 N3 O -","- C11 H8 F3 N3 O -","- C44 H32 F12 N12 O4 -","4","1","","Ji, Tingting; Yang, Xuesong; Chen, Quanliang; Zhang, Hongyu","Decimeter-length elastic organic crystals capable of mechanical post-processing and optical waveguide modulation at 77 K","Chemical Science","2025","16","18","8099","8107","10.1039/D4SC07313D","","","0.71073","MoKα","","0.0366","0.0311","","","0.0788","0.0829","","","","","","1.033","","","","has coordinates","300645","2025-07-06","14:36:04",""
"1574259","13.3841","0.0008","17.8129","0.001","5.0896","0.0002","90","","90","","90","","1213.41","0.11","100","","100","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C12 H10 F3 N3 O2 -","- C12 H10 F3 N3 O2 -","- C48 H40 F12 N12 O8 -","4","1","","Ji, Tingting; Yang, Xuesong; Chen, Quanliang; Zhang, Hongyu","Decimeter-length elastic organic crystals capable of mechanical post-processing and optical waveguide modulation at 77 K","Chemical Science","2025","16","18","8099","8107","10.1039/D4SC07313D","","","0.71073","MoKα","","0.0349","0.031","","","0.079","0.0823","","","","","","1.049","","","","has coordinates,has disorder","300645","2025-07-06","14:36:04",""
"1574260","9.7492","0.0008","6.1659","0.0005","18.7972","0.0016","90","","91.957","0.003","90","","1129.29","0.16","298","","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H8 F3 N3 O -","- C11 H8 F3 N3 O -","- C44 H32 F12 N12 O4 -","4","1","","Ji, Tingting; Yang, Xuesong; Chen, Quanliang; Zhang, Hongyu","Decimeter-length elastic organic crystals capable of mechanical post-processing and optical waveguide modulation at 77 K","Chemical Science","2025","16","18","8099","8107","10.1039/D4SC07313D","","","0.71073","MoKα","","0.0828","0.0534","","","0.1292","0.1598","","","","","","1.06","","","","has coordinates","300645","2025-07-06","14:36:04",""
"1574261","13.3309","0.0004","17.1204","0.0005","20.0227","0.0006","78.851","0.002","72.034","0.002","84.771","0.002","4262.5","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C97 H132 B Cl Ge2 O2 -","- C97 H132 B Cl Ge2 O2 -","- C194 H264 B2 Cl2 Ge4 O4 -","2","1","","Kern, Ralf H.; Hiller, Noemi; Eichele, Klaus; Schubert, Hartmut; Tönshoff, Christina; Bettinger, Holger F.; Wesemann, Lars","Boradigermaallyl: inhibition of CH bond activation by borane CO adduct formation followed by CO insertion","Chemical Science","2025","16","18","7759","7765","10.1039/D5SC00881F","","","0.71073","MoKα","","0.0637","0.0412","","","0.0957","0.1049","","","","","","1.019","","","","has coordinates","300653","2025-07-06","14:40:56",""
"1574262","14.1976","0.0003","14.5282","0.0003","22.8599","0.0004","87.845","0.001","74.458","0.001","75.249","0.001","4390.7","0.15","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C100 H127 B Cl Ge2 O3 -","- C100 H126 B Cl Ge2 O3 -","- C200 H252 B2 Cl2 Ge4 O6 -","2","1","","Kern, Ralf H.; Hiller, Noemi; Eichele, Klaus; Schubert, Hartmut; Tönshoff, Christina; Bettinger, Holger F.; Wesemann, Lars","Boradigermaallyl: inhibition of CH bond activation by borane CO adduct formation followed by CO insertion","Chemical Science","2025","16","18","7759","7765","10.1039/D5SC00881F","","","0.71073","MoKα","","0.0895","0.0555","","","0.1163","0.1299","","","","","","1.015","","","","has coordinates","300653","2025-07-06","14:40:57",""
"1574263","19.5707","0.0006","18.9384","0.0006","26.3009","0.0008","90","","107.021","0.002","90","","9321.1","0.5","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C106 H140 B Cl Ge2 O2 -","- C106 H140 B Cl Ge2 O2 -","- C424 H560 B4 Cl4 Ge8 O8 -","4","1","","Kern, Ralf H.; Hiller, Noemi; Eichele, Klaus; Schubert, Hartmut; Tönshoff, Christina; Bettinger, Holger F.; Wesemann, Lars","Boradigermaallyl: inhibition of CH bond activation by borane CO adduct formation followed by CO insertion","Chemical Science","2025","16","18","7759","7765","10.1039/D5SC00881F","","","0.71073","MoKα","","0.0544","0.0351","","","0.0875","0.0992","","","","","","1.027","","","","has coordinates","300653","2025-07-06","14:41:05",""
"1574264","13.5962","0.0004","16.671","0.0005","20.1773","0.0006","81.8234","0.0016","87.251","0.0015","84.0915","0.0014","4500.3","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C95 H116 B Cl Ge2 O -","- C95 H116 B Cl Ge2 O -","- C190 H232 B2 Cl2 Ge4 O2 -","2","1","","Kern, Ralf H.; Hiller, Noemi; Eichele, Klaus; Schubert, Hartmut; Tönshoff, Christina; Bettinger, Holger F.; Wesemann, Lars","Boradigermaallyl: inhibition of CH bond activation by borane CO adduct formation followed by CO insertion","Chemical Science","2025","16","18","7759","7765","10.1039/D5SC00881F","","","0.71073","MoKα","","0.0536","0.0377","","","0.1042","0.1114","","","","","","1.038","","","","has coordinates","300653","2025-07-06","14:41:06",""
"1574265","13.7734","0.0004","16.6004","0.0005","20.096","0.0007","83.116","0.002","85.997","0.002","84.814","0.002","4534.9","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C95 H118 B Cl Ge2 O -","- C95 H118 B Cl Ge2 O -","- C190 H236 B2 Cl2 Ge4 O2 -","2","1","","Kern, Ralf H.; Hiller, Noemi; Eichele, Klaus; Schubert, Hartmut; Tönshoff, Christina; Bettinger, Holger F.; Wesemann, Lars","Boradigermaallyl: inhibition of CH bond activation by borane CO adduct formation followed by CO insertion","Chemical Science","2025","16","18","7759","7765","10.1039/D5SC00881F","","","0.71073","MoKα","","0.1038","0.0638","","","0.1498","0.1678","","","","","","1.04","","","","has coordinates,has disorder","300653","2025-07-06","14:41:15",""
"1574266","25.9105","0.0014","14.4062","0.0008","28.4018","0.0016","90","","109.755","0.003","90","","9977.7","1","120","2","120","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C114.5 H150 B Cl Ge2 O2 -","- C114.5 H150 B Cl Ge2 O2 -","- C458 H600 B4 Cl4 Ge8 O8 -","4","1","","Kern, Ralf H.; Hiller, Noemi; Eichele, Klaus; Schubert, Hartmut; Tönshoff, Christina; Bettinger, Holger F.; Wesemann, Lars","Boradigermaallyl: inhibition of CH bond activation by borane CO adduct formation followed by CO insertion","Chemical Science","2025","16","18","7759","7765","10.1039/D5SC00881F","","","0.71073","MoKα","","0.0738","0.0578","","","0.1256","0.1315","","","","","","1.151","","","","has coordinates,has disorder","300653","2025-07-06","14:41:17",""
"1574267","14.4877","0.0004","18.0318","0.0004","18.9385","0.0005","77.231","0.001","89.503","0.001","73.895","0.001","4628.4","0.2","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C103 H136 B Cl Ge2 O3 -","- C103 H136 B Cl Ge2 O3 -","- C206 H272 B2 Cl2 Ge4 O6 -","2","1","","Kern, Ralf H.; Hiller, Noemi; Eichele, Klaus; Schubert, Hartmut; Tönshoff, Christina; Bettinger, Holger F.; Wesemann, Lars","Boradigermaallyl: inhibition of CH bond activation by borane CO adduct formation followed by CO insertion","Chemical Science","2025","16","18","7759","7765","10.1039/D5SC00881F","","","0.71073","MoKα","","0.0463","0.0378","","","0.0977","0.1041","","","","","","1.032","","","","has coordinates,has disorder","300653","2025-07-06","14:41:25",""
"1574268","15.9892","0.0003","19.2578","0.0003","20.5718","0.0004","102.631","0.001","112.298","0.001","106.577","0.001","5221.48","0.18","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C99 H118 B Cl Ge2 O -","- C99 H118 B Cl Ge2 O -","- C198 H236 B2 Cl2 Ge4 O2 -","2","1","","Kern, Ralf H.; Hiller, Noemi; Eichele, Klaus; Schubert, Hartmut; Tönshoff, Christina; Bettinger, Holger F.; Wesemann, Lars","Boradigermaallyl: inhibition of CH bond activation by borane CO adduct formation followed by CO insertion","Chemical Science","2025","16","18","7759","7765","10.1039/D5SC00881F","","","0.71073","MoKα","","0.0632","0.0487","","","0.129","0.1407","","","","","","1.047","","","","has coordinates,has disorder","300653","2025-07-06","14:41:34",""
"1574269","6.56","0.0011","14.795","0.003","17.736","0.003","100.253","0.006","98.746","0.006","100.247","0.006","1636.6","0.5","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H15 F O2 -","- C11 H15 F O2 -","- C66 H90 F6 O12 -","6","3","","Trevisan, Lucia; Bond, Andrew D.; Hunter, Christopher A.","Relationship between interaction geometry and cooperativity measured in H-bonded networks of hydroxyl groups","Chemical Science","2025","16","17","7418","7423","10.1039/D5SC00784D","","","1.54178","CuKα","","0.2263","0.0986","","","0.1705","0.2314","","","","","","0.959","","","","has coordinates","300590","2025-07-06","14:10:54",""
"1574270","13.7547","0.0006","19.2286","0.0009","8.4326","0.0004","90","","90","","90","","2230.28","0.18","180","2","180","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C11 H15 N O4 -","- C11 H15 N O4 -","- C88 H120 N8 O32 -","8","1","","Trevisan, Lucia; Bond, Andrew D.; Hunter, Christopher A.","Relationship between interaction geometry and cooperativity measured in H-bonded networks of hydroxyl groups","Chemical Science","2025","16","17","7418","7423","10.1039/D5SC00784D","","","1.54178","CuKα","","0.056","0.0421","","","0.0999","0.1087","","","","","","1.052","","","","has coordinates","300590","2025-07-06","14:10:54",""
"1574271","9.582","0.0005","43.689","0.002","15.6237","0.0008","90","","90.164","0.003","90","","6540.5","0.6","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H31 B2 N3 O2 -","- C34 H31 B2 N3 O2 -","- C272 H248 B16 N24 O16 -","8","4","","Yu, Changjiang; Cheng, Chao; Liu, Zhangzhan; Ni, Zhigang; Zhao, Zujin; Lu, Hua; Hao, Erhong; Jiao, Lijuan","A novel boron-stereogenic fluorophore with dual-state circular polarization luminescence via a self-dispersing strategy","Chemical Science","2025","16","18","7971","7980","10.1039/D5SC01025J","","","1.54178","CuKα","","0.0817","0.0743","","","0.2013","0.2108","","","","","","1.024","","","","has coordinates,has disorder","300651","2025-07-06","14:39:32",""
"1574272","15.472","0.002","16.178","0.002","15.892","0.002","90","","109.432","0.007","90","","3751.3","0.8","298","","298","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H17 B2 F18 N3 O2 -","- C36 H17 B2 F18 N3 O2 -","- C144 H68 B8 F72 N12 O8 -","4","1","","Yu, Changjiang; Cheng, Chao; Liu, Zhangzhan; Ni, Zhigang; Zhao, Zujin; Lu, Hua; Hao, Erhong; Jiao, Lijuan","A novel boron-stereogenic fluorophore with dual-state circular polarization luminescence via a self-dispersing strategy","Chemical Science","2025","16","18","7971","7980","10.1039/D5SC01025J","","","1.54178","CuKα","","0.1306","0.0736","","","0.2036","0.2288","","","","","","1.019","","","","has coordinates,has disorder","300651","2025-07-06","14:39:33",""
"1574273","10.3708","0.0006","11.0431","0.0006","11.9274","0.0006","86.785","0.004","74.699","0.004","74.116","0.004","1267.07","0.12","298","","298","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H22 B2 Cl N3 O2 -","- C30 H22 B2 Cl N3 O2 -","- C60 H44 B4 Cl2 N6 O4 -","2","1","","Yu, Changjiang; Cheng, Chao; Liu, Zhangzhan; Ni, Zhigang; Zhao, Zujin; Lu, Hua; Hao, Erhong; Jiao, Lijuan","A novel boron-stereogenic fluorophore with dual-state circular polarization luminescence via a self-dispersing strategy","Chemical Science","2025","16","18","7971","7980","10.1039/D5SC01025J","","x-ray","1.54178","CuKα","","0.0727","0.0493","","","0.1398","0.153","","","","","","0.935","","","","has coordinates","300651","2025-07-06","14:39:33",""
"1574274","9.6663","0.0007","10.0753","0.0008","14.4164","0.0013","92.413","0.003","101.539","0.003","93.307","0.003","1371.29","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H27 B2 N3 O2 -","- C32 H27 B2 N3 O2 -","- C64 H54 B4 N6 O4 -","2","1","","Yu, Changjiang; Cheng, Chao; Liu, Zhangzhan; Ni, Zhigang; Zhao, Zujin; Lu, Hua; Hao, Erhong; Jiao, Lijuan","A novel boron-stereogenic fluorophore with dual-state circular polarization luminescence via a self-dispersing strategy","Chemical Science","2025","16","18","7971","7980","10.1039/D5SC01025J","","","0.71073","MoKα","","0.1097","0.0839","","","0.1838","0.1961","","","","","","1.128","","","","has coordinates","300651","2025-07-06","14:39:33",""
"1574275","15.483","0.005","16.607","0.005","18.455","0.005","63.503","0.019","76.5","0.02","65.205","0.019","3849","2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H40 B4 N6 O4 -","- C54 H40 B4 N6 O4 -","- C162 H120 B12 N18 O12 -","3","1.5","","Yu, Changjiang; Cheng, Chao; Liu, Zhangzhan; Ni, Zhigang; Zhao, Zujin; Lu, Hua; Hao, Erhong; Jiao, Lijuan","A novel boron-stereogenic fluorophore with dual-state circular polarization luminescence via a self-dispersing strategy","Chemical Science","2025","16","18","7971","7980","10.1039/D5SC01025J","","x-ray","1.54178","CuKα","","0.1831","0.083","","","0.2454","0.3057","","","","","","0.966","","","","has coordinates,has disorder","300651","2025-07-06","14:39:33",""
"1574276","9.9773","0.0004","10.9806","0.0005","13.4862","0.0005","74.857","0.002","79.474","0.002","63.421","0.002","1271.77","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H23 B2 N3 O2 -","- C30 H23 B2 N3 O2 -","- C60 H46 B4 N6 O4 -","2","1","","Yu, Changjiang; Cheng, Chao; Liu, Zhangzhan; Ni, Zhigang; Zhao, Zujin; Lu, Hua; Hao, Erhong; Jiao, Lijuan","A novel boron-stereogenic fluorophore with dual-state circular polarization luminescence via a self-dispersing strategy","Chemical Science","2025","16","18","7971","7980","10.1039/D5SC01025J","","x-ray","0.71073","MoKα","","0.0673","0.0518","","","0.1232","0.1338","","","","","","1.093","","","","has coordinates","300651","2025-07-06","14:39:33",""
"1574277","29.2198","0.0009","9.7169","0.0003","23.8263","0.0007","90","","104.397","0.003","90","","6552.5","0.4","300","","300","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H27 B2 N3 O2 S -","- C38 H27 B2 N3 O2 S1.002 -","- C304 H216 B16 N24 O16 S8.016 -","8","1","","Yu, Changjiang; Cheng, Chao; Liu, Zhangzhan; Ni, Zhigang; Zhao, Zujin; Lu, Hua; Hao, Erhong; Jiao, Lijuan","A novel boron-stereogenic fluorophore with dual-state circular polarization luminescence via a self-dispersing strategy","Chemical Science","2025","16","18","7971","7980","10.1039/D5SC01025J","","x-ray","1.54178","CuKα","","0.0523","0.0419","","","0.1182","0.1257","","","","","","1.046","","","","has coordinates,has disorder","300651","2025-07-06","14:39:33",""
"1574280","16.666","0.003","21.729","0.004","34.167","0.007","90","","90","","90","","12373","4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C97 H86 Cl2 N38 O46 -","- C97 H86 Cl2 N38 O46 -","- C388 H344 Cl8 N152 O184 -","4","1","","Liu, Jia; Han, Xiujie; Wen, Xin; Yu, Hao; Li, Bao; Wang, Ming; Liu, Minghua; Wu, Guanglu","Chiral ring-in-ring complexes with torsion-induced circularly polarized luminescence","Chemical Science","2025","16","18","7858","7863","10.1039/D5SC00624D","","","0.71073","MoKα","","0.0859","0.082","","","0.2512","0.2593","","","","","","1.13","","","","has coordinates,has disorder","300644","2025-07-06","14:35:40",""
"1574281","18.8392","0.0003","18.8392","0.0003","46.1573","0.0013","90","","90","","120","","14187.2","0.5","100","0.5","100","0.5","","","","","","","","7","R -3 :H","-R 3","148","[IrAu12(bbpe)6](PF6)3 DCM-MeOH/Ether Octahedron","","","- C168 H144 Au12 Cl24 F12 Ir P14 -","- C168 H144 Au12 Cl24 F12 Ir P14 -","- C504 H432 Au36 Cl72 F36 Ir3 P42 -","3","0.166667","","Mutoh, Katsuya; Yahagi, Teppei; Takano, Shinjiro; Kawakita, Sonomi; Iwasa, Takeshi; Taketsugu, Tetsuya; Tsukuda, Tatsuya; Nakashima, Takuya","A nearly perfect icosahedral Ir@Au12 superatom with superior photoluminescence obtained by ligand engineering","Chemical Science","2025","16","19","8240","8246","10.1039/D5SC00561B","","x-ray","0.71073","MoKα","","0.0387","0.0355","","","0.1024","0.1047","","","","","","1.116","","","","has coordinates,has disorder","300600","2025-07-06","14:14:13",""
"1574282","18.3688","0.0007","10.6562","0.0007","21.9752","0.0008","90","","90","","90","","4301.5","0.4","297","","297","","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C12 H8 Fe I2 O5 Pb3 -","- C12 H8 Fe I2 O5 Pb3 -","- C96 H64 Fe8 I16 O40 Pb24 -","8","0.5","","Yin, Jinlin; He, Yani; Sun, Chen; Jiang, Yilin; Fei, Honghan","Coordination-driven assembly of a ferrocene-functionalized lead iodide framework with enhanced stability and charge transfer for photocatalytic CO2-to-CH3OH conversion","Chemical Science","2025","16","19","8327","8337","10.1039/D4SC08216H","","","0.71073","MoKα","","0.1418","0.1395","","","0.3051","0.3058","","","","","","1.116","","","","has coordinates,has disorder","300596","2025-07-06","14:12:55",""
"1574283","7.1097","0.0002","31.4596","0.001","14.5274","0.0004","90","","97.891","0.001","90","","3218.55","0.16","143","2","143","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C70 H68 Br2 N6 O4 Si2 -","- C70 H68 Br2 N6 O4 Si2 -","- C140 H136 Br4 N12 O8 Si4 -","2","1","","Cao, Qiuhui; Yang, Yuntian; Mei, Yiwen; Ji, Minghui; Wang, Fei; Feng, Xiaoming; Cao, Weidi","Catalytic asymmetric construction of 1,5-remote Si- and C-stereocenters via desymmetrizing ene reaction of bis(methallyl)silanes","Chemical Science","2025","16","19","8454","8459","10.1039/D5SC01054C","","","1.54178","CuKα","","0.0436","0.0428","","","0.1164","0.117","","","","","","1.058","","","","has coordinates,has disorder","300594","2025-07-06","14:12:22",""
"1574284","14.5272","0.0005","18.2708","0.0006","16.2","0.0005","90","","111.107","0.001","90","","4011.4","0.2","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C72 H106 F12 N6 Ni O15 S4 -","- C72 H106 F12 N6 Ni O15 S4 -","- C144 H212 F24 N12 Ni2 O30 S8 -","2","1","","Cao, Qiuhui; Yang, Yuntian; Mei, Yiwen; Ji, Minghui; Wang, Fei; Feng, Xiaoming; Cao, Weidi","Catalytic asymmetric construction of 1,5-remote Si- and C-stereocenters via desymmetrizing ene reaction of bis(methallyl)silanes","Chemical Science","2025","16","19","8454","8459","10.1039/D5SC01054C","","","1.54178","CuKα","","0.0642","0.0611","","","0.1686","0.1737","","","","","","1.029","","","","has coordinates,has disorder","300594","2025-07-06","14:12:24",""
"1574286","10.9726","0.0002","22.2877","0.0004","11.9968","0.0002","90","","103.335","0.002","90","","2854.76","0.09","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","cis-BDPA","","- C33 H36 B2 Cl2 N2 -","- C33 H36 B2 Cl2 N2 -","- C132 H144 B8 Cl8 N8 -","4","1","","Zuo, Jingyao; Lalancette, Roger A.; Prokopchuk, Demyan E.; Jäkle, Frieder","Regioselective access to B–N Lewis pair-functionalized anthracenes: mechanistic studies and optoelectronic properties","Chemical Science","2025","16","18","8114","8124","10.1039/D5SC00597C","","x-ray","1.54184","CuKα","","0.0665","0.0495","","","0.1179","0.131","","","","","","1.061","","","","has coordinates","300643","2025-07-06","14:35:23",""
"1574287","25.6047","0.0003","7.5629","0.0001","15.1153","0.0002","90","","103.019","0.001","90","","2851.78","0.06","102","2","102","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H36 B2 Cl2 N2 -","- C33 H36 B2 Cl2 N2 -","- C132 H144 B8 Cl8 N8 -","4","0.5","","Zuo, Jingyao; Lalancette, Roger A.; Prokopchuk, Demyan E.; Jäkle, Frieder","Regioselective access to B–N Lewis pair-functionalized anthracenes: mechanistic studies and optoelectronic properties","Chemical Science","2025","16","18","8114","8124","10.1039/D5SC00597C","","x-ray","1.54184","CuKα","","0.0399","0.0372","","","0.0963","0.0986","","","","","","1.08","","","","has coordinates","300643","2025-07-06","14:35:26",""
"1574288","8.3251","0.0001","8.8817","0.0001","14.9449","0.0002","73.42","0.001","86.607","0.001","82.977","0.001","1050.81","0.02","99.8","0.3","99.8","0.3","","","","","","","","6","P -1","-P 1","2","","","","- C20 H15 F6 I N2 O4 -","- C20 H15 F6 I N2 O4 -","- C40 H30 F12 I2 N4 O8 -","2","1","","Otsuki, Shinya; Kanemoto, Kazuya; Martos, Daniel Carter; Kwon, Eunsang; Wencel-Delord, Joanna; Yoshikai, Naohiko","Diazomethyl-λ3-iodane meets aryne: dipolar cycloaddition and C-to-N iodane shift leading to indazolyl-λ3-iodanes","Chemical Science","2025","16","18","8053","8059","10.1039/D5SC00266D","","x-ray","0.71073","MoKα","","0.0204","0.0183","","","0.041","0.0417","","","","","","1.05","","","","has coordinates","300648","2025-07-06","14:37:21",""
"1574289","20.2478","0.001","12.0654","0.0006","24.41","0.0012","90","","106.52","0.002","90","","5717.1","0.5","130","2","130","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C72 H74 B2 N4 -","- C72 H74 B2 N4 -","- C288 H296 B8 N16 -","4","1","","Petrykowski, Wojciech D.; Vanthuyne, Nicolas; Naim, Carmelo; Bertocchi, Francesco; Poronik, Yevgen M.; Ciesielski, Arkadiusz; Cyrański, Michał K.; Terenziani, Francesca; Jacquemin, Denis; Gryko, Daniel T.","Double helicene possessing B–N dative bonds built on 1,4-dihydropyrrolo[3,2-b]pyrrole core","Chemical Science","2025","16","19","8338","8345","10.1039/D5SC00540J","","","0.71073","MoKα","","0.0751","0.052","","","0.1291","0.143","","","","","","1.045","","","","has coordinates,has disorder","300598","2025-07-06","14:13:28",""
"1574290","14.8961","0.0005","23.8496","0.0008","17.9551","0.0006","90","","105.52","0.002","90","","6146.2","0.4","130","","130","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C76 H74 B2 N4 S2 -","- C76 H74 B2 N4 S2 -","- C304 H296 B8 N16 S8 -","4","1","","Petrykowski, Wojciech D.; Vanthuyne, Nicolas; Naim, Carmelo; Bertocchi, Francesco; Poronik, Yevgen M.; Ciesielski, Arkadiusz; Cyrański, Michał K.; Terenziani, Francesca; Jacquemin, Denis; Gryko, Daniel T.","Double helicene possessing B–N dative bonds built on 1,4-dihydropyrrolo[3,2-b]pyrrole core","Chemical Science","2025","16","19","8338","8345","10.1039/D5SC00540J","","","0.71073","MoKα","","0.0546","0.042","","","0.1026","0.1122","","","","","","1.064","","","","has coordinates,has disorder","300598","2025-07-06","14:13:37",""
"1574291","9.9735","0.0015","6.9462","0.0016","31.359","0.007","90","","97.373","0.007","90","","2154.5","0.8","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H22 O2 S -","- C30 H22 O2 S -","- C120 H88 O8 S4 -","4","1","","Knyazev, Daniil A.; George, Malini; Werz, Daniel B.","(3 + 2)-Cycloaddition of bicyclobutanes and thioketones: access to 2-thiabicyclo[2.1.1]hexanes without the use of catalysts or light","Chemical Science","2025","16","19","8588","8593","10.1039/D5SC00125K","","x-ray","0.71073","MoKα","","0.0455","0.037","","","0.0908","0.0972","","","","","","1.038","","","","has coordinates","300599","2025-07-06","14:13:50",""
"1574292","11.698","0.003","12.037","0.004","17.473","0.005","90","","102.844","0.019","90","","2398.8","1.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H28 O S -","- C32 H28 O S -","- C128 H112 O4 S4 -","4","1","","Knyazev, Daniil A.; George, Malini; Werz, Daniel B.","(3 + 2)-Cycloaddition of bicyclobutanes and thioketones: access to 2-thiabicyclo[2.1.1]hexanes without the use of catalysts or light","Chemical Science","2025","16","19","8588","8593","10.1039/D5SC00125K","","x-ray","0.71073","MoKα","","0.0518","0.0429","","","0.1124","0.1197","","","","","","1.036","","","","has coordinates","300599","2025-07-06","14:13:59",""
"1574293","9.639","0.003","9.825","0.003","11.34","0.003","89.784","0.007","66.003","0.016","85.593","0.008","977.8","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H22 O2 S -","- C25 H22 O2 S -","- C50 H44 O4 S2 -","2","1","","Knyazev, Daniil A.; George, Malini; Werz, Daniel B.","(3 + 2)-Cycloaddition of bicyclobutanes and thioketones: access to 2-thiabicyclo[2.1.1]hexanes without the use of catalysts or light","Chemical Science","2025","16","19","8588","8593","10.1039/D5SC00125K","","x-ray","0.71073","MoKα","","0.0521","0.0415","","","0.1061","0.1127","","","","","","1.051","","","","has coordinates","300599","2025-07-06","14:14:00",""
"1574294","7.683","0.005","15.401","0.008","37.98","0.02","90","","90","","90","","4494","4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H26 O S -","- C30 H26 O S -","- C240 H208 O8 S8 -","8","2","","Knyazev, Daniil A.; George, Malini; Werz, Daniel B.","(3 + 2)-Cycloaddition of bicyclobutanes and thioketones: access to 2-thiabicyclo[2.1.1]hexanes without the use of catalysts or light","Chemical Science","2025","16","19","8588","8593","10.1039/D5SC00125K","","x-ray","0.71073","MoKα","","0.0891","0.07","","","0.1693","0.1791","","","","","","1.057","","","","has coordinates,has disorder","300599","2025-07-06","14:14:01",""
"1574297","9.8794","0.0001","9.9685","0.0001","21.1954","0.0003","103.298","0.001","98.331","0.001","90.09","0.001","2008.66","0.04","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C41 H63 N2 O2 P S Si -","- C41 H63 N2 O2 P S Si -","- C82 H126 N4 O4 P2 S2 Si2 -","2","1","","Krischer, Felix; Mayer, Stephan; Hensle, Lennart; Knyszek, Daniel; Darmandeh, Heidar; Gessner, Viktoria H.","Base-stabilized acyclic amino(ylidyl)silylenes: electron-rich donors for the stabilization of silicon-element multiple bonds","Chemical Science","2025","16","19","8346","8356","10.1039/D5SC01812A","","x-ray","1.54184","CuKα","","0.0403","0.0358","","","0.0916","0.0938","","","","","","1.055","","","","has coordinates","300602","2025-07-06","14:15:03",""
"1574298","9.8655","0.0001","10.6697","0.0001","17.5437","0.0001","90","","94.805","0.001","90","","1840.19","0.03","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C41 H45 N2 O2 P S Si -","- C41 H45 N2 O2 P S Si -","- C82 H90 N4 O4 P2 S2 Si2 -","2","1","","Krischer, Felix; Mayer, Stephan; Hensle, Lennart; Knyszek, Daniel; Darmandeh, Heidar; Gessner, Viktoria H.","Base-stabilized acyclic amino(ylidyl)silylenes: electron-rich donors for the stabilization of silicon-element multiple bonds","Chemical Science","2025","16","19","8346","8356","10.1039/D5SC01812A","","x-ray","1.54184","CuKα","","0.028","0.0276","","","0.0731","0.0734","","","","","","1.015","","","","has coordinates","300602","2025-07-06","14:15:14",""
"1574299","14.8143","0.0001","14.4078","0.0001","17.4032","0.0002","90","","114.35","0.001","90","","3384.13","0.06","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H38 N3 P S2 Si -","- C36 H38 N3 P S2 Si -","- C144 H152 N12 P4 S8 Si4 -","4","1","","Krischer, Felix; Mayer, Stephan; Hensle, Lennart; Knyszek, Daniel; Darmandeh, Heidar; Gessner, Viktoria H.","Base-stabilized acyclic amino(ylidyl)silylenes: electron-rich donors for the stabilization of silicon-element multiple bonds","Chemical Science","2025","16","19","8346","8356","10.1039/D5SC01812A","","x-ray","1.54184","CuKα","","0.0352","0.0326","","","0.0893","0.0913","","","","","","1.051","","","","has coordinates","300602","2025-07-06","14:15:15",""
"1574300","13.6372","0.0001","14.835","0.0001","20.8762","0.0002","90","","100.641","0.001","90","","4150.79","0.06","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C42 H63 N2 O2 P S3 Si -","- C42 H63 N2 O2 P S3 Si -","- C168 H252 N8 O8 P4 S12 Si4 -","4","1","","Krischer, Felix; Mayer, Stephan; Hensle, Lennart; Knyszek, Daniel; Darmandeh, Heidar; Gessner, Viktoria H.","Base-stabilized acyclic amino(ylidyl)silylenes: electron-rich donors for the stabilization of silicon-element multiple bonds","Chemical Science","2025","16","19","8346","8356","10.1039/D5SC01812A","","x-ray","1.54184","CuKα","","0.0427","0.0387","","","0.1054","0.1085","","","","","","1.051","","","","has coordinates","300602","2025-07-06","14:15:17",""
"1574301","64.6062","0.0004","10.3354","0.0001","19.7968","0.0001","90","","94.664","0.001","90","","13175.2","0.17","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C73 H79 N6 P2 Si2 -","- C73 H79 N6 P2 Si2 -","- C584 H632 N48 P16 Si16 -","8","1","","Krischer, Felix; Mayer, Stephan; Hensle, Lennart; Knyszek, Daniel; Darmandeh, Heidar; Gessner, Viktoria H.","Base-stabilized acyclic amino(ylidyl)silylenes: electron-rich donors for the stabilization of silicon-element multiple bonds","Chemical Science","2025","16","19","8346","8356","10.1039/D5SC01812A","","x-ray","1.54184","CuKα","","0.064","0.0618","","","0.183","0.1845","","","","","","1.184","","","","has coordinates","300602","2025-07-06","14:15:18",""
"1574302","11.7868","0.0001","18.1246","0.0001","14.9114","0.0001","90","","98.034","0.001","90","","3154.27","0.04","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H38 N3 O3 P Si -","- C36 H38 N3 O3 P Si -","- C144 H152 N12 O12 P4 Si4 -","4","1","","Krischer, Felix; Mayer, Stephan; Hensle, Lennart; Knyszek, Daniel; Darmandeh, Heidar; Gessner, Viktoria H.","Base-stabilized acyclic amino(ylidyl)silylenes: electron-rich donors for the stabilization of silicon-element multiple bonds","Chemical Science","2025","16","19","8346","8356","10.1039/D5SC01812A","","x-ray","1.54184","CuKα","","0.0378","0.0341","","","0.0895","0.0921","","","","","","1.055","","","","has coordinates","300602","2025-07-06","14:15:26",""
"1574303","10.2796","0.0002","12.9114","0.0002","18.3044","0.0002","74.267","0.001","77.107","0.001","69.783","0.002","2171.7","0.07","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C47 H69 N2 O3 P S Si -","- C47 H69 N2 O3 P S Si -","- C94 H138 N4 O6 P2 S2 Si2 -","2","1","","Krischer, Felix; Mayer, Stephan; Hensle, Lennart; Knyszek, Daniel; Darmandeh, Heidar; Gessner, Viktoria H.","Base-stabilized acyclic amino(ylidyl)silylenes: electron-rich donors for the stabilization of silicon-element multiple bonds","Chemical Science","2025","16","19","8346","8356","10.1039/D5SC01812A","","x-ray","1.54184","CuKα","","0.0334","0.0322","","","0.0821","0.0839","","","","","","1.051","","","","has coordinates","300602","2025-07-06","14:15:27",""
"1574304","20.4704","0.0002","8.8183","0.0001","23.8065","0.0002","90","","105.305","0.001","90","","4145","0.07","109","2","109","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H48 N5 P Si -","- C48 H48 N5 P Si -","- C192 H192 N20 P4 Si4 -","4","1","","Krischer, Felix; Mayer, Stephan; Hensle, Lennart; Knyszek, Daniel; Darmandeh, Heidar; Gessner, Viktoria H.","Base-stabilized acyclic amino(ylidyl)silylenes: electron-rich donors for the stabilization of silicon-element multiple bonds","Chemical Science","2025","16","19","8346","8356","10.1039/D5SC01812A","","x-ray","1.54184","CuKα","","0.0388","0.0349","","","0.0879","0.0904","","","","","","1.022","","","","has coordinates","300602","2025-07-06","14:15:30",""
"1574305","19.8252","0.0001","16.0822","0.0001","26.2606","0.0002","90","","96.777","0.001","90","","8314.24","0.09","100","2","100","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C94 H100 N6 O2 P2 Si2 -","- C94 H100 N6 O2 P2 Si2 -","- C376 H400 N24 O8 P8 Si8 -","4","0.5","","Krischer, Felix; Mayer, Stephan; Hensle, Lennart; Knyszek, Daniel; Darmandeh, Heidar; Gessner, Viktoria H.","Base-stabilized acyclic amino(ylidyl)silylenes: electron-rich donors for the stabilization of silicon-element multiple bonds","Chemical Science","2025","16","19","8346","8356","10.1039/D5SC01812A","","x-ray","1.54184","CuKα","","0.0423","0.0405","","","0.1098","0.1114","","","","","","1.038","","","","has coordinates,has disorder","300602","2025-07-06","14:15:31",""
"1574306","9.9591","0.0001","12.806","0.0001","22.0685","0.0003","76.279","0.001","89.357","0.001","87.916","0.001","2732.39","0.05","105","2","105","2","","","","","","","","7","P -1","-P 1","2","","","","- C61 H81 N4 O2 P S Si -","- C61 H81 N4 O2 P S Si -","- C122 H162 N8 O4 P2 S2 Si2 -","2","1","","Krischer, Felix; Mayer, Stephan; Hensle, Lennart; Knyszek, Daniel; Darmandeh, Heidar; Gessner, Viktoria H.","Base-stabilized acyclic amino(ylidyl)silylenes: electron-rich donors for the stabilization of silicon-element multiple bonds","Chemical Science","2025","16","19","8346","8356","10.1039/D5SC01812A","","x-ray","1.54184","CuKα","","0.0412","0.0345","","","0.0874","0.0913","","","","","","1.027","","","","has coordinates,has disorder","300602","2025-07-06","14:15:39",""
"1574307","11.4285","0.0001","27.5512","0.0001","14.3976","0.0001","90","","100.775","0.001","90","","4453.43","0.05","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C46 H72 N3 O2 P S Si -","- C46 H72 N3 O2 P S Si -","- C184 H288 N12 O8 P4 S4 Si4 -","4","1","","Krischer, Felix; Mayer, Stephan; Hensle, Lennart; Knyszek, Daniel; Darmandeh, Heidar; Gessner, Viktoria H.","Base-stabilized acyclic amino(ylidyl)silylenes: electron-rich donors for the stabilization of silicon-element multiple bonds","Chemical Science","2025","16","19","8346","8356","10.1039/D5SC01812A","","x-ray","1.54184","CuKα","","0.0353","0.033","","","0.0866","0.0881","","","","","","1.038","","","","has coordinates","300602","2025-07-06","14:15:41",""
"1574308","5.7109","0.0002","14.3218","0.0005","17.0215","0.0006","90","","90","","90","","1392.19","0.08","180","2","180","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H24 N2 O2 -","- C14 H24 N2 O2 -","- C56 H96 N8 O8 -","4","1","","Hanna, Fergal E.; Bond, Andrew D.; Hunter, Christopher A.","Quantification of the effects of n-π* interactions on the H-bonding properties of amide groups","Chemical Science","2025","16","18","7894","7901","10.1039/D4SC08331H","","","1.54178","CuKα","","0.0359","0.0342","","","0.0827","0.0843","","","","","","1.08","","","","has coordinates","300641","2025-07-06","14:34:48",""
"1574309","6.0753","0.0002","19.1206","0.0008","8.3541","0.0003","90","","109.392","0.002","90","","915.39","0.06","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H17 N O -","- C9 H17 N O -","- C36 H68 N4 O4 -","4","1","","Hanna, Fergal E.; Bond, Andrew D.; Hunter, Christopher A.","Quantification of the effects of n-π* interactions on the H-bonding properties of amide groups","Chemical Science","2025","16","18","7894","7901","10.1039/D4SC08331H","","","1.54178","CuKα","","0.0505","0.0419","","","0.1088","0.1152","","","","","","1.067","","","","has coordinates","300641","2025-07-06","14:34:50",""
"1574310","5.9843","0.0002","9.7264","0.0004","12.6732","0.0005","73.16","0.002","78.918","0.002","86.645","0.002","692.85","0.05","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H24 N2 O2 -","- C14 H24 N2 O2 -","- C28 H48 N4 O4 -","2","1","","Hanna, Fergal E.; Bond, Andrew D.; Hunter, Christopher A.","Quantification of the effects of n-π* interactions on the H-bonding properties of amide groups","Chemical Science","2025","16","18","7894","7901","10.1039/D4SC08331H","","","1.54178","CuKα","","0.0492","0.0445","","","0.1212","0.126","","","","","","1.075","","","","has coordinates,has disorder","300641","2025-07-06","14:34:51",""
"1574311","11.789","0.011","5.5068","0.0003","10.461","0.005","90","","116.23","0.09","90","","609.2","0.8","298","2","298","2","20570000","","20570000","","","","","3","P 1 21/c 1","-P 2ybc","14","","trans-azobenzene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Agati, Milo; Romi, Sebastiano; Fanetti, Samuele; Radacki, Krzysztof; Hanfland, Michael; Braunschweig, Holger; Marder, Todd B.; Clark, Stewart J.; Friedrich, Alexandra; Bini, Roberto","Insights into topochemical versus stress-induced high-pressure reactivity of azobenzene by single crystal X-ray diffraction","Chemical Science","2025","16","21","9240","9254","10.1039/D5SC00432B","","x-ray","0.41","synchrotron","","0.1457","0.1256","","","0.3305","0.364","","","","","","1.53","","","","has coordinates","300674","2025-07-06","14:48:25",""
"1574312","11.75","0.009","5.503","0.0002","10.447","0.004","90","","116.33","0.07","90","","605.4","0.6","298","2","298","2","21240000","","21240000","","","","","3","P 1 21/c 1","-P 2ybc","14","","trans-azobenzene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Agati, Milo; Romi, Sebastiano; Fanetti, Samuele; Radacki, Krzysztof; Hanfland, Michael; Braunschweig, Holger; Marder, Todd B.; Clark, Stewart J.; Friedrich, Alexandra; Bini, Roberto","Insights into topochemical versus stress-induced high-pressure reactivity of azobenzene by single crystal X-ray diffraction","Chemical Science","2025","16","21","9240","9254","10.1039/D5SC00432B","","x-ray","0.41","synchrotron","","0.0824","0.0757","","","0.2277","0.236","","","","","","1.122","","","","has coordinates","300674","2025-07-06","14:48:26",""
"1574313","11.47","0.02","5.4795","0.0005","10.352","0.008","90","","116.77","0.17","90","","580.9","1.4","298","2","298","2","25890000","","25890000","","","","","3","P 1 21/c 1","-P 2ybc","14","","trans-azobenzene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Agati, Milo; Romi, Sebastiano; Fanetti, Samuele; Radacki, Krzysztof; Hanfland, Michael; Braunschweig, Holger; Marder, Todd B.; Clark, Stewart J.; Friedrich, Alexandra; Bini, Roberto","Insights into topochemical versus stress-induced high-pressure reactivity of azobenzene by single crystal X-ray diffraction","Chemical Science","2025","16","21","9240","9254","10.1039/D5SC00432B","","x-ray","0.41","synchrotron","","0.0837","0.0754","","","0.2348","0.2448","","","","","","1.17","","","","has coordinates","300674","2025-07-06","14:48:26",""
"1574314","11.626","0.01","5.4869","0.0002","10.397","0.004","90","","116.56","0.08","90","","593.2","0.7","298","2","298","2","23570000","","23570000","","","","","3","P 1 21/c 1","-P 2ybc","14","","trans-azobenzene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Agati, Milo; Romi, Sebastiano; Fanetti, Samuele; Radacki, Krzysztof; Hanfland, Michael; Braunschweig, Holger; Marder, Todd B.; Clark, Stewart J.; Friedrich, Alexandra; Bini, Roberto","Insights into topochemical versus stress-induced high-pressure reactivity of azobenzene by single crystal X-ray diffraction","Chemical Science","2025","16","21","9240","9254","10.1039/D5SC00432B","","x-ray","0.41","synchrotron","","0.0767","0.0693","","","0.2057","0.214","","","","","","1.092","","","","has coordinates","300674","2025-07-06","14:48:26",""
"1574315","11.719","0.009","5.5018","0.0002","10.44","0.004","90","","116.41","0.07","90","","602.9","0.6","298","2","298","2","21810000","","21810000","","","","","3","P 1 21/c 1","-P 2ybc","14","","trans-azobenzene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Agati, Milo; Romi, Sebastiano; Fanetti, Samuele; Radacki, Krzysztof; Hanfland, Michael; Braunschweig, Holger; Marder, Todd B.; Clark, Stewart J.; Friedrich, Alexandra; Bini, Roberto","Insights into topochemical versus stress-induced high-pressure reactivity of azobenzene by single crystal X-ray diffraction","Chemical Science","2025","16","21","9240","9254","10.1039/D5SC00432B","","x-ray","0.41","synchrotron","","0.0852","0.0769","","","0.2354","0.247","","","","","","1.162","","","","has coordinates","300674","2025-07-06","14:48:26",""
"1574316","11.44","0.03","5.4806","0.0006","10.344","0.011","90","","116.8","0.2","90","","578.9","1.9","298","2","298","2","26190000","","26190000","","","","","3","P 1 21/c 1","-P 2ybc","14","","trans-azobenzene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Agati, Milo; Romi, Sebastiano; Fanetti, Samuele; Radacki, Krzysztof; Hanfland, Michael; Braunschweig, Holger; Marder, Todd B.; Clark, Stewart J.; Friedrich, Alexandra; Bini, Roberto","Insights into topochemical versus stress-induced high-pressure reactivity of azobenzene by single crystal X-ray diffraction","Chemical Science","2025","16","21","9240","9254","10.1039/D5SC00432B","","x-ray","0.41","synchrotron","","0.1014","0.0871","","","0.2703","0.285","","","","","","1.165","","","","has coordinates","300674","2025-07-06","14:48:26",""
"1574317","11.66","0.01","5.489","0.0002","10.407","0.004","90","","116.47","0.08","90","","596.2","0.7","298","2","298","2","23070000","","23070000","","","","","3","P 1 21/c 1","-P 2ybc","14","","trans-azobenzene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Agati, Milo; Romi, Sebastiano; Fanetti, Samuele; Radacki, Krzysztof; Hanfland, Michael; Braunschweig, Holger; Marder, Todd B.; Clark, Stewart J.; Friedrich, Alexandra; Bini, Roberto","Insights into topochemical versus stress-induced high-pressure reactivity of azobenzene by single crystal X-ray diffraction","Chemical Science","2025","16","21","9240","9254","10.1039/D5SC00432B","","x-ray","0.41","synchrotron","","0.0764","0.0687","","","0.2058","0.2143","","","","","","1.117","","","","has coordinates","300674","2025-07-06","14:48:26",""
"1574318","11.513","0.011","5.4804","0.0003","10.357","0.004","90","","116.78","0.09","90","","583.4","0.8","298","2","298","2","25500000","","25500000","","","","","3","P 1 21/c 1","-P 2ybc","14","","trans-azobenzene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Agati, Milo; Romi, Sebastiano; Fanetti, Samuele; Radacki, Krzysztof; Hanfland, Michael; Braunschweig, Holger; Marder, Todd B.; Clark, Stewart J.; Friedrich, Alexandra; Bini, Roberto","Insights into topochemical versus stress-induced high-pressure reactivity of azobenzene by single crystal X-ray diffraction","Chemical Science","2025","16","21","9240","9254","10.1039/D5SC00432B","","x-ray","0.41","synchrotron","","0.0996","0.0923","","","0.2859","0.3003","","","","","","1.335","","","","has coordinates","300674","2025-07-06","14:48:26",""
"1574319","11.55","0.011","5.483","0.0003","10.377","0.004","90","","116.73","0.08","90","","586.9","0.7","298","2","298","2","24720000","","24720000","","","","","3","P 1 21/c 1","-P 2ybc","14","","trans-azobenzene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Agati, Milo; Romi, Sebastiano; Fanetti, Samuele; Radacki, Krzysztof; Hanfland, Michael; Braunschweig, Holger; Marder, Todd B.; Clark, Stewart J.; Friedrich, Alexandra; Bini, Roberto","Insights into topochemical versus stress-induced high-pressure reactivity of azobenzene by single crystal X-ray diffraction","Chemical Science","2025","16","21","9240","9254","10.1039/D5SC00432B","","x-ray","0.41","synchrotron","","0.0935","0.0866","","","0.2686","0.2812","","","","","","1.251","","","","has coordinates","300674","2025-07-06","14:48:26",""
"1574320","11.671","0.01","5.4939","0.0002","10.418","0.004","90","","116.47","0.08","90","","598","0.7","298","2","298","2","22660000","","22660000","","","","","3","P 1 21/c 1","-P 2ybc","14","","trans-azobenzene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Agati, Milo; Romi, Sebastiano; Fanetti, Samuele; Radacki, Krzysztof; Hanfland, Michael; Braunschweig, Holger; Marder, Todd B.; Clark, Stewart J.; Friedrich, Alexandra; Bini, Roberto","Insights into topochemical versus stress-induced high-pressure reactivity of azobenzene by single crystal X-ray diffraction","Chemical Science","2025","16","21","9240","9254","10.1039/D5SC00432B","","x-ray","0.41","synchrotron","","0.0732","0.0658","","","0.2016","0.2116","","","","","","1.117","","","","has coordinates","300674","2025-07-06","14:48:26",""
"1574321","11.592","0.009","5.4837","0.0002","10.385","0.004","90","","116.64","0.07","90","","590.1","0.6","298","2","298","2","24110000","","24110000","","","","","3","P 1 21/c 1","-P 2ybc","14","","trans-azobenzene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Agati, Milo; Romi, Sebastiano; Fanetti, Samuele; Radacki, Krzysztof; Hanfland, Michael; Braunschweig, Holger; Marder, Todd B.; Clark, Stewart J.; Friedrich, Alexandra; Bini, Roberto","Insights into topochemical versus stress-induced high-pressure reactivity of azobenzene by single crystal X-ray diffraction","Chemical Science","2025","16","21","9240","9254","10.1039/D5SC00432B","","x-ray","0.41","synchrotron","","0.0762","0.0675","","","0.2059","0.2147","","","","","","1.113","","","","has coordinates","300674","2025-07-06","14:48:26",""
"1574322","11.694","0.01","5.4975","0.0002","10.427","0.004","90","","116.44","0.08","90","","600.2","0.7","298","2","298","2","22310000","","22310000","","","","","3","P 1 21/c 1","-P 2ybc","14","","trans-azobenzene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Agati, Milo; Romi, Sebastiano; Fanetti, Samuele; Radacki, Krzysztof; Hanfland, Michael; Braunschweig, Holger; Marder, Todd B.; Clark, Stewart J.; Friedrich, Alexandra; Bini, Roberto","Insights into topochemical versus stress-induced high-pressure reactivity of azobenzene by single crystal X-ray diffraction","Chemical Science","2025","16","21","9240","9254","10.1039/D5SC00432B","","x-ray","0.41","synchrotron","","0.0791","0.0693","","","0.2042","0.2151","","","","","","1.113","","","","has coordinates","300674","2025-07-06","14:48:26",""
"1574323","15.223","0.014","5.7851","0.0005","12.174","0.004","90","","112.45","0.07","90","","990.9","1.1","298","2","298","2","100","","100","","","","","3","P 1 21/c 1","-P 2ybc","14","","trans-azobenzene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Agati, Milo; Romi, Sebastiano; Fanetti, Samuele; Radacki, Krzysztof; Hanfland, Michael; Braunschweig, Holger; Marder, Todd B.; Clark, Stewart J.; Friedrich, Alexandra; Bini, Roberto","Insights into topochemical versus stress-induced high-pressure reactivity of azobenzene by single crystal X-ray diffraction","Chemical Science","2025","16","21","9240","9254","10.1039/D5SC00432B","","x-ray","0.41","synchrotron","","0.0935","0.0609","","","0.1434","0.1625","","","","","","1.045","","","","has coordinates,has disorder","300674","2025-07-06","14:48:26",""
"1574324","12.452","0.008","5.4749","0.0006","10.723","0.004","90","","114.9","0.07","90","","663.1","0.6","298","2","298","2","13040000","","13040000","","","","","3","P 1 21/c 1","-P 2ybc","14","","trans-azobenzene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Agati, Milo; Romi, Sebastiano; Fanetti, Samuele; Radacki, Krzysztof; Hanfland, Michael; Braunschweig, Holger; Marder, Todd B.; Clark, Stewart J.; Friedrich, Alexandra; Bini, Roberto","Insights into topochemical versus stress-induced high-pressure reactivity of azobenzene by single crystal X-ray diffraction","Chemical Science","2025","16","21","9240","9254","10.1039/D5SC00432B","","x-ray","0.41","synchrotron","","0.0987","0.0684","","","0.1727","0.1857","","","","","","0.954","","","","has coordinates","300674","2025-07-06","14:48:26",""
"1574325","14.984","0.0004","5.6983","0.0001","12.0341","0.0003","90","","112.452","0.003","90","","949.63","0.04","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","trans-azobenzene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Agati, Milo; Romi, Sebastiano; Fanetti, Samuele; Radacki, Krzysztof; Hanfland, Michael; Braunschweig, Holger; Marder, Todd B.; Clark, Stewart J.; Friedrich, Alexandra; Bini, Roberto","Insights into topochemical versus stress-induced high-pressure reactivity of azobenzene by single crystal X-ray diffraction","Chemical Science","2025","16","21","9240","9254","10.1039/D5SC00432B","","x-ray","1.54184","CuKα","","0.0363","0.0335","","","0.0838","0.0856","","","","","","1.06","","","","has coordinates","300674","2025-07-06","14:48:26",""
"1574326","12.38","0.02","5.4468","0.0007","10.725","0.006","90","","114.53","0.13","90","","657.9","1.3","298","2","298","2","13570000","","13570000","","","","","3","P 1 21/c 1","-P 2ybc","14","","trans-azobenzene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Agati, Milo; Romi, Sebastiano; Fanetti, Samuele; Radacki, Krzysztof; Hanfland, Michael; Braunschweig, Holger; Marder, Todd B.; Clark, Stewart J.; Friedrich, Alexandra; Bini, Roberto","Insights into topochemical versus stress-induced high-pressure reactivity of azobenzene by single crystal X-ray diffraction","Chemical Science","2025","16","21","9240","9254","10.1039/D5SC00432B","","x-ray","0.41","synchrotron","","0.1049","0.0819","","","0.2257","0.2412","","","","","","1.096","","","","has coordinates","300674","2025-07-06","14:48:26",""
"1574327","13.08","0.02","5.1502","0.0008","10.814","0.007","90","","113.12","0.14","90","","670","1.3","298","2","298","2","12680000","","12680000","","","","","3","P 1 21/c 1","-P 2ybc","14","","trans-azobenzene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Agati, Milo; Romi, Sebastiano; Fanetti, Samuele; Radacki, Krzysztof; Hanfland, Michael; Braunschweig, Holger; Marder, Todd B.; Clark, Stewart J.; Friedrich, Alexandra; Bini, Roberto","Insights into topochemical versus stress-induced high-pressure reactivity of azobenzene by single crystal X-ray diffraction","Chemical Science","2025","16","21","9240","9254","10.1039/D5SC00432B","","x-ray","0.41","synchrotron","","0.1132","0.0902","","","0.2457","0.2604","","","","","","1.344","","","","has coordinates,has disorder","300674","2025-07-06","14:48:26",""
"1574328","14.89","0.01","5.6496","0.0003","11.905","0.003","90","","112.44","0.05","90","","925.6","0.7","298","2","298","2","541000","","541000","","","","","3","P 1 21/c 1","-P 2ybc","14","","trans-azobenzene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Agati, Milo; Romi, Sebastiano; Fanetti, Samuele; Radacki, Krzysztof; Hanfland, Michael; Braunschweig, Holger; Marder, Todd B.; Clark, Stewart J.; Friedrich, Alexandra; Bini, Roberto","Insights into topochemical versus stress-induced high-pressure reactivity of azobenzene by single crystal X-ray diffraction","Chemical Science","2025","16","21","9240","9254","10.1039/D5SC00432B","","x-ray","0.41","synchrotron","","0.0746","0.0579","","","0.1579","0.17","","","","","","1.058","","","","has coordinates,has disorder","300674","2025-07-06","14:48:26",""
"1574329","12.096","0.015","5.5053","0.0004","10.57","0.005","90","","115.42","0.11","90","","635.7","1","298","2","298","2","16270000","","16270000","","","","","3","P 1 21/c 1","-P 2ybc","14","","trans-azobenzene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Agati, Milo; Romi, Sebastiano; Fanetti, Samuele; Radacki, Krzysztof; Hanfland, Michael; Braunschweig, Holger; Marder, Todd B.; Clark, Stewart J.; Friedrich, Alexandra; Bini, Roberto","Insights into topochemical versus stress-induced high-pressure reactivity of azobenzene by single crystal X-ray diffraction","Chemical Science","2025","16","21","9240","9254","10.1039/D5SC00432B","","x-ray","0.41","synchrotron","","0.0778","0.0687","","","0.2026","0.2122","","","","","","1.123","","","","has coordinates","300674","2025-07-06","14:48:26",""
"1574330","12.064","0.014","5.5054","0.0004","10.545","0.005","90","","115.46","0.1","90","","632.4","1","298","2","298","2","16750000","","16750000","","","","","3","P 1 21/c 1","-P 2ybc","14","","trans-azobenzene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Agati, Milo; Romi, Sebastiano; Fanetti, Samuele; Radacki, Krzysztof; Hanfland, Michael; Braunschweig, Holger; Marder, Todd B.; Clark, Stewart J.; Friedrich, Alexandra; Bini, Roberto","Insights into topochemical versus stress-induced high-pressure reactivity of azobenzene by single crystal X-ray diffraction","Chemical Science","2025","16","21","9240","9254","10.1039/D5SC00432B","","x-ray","0.41","synchrotron","","0.0723","0.0642","","","0.1906","0.1988","","","","","","1.14","","","","has coordinates","300674","2025-07-06","14:48:26",""
"1574331","12.013","0.014","5.5124","0.0004","10.539","0.005","90","","115.68","0.1","90","","629","1","298","2","298","2","17250000","","17250000","","","","","3","P 1 21/c 1","-P 2ybc","14","","trans-azobenzene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Agati, Milo; Romi, Sebastiano; Fanetti, Samuele; Radacki, Krzysztof; Hanfland, Michael; Braunschweig, Holger; Marder, Todd B.; Clark, Stewart J.; Friedrich, Alexandra; Bini, Roberto","Insights into topochemical versus stress-induced high-pressure reactivity of azobenzene by single crystal X-ray diffraction","Chemical Science","2025","16","21","9240","9254","10.1039/D5SC00432B","","x-ray","0.41","synchrotron","","0.0679","0.0603","","","0.1745","0.1817","","","","","","1.105","","","","has coordinates","300674","2025-07-06","14:48:26",""
"1574332","12.24","0.02","5.4747","0.0006","10.639","0.007","90","","114.84","0.14","90","","647","1.4","298","2","298","2","14668000","","14668000","","","","","3","P 1 21/c 1","-P 2ybc","14","","trans-azobenzene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Agati, Milo; Romi, Sebastiano; Fanetti, Samuele; Radacki, Krzysztof; Hanfland, Michael; Braunschweig, Holger; Marder, Todd B.; Clark, Stewart J.; Friedrich, Alexandra; Bini, Roberto","Insights into topochemical versus stress-induced high-pressure reactivity of azobenzene by single crystal X-ray diffraction","Chemical Science","2025","16","21","9240","9254","10.1039/D5SC00432B","","x-ray","0.41","synchrotron","","0.1057","0.0907","","","0.2564","0.2777","","","","","","1.116","","","","has coordinates","300674","2025-07-06","14:48:26",""
"1574333","13.162","0.011","5.1734","0.0003","10.885","0.003","90","","113.15","0.07","90","","681.5","0.7","298","2","298","2","11540000","","11540000","","","","","3","P 1 21/c 1","-P 2ybc","14","","trans-azobenzene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Agati, Milo; Romi, Sebastiano; Fanetti, Samuele; Radacki, Krzysztof; Hanfland, Michael; Braunschweig, Holger; Marder, Todd B.; Clark, Stewart J.; Friedrich, Alexandra; Bini, Roberto","Insights into topochemical versus stress-induced high-pressure reactivity of azobenzene by single crystal X-ray diffraction","Chemical Science","2025","16","21","9240","9254","10.1039/D5SC00432B","","x-ray","0.41","synchrotron","","0.0888","0.0731","","","0.2059","0.2192","","","","","","1.103","","","","has coordinates,has disorder","300674","2025-07-06","14:48:26",""
"1574334","14.71","0.01","5.5772","0.0003","11.759","0.003","90","","112.39","0.05","90","","892","0.7","298","2","298","2","1015000","","1015000","","","","","3","P 1 21/c 1","-P 2ybc","14","","trans-azobenzene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Agati, Milo; Romi, Sebastiano; Fanetti, Samuele; Radacki, Krzysztof; Hanfland, Michael; Braunschweig, Holger; Marder, Todd B.; Clark, Stewart J.; Friedrich, Alexandra; Bini, Roberto","Insights into topochemical versus stress-induced high-pressure reactivity of azobenzene by single crystal X-ray diffraction","Chemical Science","2025","16","21","9240","9254","10.1039/D5SC00432B","","x-ray","0.41","synchrotron","","0.0718","0.0554","","","0.158","0.1688","","","","","","1.077","","","","has coordinates,has disorder","300674","2025-07-06","14:48:26",""
"1574335","12.162","0.016","5.4949","0.0004","10.602","0.006","90","","115.15","0.11","90","","641.4","1.1","298","2","298","2","15550000","","15550000","","","","","3","P 1 21/c 1","-P 2ybc","14","","trans-azobenzene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Agati, Milo; Romi, Sebastiano; Fanetti, Samuele; Radacki, Krzysztof; Hanfland, Michael; Braunschweig, Holger; Marder, Todd B.; Clark, Stewart J.; Friedrich, Alexandra; Bini, Roberto","Insights into topochemical versus stress-induced high-pressure reactivity of azobenzene by single crystal X-ray diffraction","Chemical Science","2025","16","21","9240","9254","10.1039/D5SC00432B","","x-ray","0.41","synchrotron","","0.0925","0.0817","","","0.2356","0.2476","","","","","","1.138","","","","has coordinates","300674","2025-07-06","14:48:26",""
"1574336","15.088","0.013","5.7289","0.0004","12.059","0.004","90","","112.42","0.07","90","","963.6","1","298","2","298","2","193000","","193000","","","","","3","P 1 21/c 1","-P 2ybc","14","","trans-azobenzene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Agati, Milo; Romi, Sebastiano; Fanetti, Samuele; Radacki, Krzysztof; Hanfland, Michael; Braunschweig, Holger; Marder, Todd B.; Clark, Stewart J.; Friedrich, Alexandra; Bini, Roberto","Insights into topochemical versus stress-induced high-pressure reactivity of azobenzene by single crystal X-ray diffraction","Chemical Science","2025","16","21","9240","9254","10.1039/D5SC00432B","","x-ray","0.41","synchrotron","","0.0862","0.062","","","0.1587","0.1783","","","","","","1.051","","","","has coordinates,has disorder","300674","2025-07-06","14:48:26",""
"1574337","13.22","0.008","5.175","0.0002","10.904","0.003","90","","113.08","0.05","90","","686.3","0.5","298","2","298","2","11020000","","11020000","","","","","3","P 1 21/c 1","-P 2ybc","14","","trans-azobenzene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Agati, Milo; Romi, Sebastiano; Fanetti, Samuele; Radacki, Krzysztof; Hanfland, Michael; Braunschweig, Holger; Marder, Todd B.; Clark, Stewart J.; Friedrich, Alexandra; Bini, Roberto","Insights into topochemical versus stress-induced high-pressure reactivity of azobenzene by single crystal X-ray diffraction","Chemical Science","2025","16","21","9240","9254","10.1039/D5SC00432B","","x-ray","0.41","synchrotron","","0.0816","0.0706","","","0.1966","0.2064","","","","","","1.07","","","","has coordinates,has disorder","300674","2025-07-06","14:48:26",""
"1574338","13.261","0.008","5.1782","0.0002","10.915","0.002","90","","113.01","0.05","90","","689.9","0.5","298","2","298","2","10580000","","10580000","","","","","3","P 1 21/c 1","-P 2ybc","14","","trans-azobenzene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Agati, Milo; Romi, Sebastiano; Fanetti, Samuele; Radacki, Krzysztof; Hanfland, Michael; Braunschweig, Holger; Marder, Todd B.; Clark, Stewart J.; Friedrich, Alexandra; Bini, Roberto","Insights into topochemical versus stress-induced high-pressure reactivity of azobenzene by single crystal X-ray diffraction","Chemical Science","2025","16","21","9240","9254","10.1039/D5SC00432B","","x-ray","0.41","synchrotron","","0.0763","0.0684","","","0.1874","0.1941","","","","","","1.068","","","","has coordinates,has disorder","300674","2025-07-06","14:48:26",""
"1574339","13.08","0.03","5.1368","0.0012","10.777","0.009","90","","112.98","0.19","90","","666.6","1.9","298","2","298","2","13040000","","13040000","","","","","3","P 1 21/c 1","-P 2ybc","14","","trans-azobenzene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Agati, Milo; Romi, Sebastiano; Fanetti, Samuele; Radacki, Krzysztof; Hanfland, Michael; Braunschweig, Holger; Marder, Todd B.; Clark, Stewart J.; Friedrich, Alexandra; Bini, Roberto","Insights into topochemical versus stress-induced high-pressure reactivity of azobenzene by single crystal X-ray diffraction","Chemical Science","2025","16","21","9240","9254","10.1039/D5SC00432B","","x-ray","0.41","synchrotron","","0.1379","0.1062","","","0.2887","0.3108","","","","","","1.18","","","","has coordinates,has disorder","300674","2025-07-06","14:48:26",""
"1574340","14.998","0.011","5.694","0.0003","11.992","0.003","90","","112.43","0.06","90","","946.6","0.8","298","2","298","2","306000","","306000","","","","","3","P 1 21/c 1","-P 2ybc","14","","trans-azobenzene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Agati, Milo; Romi, Sebastiano; Fanetti, Samuele; Radacki, Krzysztof; Hanfland, Michael; Braunschweig, Holger; Marder, Todd B.; Clark, Stewart J.; Friedrich, Alexandra; Bini, Roberto","Insights into topochemical versus stress-induced high-pressure reactivity of azobenzene by single crystal X-ray diffraction","Chemical Science","2025","16","21","9240","9254","10.1039/D5SC00432B","","x-ray","0.41","synchrotron","","0.0795","0.0591","","","0.1652","0.1784","","","","","","1.078","","","","has coordinates,has disorder","300674","2025-07-06","14:48:26",""
"1574341","13.111","0.017","5.1676","0.0004","10.86","0.005","90","","113.15","0.1","90","","676.5","1.1","298","2","298","2","11950000","","11950000","","","","","3","P 1 21/c 1","-P 2ybc","14","","trans-azobenzene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Agati, Milo; Romi, Sebastiano; Fanetti, Samuele; Radacki, Krzysztof; Hanfland, Michael; Braunschweig, Holger; Marder, Todd B.; Clark, Stewart J.; Friedrich, Alexandra; Bini, Roberto","Insights into topochemical versus stress-induced high-pressure reactivity of azobenzene by single crystal X-ray diffraction","Chemical Science","2025","16","21","9240","9254","10.1039/D5SC00432B","","x-ray","0.41","synchrotron","","0.0966","0.0765","","","0.2242","0.2379","","","","","","1.142","","","","has coordinates,has disorder","300674","2025-07-06","14:48:26",""
"1574342","14.455","0.009","5.4916","0.0002","11.591","0.003","90","","112.41","0.05","90","","850.6","0.7","298","2","298","2","1909000","","1909000","","","","","3","P 1 21/c 1","-P 2ybc","14","","trans-azobenzene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Agati, Milo; Romi, Sebastiano; Fanetti, Samuele; Radacki, Krzysztof; Hanfland, Michael; Braunschweig, Holger; Marder, Todd B.; Clark, Stewart J.; Friedrich, Alexandra; Bini, Roberto","Insights into topochemical versus stress-induced high-pressure reactivity of azobenzene by single crystal X-ray diffraction","Chemical Science","2025","16","21","9240","9254","10.1039/D5SC00432B","","x-ray","0.41","synchrotron","","0.0644","0.0559","","","0.1582","0.166","","","","","","1.059","","","","has coordinates,has disorder","300674","2025-07-06","14:48:26",""
"1574343","13.319","0.009","5.18","0.0002","10.928","0.003","90","","112.91","0.05","90","","694.5","0.6","298","2","298","2","10070000","","10070000","","","","","3","P 1 21/c 1","-P 2ybc","14","","trans-azobenzene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Agati, Milo; Romi, Sebastiano; Fanetti, Samuele; Radacki, Krzysztof; Hanfland, Michael; Braunschweig, Holger; Marder, Todd B.; Clark, Stewart J.; Friedrich, Alexandra; Bini, Roberto","Insights into topochemical versus stress-induced high-pressure reactivity of azobenzene by single crystal X-ray diffraction","Chemical Science","2025","16","21","9240","9254","10.1039/D5SC00432B","","x-ray","0.41","synchrotron","","0.0721","0.0644","","","0.1757","0.1822","","","","","","1.066","","","","has coordinates,has disorder","300674","2025-07-06","14:48:26",""
"1574344","12.32","0.02","5.4498","0.0007","10.697","0.008","90","","114.6","0.15","90","","653","1.4","298","2","298","2","14120000","","14120000","","","","","3","P 1 21/c 1","-P 2ybc","14","","trans-azobenzene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Agati, Milo; Romi, Sebastiano; Fanetti, Samuele; Radacki, Krzysztof; Hanfland, Michael; Braunschweig, Holger; Marder, Todd B.; Clark, Stewart J.; Friedrich, Alexandra; Bini, Roberto","Insights into topochemical versus stress-induced high-pressure reactivity of azobenzene by single crystal X-ray diffraction","Chemical Science","2025","16","21","9240","9254","10.1039/D5SC00432B","","x-ray","0.41","synchrotron","","0.0994","0.081","","","0.2295","0.2453","","","","","","1.025","","","","has coordinates","300674","2025-07-06","14:48:26",""
"1574345","12.23","0.015","5.4789","0.0004","10.62","0.006","90","","114.88","0.11","90","","645.6","1","298","2","298","2","14930000","","14930000","","","","","3","P 1 21/c 1","-P 2ybc","14","","trans-azobenzene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Agati, Milo; Romi, Sebastiano; Fanetti, Samuele; Radacki, Krzysztof; Hanfland, Michael; Braunschweig, Holger; Marder, Todd B.; Clark, Stewart J.; Friedrich, Alexandra; Bini, Roberto","Insights into topochemical versus stress-induced high-pressure reactivity of azobenzene by single crystal X-ray diffraction","Chemical Science","2025","16","21","9240","9254","10.1039/D5SC00432B","","x-ray","0.41","synchrotron","","0.0946","0.0847","","","0.2452","0.2566","","","","","","1.116","","","","has coordinates","300674","2025-07-06","14:48:26",""
"1574346","11.918","0.013","5.5121","0.0003","10.502","0.005","90","","115.9","0.09","90","","620.6","0.9","298","2","298","2","18510000","","18510000","","","","","3","P 1 21/c 1","-P 2ybc","14","","trans-azobenzene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Agati, Milo; Romi, Sebastiano; Fanetti, Samuele; Radacki, Krzysztof; Hanfland, Michael; Braunschweig, Holger; Marder, Todd B.; Clark, Stewart J.; Friedrich, Alexandra; Bini, Roberto","Insights into topochemical versus stress-induced high-pressure reactivity of azobenzene by single crystal X-ray diffraction","Chemical Science","2025","16","21","9240","9254","10.1039/D5SC00432B","","x-ray","0.41","synchrotron","","0.0666","0.0606","","","0.1731","0.1788","","","","","","1.119","","","","has coordinates","300674","2025-07-06","14:48:26",""
"1574347","11.882","0.011","5.5101","0.0003","10.49","0.004","90","","116.01","0.09","90","","617.2","0.8","298","2","298","2","18970000","","18970000","","","","","3","P 1 21/c 1","-P 2ybc","14","","trans-azobenzene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Agati, Milo; Romi, Sebastiano; Fanetti, Samuele; Radacki, Krzysztof; Hanfland, Michael; Braunschweig, Holger; Marder, Todd B.; Clark, Stewart J.; Friedrich, Alexandra; Bini, Roberto","Insights into topochemical versus stress-induced high-pressure reactivity of azobenzene by single crystal X-ray diffraction","Chemical Science","2025","16","21","9240","9254","10.1039/D5SC00432B","","x-ray","0.41","synchrotron","","0.0686","0.0628","","","0.1789","0.1848","","","","","","1.097","","","","has coordinates","300674","2025-07-06","14:48:26",""
"1574348","11.945","0.014","5.518","0.0004","10.526","0.005","90","","115.9","0.11","90","","624.1","1","298","2","298","2","17980000","","17980000","","","","","3","P 1 21/c 1","-P 2ybc","14","","trans-azobenzene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Agati, Milo; Romi, Sebastiano; Fanetti, Samuele; Radacki, Krzysztof; Hanfland, Michael; Braunschweig, Holger; Marder, Todd B.; Clark, Stewart J.; Friedrich, Alexandra; Bini, Roberto","Insights into topochemical versus stress-induced high-pressure reactivity of azobenzene by single crystal X-ray diffraction","Chemical Science","2025","16","21","9240","9254","10.1039/D5SC00432B","","x-ray","0.41","synchrotron","","0.0711","0.0628","","","0.1857","0.1949","","","","","","1.132","","","","has coordinates","300674","2025-07-06","14:48:26",""
"1574349","11.814","0.01","5.5065","0.0002","10.466","0.004","90","","116.17","0.08","90","","611.1","0.7","298","2","298","2","20150000","","20150000","","","","","3","P 1 21/c 1","-P 2ybc","14","","trans-azobenzene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Agati, Milo; Romi, Sebastiano; Fanetti, Samuele; Radacki, Krzysztof; Hanfland, Michael; Braunschweig, Holger; Marder, Todd B.; Clark, Stewart J.; Friedrich, Alexandra; Bini, Roberto","Insights into topochemical versus stress-induced high-pressure reactivity of azobenzene by single crystal X-ray diffraction","Chemical Science","2025","16","21","9240","9254","10.1039/D5SC00432B","","x-ray","0.41","synchrotron","","0.0728","0.0662","","","0.1912","0.1983","","","","","","1.103","","","","has coordinates","300674","2025-07-06","14:48:26",""
"1574350","11.979","0.013","5.5148","0.0004","10.53","0.005","90","","115.74","0.1","90","","626.6","0.9","298","2","298","2","17620000","","17620000","","","","","3","P 1 21/c 1","-P 2ybc","14","","trans-azobenzene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Agati, Milo; Romi, Sebastiano; Fanetti, Samuele; Radacki, Krzysztof; Hanfland, Michael; Braunschweig, Holger; Marder, Todd B.; Clark, Stewart J.; Friedrich, Alexandra; Bini, Roberto","Insights into topochemical versus stress-induced high-pressure reactivity of azobenzene by single crystal X-ray diffraction","Chemical Science","2025","16","21","9240","9254","10.1039/D5SC00432B","","x-ray","0.41","synchrotron","","0.0719","0.0624","","","0.1788","0.1867","","","","","","1.102","","","","has coordinates","300674","2025-07-06","14:48:26",""
"1574351","14.547","0.013","5.5258","0.0003","11.659","0.004","90","","112.4","0.07","90","","866.5","0.9","298","2","298","2","1513000","","1513000","","","","","3","P 1 21/c 1","-P 2ybc","14","","trans-azobenzene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Agati, Milo; Romi, Sebastiano; Fanetti, Samuele; Radacki, Krzysztof; Hanfland, Michael; Braunschweig, Holger; Marder, Todd B.; Clark, Stewart J.; Friedrich, Alexandra; Bini, Roberto","Insights into topochemical versus stress-induced high-pressure reactivity of azobenzene by single crystal X-ray diffraction","Chemical Science","2025","16","21","9240","9254","10.1039/D5SC00432B","","x-ray","0.41","synchrotron","","0.0687","0.0586","","","0.1621","0.1708","","","","","","1.071","","","","has coordinates,has disorder","300674","2025-07-06","14:48:26",""
"1574352","11.834","0.01","5.51","0.0003","10.478","0.004","90","","116.14","0.07","90","","613.3","0.7","298","2","298","2","19630000","","19630000","","","","","3","P 1 21/c 1","-P 2ybc","14","","trans-azobenzene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Agati, Milo; Romi, Sebastiano; Fanetti, Samuele; Radacki, Krzysztof; Hanfland, Michael; Braunschweig, Holger; Marder, Todd B.; Clark, Stewart J.; Friedrich, Alexandra; Bini, Roberto","Insights into topochemical versus stress-induced high-pressure reactivity of azobenzene by single crystal X-ray diffraction","Chemical Science","2025","16","21","9240","9254","10.1039/D5SC00432B","","x-ray","0.41","synchrotron","","0.0783","0.0722","","","0.2069","0.213","","","","","","1.115","","","","has coordinates","300674","2025-07-06","14:48:26",""
"1574358","15.0711","0.0003","15.7076","0.0002","17.5064","0.0004","109.325","0.002","108.365","0.002","101.944","0.001","3480.31","0.15","123","0.1","123","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C56 H102 As8 K N2 O9 Ta2 -","- C48 H86 As8 K N2 O7 Ta2 -","- C96 H172 As16 K2 N4 O14 Ta4 -","2","1","","Riesinger, Christoph; Scheer, Manfred","Redox mediated dimerisation of a cyclo-As8 complex","Chemical Science","2025","16","20","8807","8811","10.1039/D5SC01685A","","x-ray","1.54184","CuKα","","0.0569","0.0517","","","0.1494","0.1536","","","","","","1.127","","","","has coordinates","300629","2025-07-06","14:28:52",""
"1574359","24.4761","0.0003","36.8173","0.0005","28.1239","0.0003","90","","100.641","0.001","90","","24907.9","0.5","123","0.1","123","0.1","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C88.5 H90 Al As12.5 F49.5 O3 Sb0.5 Ta3 -","- C76.5 H64 Al As12.5 F49.5 O3 Sb0.5 Ta3 -","- C612 H512 Al8 As100 F396 O24 Sb4 Ta24 -","8","1","","Riesinger, Christoph; Scheer, Manfred","Redox mediated dimerisation of a cyclo-As8 complex","Chemical Science","2025","16","20","8807","8811","10.1039/D5SC01685A","","x-ray","1.54184","CuKα","","0.0603","0.0558","","","0.1491","0.154","","","","","","1.04","","","","has coordinates,has disorder","300629","2025-07-06","14:28:53",""
"1574360","11.4386","0.0002","18.7072","0.0004","19.1356","0.0005","63.108","0.002","88.564","0.002","76.688","0.002","3539.01","0.15","123","0.1","123","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C50.5 H52 Al As7.09 F38 O4 Ta2 -","- C42 H42 Al As7.0878 F36 O4 Ta2 -","- C84 H84 Al2 As14.1756 F72 O8 Ta4 -","2","1","","Riesinger, Christoph; Scheer, Manfred","Redox mediated dimerisation of a cyclo-As8 complex","Chemical Science","2025","16","20","8807","8811","10.1039/D5SC01685A","","x-ray","0.71073","MoKα","","0.1135","0.0651","","","0.1529","0.1735","","","","","","1.015","","","","has coordinates,has disorder","300629","2025-07-06","14:28:53",""
"1574361","14.7673","0.0005","16.6167","0.0007","20.5716","0.0008","71.702","0.003","89.043","0.003","88.782","0.003","4791.3","0.3","200","","200","","","","","","","","","4","P -1","-P 1","2","","","","- C118 H104 N6 O14 -","- C118 H104 N6 O14 -","- C236 H208 N12 O28 -","2","1","","D'Addio, Adriano; Kroonen, Camiel C. E.; Fuhr, Olaf; Fenske, Dieter; Häussinger, Daniel; Mayor, Marcel","Series of Geländer oligomers with orthogonal rungs","Chemical Science","2025","16","18","8092","8098","10.1039/D4SC08179J","","x-ray","1.34143","GaKα","","0.1119","0.0811","","","0.2404","0.2587","","","","","","1.071","","","","has coordinates,has disorder","300642","2025-07-06","14:35:09",""
"1574362","7.7868","0.0001","10.9259","0.0002","21.3967","0.0004","90","","90","","90","","1820.38","0.05","220","","220","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H24 O2 -","- C22 H24 O2 -","- C88 H96 O8 -","4","1","","Ke, Miaolin; Zheng, Jinying; Zong, Jiayi; Tang, Keshuang; Wang, Jiahao; Zheng, Guohui; Zhang, Boxuan; Cheng, Dang; Ju, Zhiran; Chen, Fener","Enantioselective [5 + 1] cycloaddition of sulfur ylides and vinylethylene carbonates via synergistic palladium/chiral phosphonic acid catalysis","Chemical Science","2025","16","18","8108","8113","10.1039/D5SC01050K","","x-ray","1.54178","CuKα","","0.096","0.0739","","","0.1845","0.2207","","","","","","1.086","","","","has coordinates","300646","2025-07-06","14:36:31",""
"1574363","8.7571","0.0001","19.7605","0.0002","11.2657","0.0001","90","","105.491","0.001","90","","1878.65","0.03","100","0.1","100","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H24 O6 -","- C21 H24 O6 -","- C84 H96 O24 -","4","1","","Ding, Yiming; Long, Xianwen; Zhang, Jingwei; Qu, Chunlei; Wang, Peng; Yang, Xiaodong; Puno, Pema-Tenzin; Deng, Jun","Asymmetric total synthesis of penicilfuranone A through an NHC-catalyzed umpolung strategy","Chemical Science","2025","16","19","8302","8308","10.1039/D5SC01508A","","x-ray","1.54184","CuKα","","0.0446","0.0442","","","0.1075","0.1078","","","","","","1.06","","","","has coordinates","300593","2025-07-06","14:12:05",""
"1574364","8.707","0.0001","19.1093","0.0002","11.7941","0.0001","90","","92.103","0.001","90","","1961.04","0.03","100","0.1","100","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H24 O6 -","- C21 H24 O6 -","- C84 H96 O24 -","4","1","","Ding, Yiming; Long, Xianwen; Zhang, Jingwei; Qu, Chunlei; Wang, Peng; Yang, Xiaodong; Puno, Pema-Tenzin; Deng, Jun","Asymmetric total synthesis of penicilfuranone A through an NHC-catalyzed umpolung strategy","Chemical Science","2025","16","19","8302","8308","10.1039/D5SC01508A","","x-ray","1.54184","CuKα","","0.0374","0.0359","","","0.0934","0.0947","","","","","","1.064","","","","has coordinates","300593","2025-07-06","14:12:05",""
"1574365","8.9343","0.0002","19.9249","0.0005","11.1682","0.0004","90","","106.262","0.003","90","","1908.57","0.1","104","7","104","7","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H24 O6 -","- C21 H24 O6 -","- C84 H96 O24 -","4","1","","Ding, Yiming; Long, Xianwen; Zhang, Jingwei; Qu, Chunlei; Wang, Peng; Yang, Xiaodong; Puno, Pema-Tenzin; Deng, Jun","Asymmetric total synthesis of penicilfuranone A through an NHC-catalyzed umpolung strategy","Chemical Science","2025","16","19","8302","8308","10.1039/D5SC01508A","","x-ray","0.71073","MoKα","","0.0728","0.0501","","","0.1454","0.1602","","","","","","1.014","","","","has coordinates","300593","2025-07-06","14:12:05",""
"1574366","12.6866","0.0006","15.4013","0.0007","22.1817","0.001","90","","90","","90","","4334.1","0.3","99.9","0.4","99.9","0.4","","","","","","","","6","I b c a","-I 2b 2c","73","","","","- C17 H17 Au2 Fe N7 O -","- C17 H17 Au2 Fe N7 O -","- C136 H136 Au16 Fe8 N56 O8 -","8","0.5","","Wu, Si-Guo; Cui, Wen; Ruan, Ze-Yu; Ni, Zhao-Ping; Tong, Ming-Liang","Switchable colossal anisotropic thermal expansion in a spin crossover framework","Chemical Science","2025","16","20","8845","8852","10.1039/D4SC08032G","","x-ray","0.71073","MoKα","","0.0534","0.0367","","","0.0696","0.0738","","","","","","1.093","","","","has coordinates,has disorder","300630","2025-07-06","14:29:51",""
"1574367","12.1277","0.0002","16.8526","0.0002","22.9813","0.0003","90","","90","","90","","4696.99","0.11","300","2","300","2","","","","","","","","6","I b c a","-I 2b 2c","73","","","","- C18 H19 Au2 Fe N7 O -","- C18 H19 Au2 Fe N7 O -","- C144 H152 Au16 Fe8 N56 O8 -","8","0.5","","Wu, Si-Guo; Cui, Wen; Ruan, Ze-Yu; Ni, Zhao-Ping; Tong, Ming-Liang","Switchable colossal anisotropic thermal expansion in a spin crossover framework","Chemical Science","2025","16","20","8845","8852","10.1039/D4SC08032G","","","1.54178","CuKα","","0.0369","0.0357","","","0.0928","0.0936","","","","","","1.178","","","","has coordinates,has disorder","300630","2025-07-06","14:29:51",""
"1574368","12.7477","0.0006","15.3811","0.0009","22.2404","0.001","90","","90","","90","","4360.8","0.4","225","0.1","225","0.1","","","","","","","","6","I b c a","-I 2b 2c","73","","","","- C17 H17 Au2 Fe N7 O -","- C17 H17 Au2 Fe N7 O -","- C136 H136 Au16 Fe8 N56 O8 -","8","0.5","","Wu, Si-Guo; Cui, Wen; Ruan, Ze-Yu; Ni, Zhao-Ping; Tong, Ming-Liang","Switchable colossal anisotropic thermal expansion in a spin crossover framework","Chemical Science","2025","16","20","8845","8852","10.1039/D4SC08032G","","x-ray","1.54184","CuKα","","0.0734","0.0608","","","0.1644","0.174","","","","","","1.13","","","","has coordinates,has disorder","300630","2025-07-06","14:29:51",""
"1574369","11.5562","0.0004","17.2475","0.0007","22.9494","0.0006","90","","90","","90","","4574.2","0.3","224.98","0.1","224.98","0.1","","","","","","","","6","I b c a","-I 2b 2c","73","","","","- C17 H17 Au2 Fe N7 O -","- C17 H17 Au2 Fe N7 O -","- C136 H136 Au16 Fe8 N56 O8 -","8","0.5","","Wu, Si-Guo; Cui, Wen; Ruan, Ze-Yu; Ni, Zhao-Ping; Tong, Ming-Liang","Switchable colossal anisotropic thermal expansion in a spin crossover framework","Chemical Science","2025","16","20","8845","8852","10.1039/D4SC08032G","","x-ray","1.54184","CuKα","","0.0364","0.0344","","","0.0965","0.0979","","","","","","1.127","","","","has coordinates,has disorder","300630","2025-07-06","14:29:51",""
"1574370","11.96862","0.0002","16.947","0.0003","22.7781","0.0003","90","","90","","90","","4620.13","0.13","299.99","0.1","299.99","0.1","","","","","","","","6","I b c a","-I 2b 2c","73","","","","- C17 H17 Au2 N7 O Zn -","- C17 H17 Au2 N7 O Zn -","- C136 H136 Au16 N56 O8 Zn8 -","8","0.5","","Wu, Si-Guo; Cui, Wen; Ruan, Ze-Yu; Ni, Zhao-Ping; Tong, Ming-Liang","Switchable colossal anisotropic thermal expansion in a spin crossover framework","Chemical Science","2025","16","20","8845","8852","10.1039/D4SC08032G","","x-ray","1.54184","CuKα","","0.0497","0.0448","","","0.1174","0.1199","","","","","","1.184","","","","has coordinates,has disorder","300630","2025-07-06","14:29:51",""
"1574371","11.8527","0.0007","17.0385","0.0011","22.9573","0.0016","90","","90","","90","","4636.3","0.5","298","","298","","","","","","","","","6","I b c a","-I 2b 2c","73","","","","- C17 H17 Au2 Fe N7 O -","- C17 H17 Au2 Fe N7 O -","- C136 H136 Au16 Fe8 N56 O8 -","8","0.5","","Wu, Si-Guo; Cui, Wen; Ruan, Ze-Yu; Ni, Zhao-Ping; Tong, Ming-Liang","Switchable colossal anisotropic thermal expansion in a spin crossover framework","Chemical Science","2025","16","20","8845","8852","10.1039/D4SC08032G","","","0.71073","MoKα","","0.0464","0.0299","","","0.0529","0.0566","","","","","","1.198","","","","has coordinates,has disorder","300630","2025-07-06","14:29:51",""
"1574372","12.465","0.007","15.754","0.007","22.263","0.019","90","","90","","90","","4372","5","120.01","","120.01","","","","","","","","","6","I b c a","-I 2b 2c","73","","","","- C18 H19 Au2 Fe N7 O -","- C18 H19 Au2 Fe N7 O -","- C144 H152 Au16 Fe8 N56 O8 -","8","0.5","","Wu, Si-Guo; Cui, Wen; Ruan, Ze-Yu; Ni, Zhao-Ping; Tong, Ming-Liang","Switchable colossal anisotropic thermal expansion in a spin crossover framework","Chemical Science","2025","16","20","8845","8852","10.1039/D4SC08032G","","","0.71073","MoKα","","0.0601","0.048","","","0.1054","0.114","","","","","","1.079","","","","has coordinates,has disorder","300630","2025-07-06","14:29:51",""
"1574373","11.2926","0.0009","17.4255","0.0014","22.7813","0.0019","90","","90","","90","","4482.9","0.6","103","","103","","","","","","","","","6","I b c a","-I 2b 2c","73","","","","- C17 H17 Au2 N7 O Zn -","- C17 H17 Au2 N7 O Zn -","- C136 H136 Au16 N56 O8 Zn8 -","8","0.5","","Wu, Si-Guo; Cui, Wen; Ruan, Ze-Yu; Ni, Zhao-Ping; Tong, Ming-Liang","Switchable colossal anisotropic thermal expansion in a spin crossover framework","Chemical Science","2025","16","20","8845","8852","10.1039/D4SC08032G","","","0.71073","MoKα","","0.0426","0.0304","","","0.0704","0.0756","","","","","","1.056","","","","has coordinates,has disorder","300630","2025-07-06","14:29:51",""
"1574374","4.9904","0.0001","10.6896","0.0002","16.6446","0.0003","90","","94.504","0.002","90","","885.17","0.03","293","2","293.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H20 N2 O4 S -","- C17 H20 N2 O4 S -","- C34 H40 N4 O8 S2 -","2","1","","Guo, Cui-Mei; Zhang, Fang-Yuan; Tian, Yin; Xie, Ming-Sheng; Guo, Hai-Ming","Pyridine-N-oxide catalyzed asymmetric N-acylative desymmetrization of sulfonimidamides","Chemical Science","2025","16","20","8812","8819","10.1039/D5SC01270H","","x-ray","1.54184","CuKα","","0.0568","0.0455","","","0.1191","0.122","","","","","","1.042","","","","has coordinates","300626","2025-07-06","14:27:41",""
"1574376","13.1473","0.0013","6.2052","0.0005","18.1878","0.0017","90","","106.936","0.01","90","","1419.4","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 F N3 -","- C17 H14 F N3 -","- C68 H56 F4 N12 -","4","1","","Gao, Chi; Liu, Yang; Li, Cheng-Sheng; Guo, He; Wang, Sheng-Han; Xu, Cong; Wang, Mang","O-Trifluoromethylation of ketones: an alternative straightforward route to alkenyl trifluoromethyl ethers","Chemical Science","2025","16","19","8561","8568","10.1039/D5SC01073J","","x-ray","0.71073","MoKα","","0.1131","0.0601","","","0.1354","0.1725","","","","","","1.025","","","","has coordinates","300595","2025-07-06","14:12:45",""
"1574377","11.7028","0.0006","5.5202","0.0002","33.5271","0.0014","90","","94.414","0.002","90","","2159.49","0.16","300","2","300","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H21 F3 O -","- C28 H21 F3 O -","- C112 H84 F12 O4 -","4","1","","Gao, Chi; Liu, Yang; Li, Cheng-Sheng; Guo, He; Wang, Sheng-Han; Xu, Cong; Wang, Mang","O-Trifluoromethylation of ketones: an alternative straightforward route to alkenyl trifluoromethyl ethers","Chemical Science","2025","16","19","8561","8568","10.1039/D5SC01073J","","","0.71073","MoKα","","0.066","0.0484","","","0.1331","0.1538","","","","","","1.036","","","","has coordinates,has disorder","300595","2025-07-06","14:12:46",""
"1574378","7.4537","0.0004","14.2418","0.0007","15.4069","0.0006","90","","91.025","0.002","90","","1635.24","0.13","150","2","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H17 Cl3 N4 Zn -","- C12 H17 Cl3 N4 Zn -","- C48 H68 Cl12 N16 Zn4 -","4","1","","Cui, Yibo; Lin, Jiawei; Liu, Kunjie; Shao, Yuhe; Zhao, Dong; Guo, Zhongnan; Zhao, Jing; Xia, Zhiguo; Liu, Quanlin","Tuning covalent bonding in zinc-based hybrid halides towards tunable room-temperature phosphorescence","Chemical Science","2025","16","19","8291","8301","10.1039/D5SC00931F","","","0.71073","MoKα","","0.0484","0.0384","","","0.0889","0.0949","","","","","","1.123","","","","has coordinates","300592","2025-07-06","14:11:40",""
"1574379","9.909","0.002","63.672","0.016","6.3765","0.0015","90","","127.717","0.007","90","","3182.4","1.3","150","2","150.15","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C6 H9.01 Cl3 N2 Zn1.01 -","- C6 H9.014 Cl3 N2.00433 Zn1.00633 -","- C72 H108.168 Cl36 N24.052 Zn12.076 -","12","3","","Cui, Yibo; Lin, Jiawei; Liu, Kunjie; Shao, Yuhe; Zhao, Dong; Guo, Zhongnan; Zhao, Jing; Xia, Zhiguo; Liu, Quanlin","Tuning covalent bonding in zinc-based hybrid halides towards tunable room-temperature phosphorescence","Chemical Science","2025","16","19","8291","8301","10.1039/D5SC00931F","","","0.71073","MoKα","","0.1208","0.0546","","","0.1048","0.1348","","","","","","1.019","","","","has coordinates,has disorder","300592","2025-07-06","14:11:42",""
"1574380","7.7054","0.0002","12.3265","0.0003","12.5814","0.0003","90","","92.11","0.001","90","","1194.18","0.05","150","2","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H11 Br3 N2 Zn -","- C7 H11 Br3 N2 Zn -","- C28 H44 Br12 N8 Zn4 -","4","1","","Cui, Yibo; Lin, Jiawei; Liu, Kunjie; Shao, Yuhe; Zhao, Dong; Guo, Zhongnan; Zhao, Jing; Xia, Zhiguo; Liu, Quanlin","Tuning covalent bonding in zinc-based hybrid halides towards tunable room-temperature phosphorescence","Chemical Science","2025","16","19","8291","8301","10.1039/D5SC00931F","","","0.71073","MoKα","","0.0369","0.0243","","","0.0497","0.0535","","","","","","1.067","","","","has coordinates","300592","2025-07-06","14:11:51",""
"1574381","9.5132","0.0005","14.134","0.0006","10.4282","0.0004","90","","104.052","0.001","90","","1360.21","0.11","150","2","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H12 Br4 N2 Zn -","- C7 H12 Br4 N2 Zn -","- C28 H48 Br16 N8 Zn4 -","4","1","","Cui, Yibo; Lin, Jiawei; Liu, Kunjie; Shao, Yuhe; Zhao, Dong; Guo, Zhongnan; Zhao, Jing; Xia, Zhiguo; Liu, Quanlin","Tuning covalent bonding in zinc-based hybrid halides towards tunable room-temperature phosphorescence","Chemical Science","2025","16","19","8291","8301","10.1039/D5SC00931F","","","0.71073","MoKα","","0.0508","0.0284","","","0.0525","0.0588","","","","","","1.002","","","","has coordinates","300592","2025-07-06","14:11:51",""
"1574382","14.4961","0.0006","7.8886","0.0004","16.379","0.0008","90","","93.194","0.002","90","","1870.09","0.15","150","2","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H18 Br4 N4 Zn -","- C12 H18 Br4 N4 Zn -","- C48 H72 Br16 N16 Zn4 -","4","0.5","","Cui, Yibo; Lin, Jiawei; Liu, Kunjie; Shao, Yuhe; Zhao, Dong; Guo, Zhongnan; Zhao, Jing; Xia, Zhiguo; Liu, Quanlin","Tuning covalent bonding in zinc-based hybrid halides towards tunable room-temperature phosphorescence","Chemical Science","2025","16","19","8291","8301","10.1039/D5SC00931F","","","0.71073","MoKα","","0.0324","0.0219","","","0.0496","0.0533","","","","","","1.038","","","","has coordinates","300592","2025-07-06","14:11:51",""
"1574383","8.0104","0.0002","11.5319","0.0004","13.8196","0.0004","90","","105.667","0.001","90","","1229.16","0.06","150","2","150.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H13 Cl3 N2 Zn -","- C8 H13 Cl3 N2 Zn -","- C32 H52 Cl12 N8 Zn4 -","4","1","","Cui, Yibo; Lin, Jiawei; Liu, Kunjie; Shao, Yuhe; Zhao, Dong; Guo, Zhongnan; Zhao, Jing; Xia, Zhiguo; Liu, Quanlin","Tuning covalent bonding in zinc-based hybrid halides towards tunable room-temperature phosphorescence","Chemical Science","2025","16","19","8291","8301","10.1039/D5SC00931F","","","0.71073","MoKα","","0.065","0.0351","","","0.0565","0.0656","","","","","","1.048","","","","has coordinates","300592","2025-07-06","14:11:51",""
"1574384","9.3199","0.0004","13.5559","0.0006","10.0752","0.0004","90","","105.093","0.002","90","","1228.99","0.09","150","2","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H12 Cl4 N2 Zn -","- C7 H12 Cl4 N2 Zn -","- C28 H48 Cl16 N8 Zn4 -","4","1","","Cui, Yibo; Lin, Jiawei; Liu, Kunjie; Shao, Yuhe; Zhao, Dong; Guo, Zhongnan; Zhao, Jing; Xia, Zhiguo; Liu, Quanlin","Tuning covalent bonding in zinc-based hybrid halides towards tunable room-temperature phosphorescence","Chemical Science","2025","16","19","8291","8301","10.1039/D5SC00931F","","","0.71073","MoKα","","0.0301","0.0218","","","0.0504","0.0533","","","","","","1.053","","","","has coordinates","300592","2025-07-06","14:11:51",""
"1574385","7.4173","0.0002","12.0708","0.0004","12.3184","0.0003","90","","92.933","0.001","90","","1101.46","0.05","150","2","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H11 Cl3 N2 Zn -","- C7 H11 Cl3 N2 Zn -","- C28 H44 Cl12 N8 Zn4 -","4","1","","Cui, Yibo; Lin, Jiawei; Liu, Kunjie; Shao, Yuhe; Zhao, Dong; Guo, Zhongnan; Zhao, Jing; Xia, Zhiguo; Liu, Quanlin","Tuning covalent bonding in zinc-based hybrid halides towards tunable room-temperature phosphorescence","Chemical Science","2025","16","19","8291","8301","10.1039/D5SC00931F","","","0.71073","MoKα","","0.0267","0.0218","","","0.0505","0.0521","","","","","","1.078","","","","has coordinates","300592","2025-07-06","14:11:51",""
"1574386","11.5216","0.0004","9.1377","0.0003","13.3073","0.0004","90","","101.747","0.001","90","","1371.66","0.08","150","2","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H14 Cl4 N2 Zn -","- C8 H14 Cl4 N2 Zn -","- C32 H56 Cl16 N8 Zn4 -","4","1","","Cui, Yibo; Lin, Jiawei; Liu, Kunjie; Shao, Yuhe; Zhao, Dong; Guo, Zhongnan; Zhao, Jing; Xia, Zhiguo; Liu, Quanlin","Tuning covalent bonding in zinc-based hybrid halides towards tunable room-temperature phosphorescence","Chemical Science","2025","16","19","8291","8301","10.1039/D5SC00931F","","","0.71073","MoKα","","0.0388","0.0248","","","0.0517","0.056","","","","","","1.04","","","","has coordinates","300592","2025-07-06","14:11:51",""
"1574387","25.8746","0.0008","7.9515","0.0003","13.9583","0.0005","90","","93.801","0.001","90","","2865.49","0.17","150","2","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","C8H13Br4N2Zn","","- C8 H14 Br4 N2 Zn -","- C8 H14 Br4 N2 Zn -","- C64 H112 Br32 N16 Zn8 -","8","1","","Cui, Yibo; Lin, Jiawei; Liu, Kunjie; Shao, Yuhe; Zhao, Dong; Guo, Zhongnan; Zhao, Jing; Xia, Zhiguo; Liu, Quanlin","Tuning covalent bonding in zinc-based hybrid halides towards tunable room-temperature phosphorescence","Chemical Science","2025","16","19","8291","8301","10.1039/D5SC00931F","","","0.71073","MoKα","","0.0386","0.024","","","0.0489","0.0532","","","","","","1.002","","","","has coordinates","300592","2025-07-06","14:11:51",""
"1574388","8.2015","0.0003","11.6705","0.0004","13.9617","0.0004","90","","104.989","0.001","90","","1290.88","0.07","150","2","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H13 Br3 N2 Zn -","- C8 H13 Br3 N2 Zn -","- C32 H52 Br12 N8 Zn4 -","4","1","","Cui, Yibo; Lin, Jiawei; Liu, Kunjie; Shao, Yuhe; Zhao, Dong; Guo, Zhongnan; Zhao, Jing; Xia, Zhiguo; Liu, Quanlin","Tuning covalent bonding in zinc-based hybrid halides towards tunable room-temperature phosphorescence","Chemical Science","2025","16","19","8291","8301","10.1039/D5SC00931F","","","0.71073","MoKα","","0.0466","0.04","","","0.1157","0.1214","","","","","","1.1","","","","has coordinates","300592","2025-07-06","14:11:52",""
"1574389","9.057","0.0003","9.1234","0.0002","18.0236","0.0004","90","","97.553","0.002","90","","1476.38","0.07","100.15","","100.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","Bis[2-{4-methylpyrazol-1-yl}-6-{pyrazol-1-yl}pyridine]iron(II)di(perchlorate)","","- C24 H22 Cl2 Fe N10 O8 -","- C24 H22 Cl2 Fe N10 O8 -","- C48 H44 Cl4 Fe2 N20 O16 -","2","1","","Sephton, Holly E.; Watson, Rhiannon L.; Shahid, Namrah; Vasili, Hari Babu; Baker, Daniel L.; Saha, Dipankar; Capel Berdiell, Izar; Pask, Christopher M.; Cespedes, Oscar; Halcrow, Malcolm A.","The impact of whole-molecule disorder on spin-crossover in a family of isomorphous molecular crystals","Chemical Science","2025","16","21","9203","9212","10.1039/D5SC00090D","","","0.6889","synchrotron","","0.0807","0.056","","","0.1542","0.169","","","","","","1.033","","","","has coordinates,has disorder","300671","2025-07-06","14:47:28",""
"1574390","9.5177","0.0012","9.3657","0.0013","16.524","0.003","90","","93.848","0.013","90","","1469.6","0.4","100.15","","100.15","","","","","","","","","7","P 1 21 1","P 2yb","4","","Bis[2-{4-bromopyrazol-1-yl}-6-{pyrazol-1-yl}pyridine]iron(II)di(tetrafluoroborate)","","- C22 H16 B2 Br2 F8 Fe N10 -","- C22 H16 B2 Br2 F8 Fe N10 -","- C44 H32 B4 Br4 F16 Fe2 N20 -","2","1","","Sephton, Holly E.; Watson, Rhiannon L.; Shahid, Namrah; Vasili, Hari Babu; Baker, Daniel L.; Saha, Dipankar; Capel Berdiell, Izar; Pask, Christopher M.; Cespedes, Oscar; Halcrow, Malcolm A.","The impact of whole-molecule disorder on spin-crossover in a family of isomorphous molecular crystals","Chemical Science","2025","16","21","9203","9212","10.1039/D5SC00090D","","","0.6889","synchrotron","","0.0969","0.0502","","","0.1009","0.1075","","","","","","0.765","","","","has coordinates,has disorder","300671","2025-07-06","14:47:28",""
"1574391","9.1111","0.0002","9.1607","0.0002","18.1574","0.0003","90","","97.194","0.002","90","","1503.56","0.05","220.15","","220.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","Bis[2-{4-methylpyrazol-1-yl}-6-{pyrazol-1-yl}pyridine]iron(II)di(perchlorate)","","- C24 H22 Cl2 Fe N10 O8 -","- C24 H22 Cl2 Fe N10 O8 -","- C48 H44 Cl4 Fe2 N20 O16 -","2","1","","Sephton, Holly E.; Watson, Rhiannon L.; Shahid, Namrah; Vasili, Hari Babu; Baker, Daniel L.; Saha, Dipankar; Capel Berdiell, Izar; Pask, Christopher M.; Cespedes, Oscar; Halcrow, Malcolm A.","The impact of whole-molecule disorder on spin-crossover in a family of isomorphous molecular crystals","Chemical Science","2025","16","21","9203","9212","10.1039/D5SC00090D","","","0.6889","synchrotron","","0.0919","0.0554","","","0.1571","0.1776","","","","","","0.911","","","","has coordinates,has disorder","300671","2025-07-06","14:47:28",""
"1574392","9.0949","0.001","9.0814","0.0007","18.745","0.0014","90","","93.755","0.007","90","","1544.9","0.2","300.15","","300.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","Bis[2-{4-methylpyrazol-1-yl}-6-{pyrazol-1-yl}pyridine]iron(II)di(perchlorate)","","- C24 H22 Cl2 Fe N10 O8 -","- C24 H22 Cl2 Fe N10 O8 -","- C48 H44 Cl4 Fe2 N20 O16 -","2","1","","Sephton, Holly E.; Watson, Rhiannon L.; Shahid, Namrah; Vasili, Hari Babu; Baker, Daniel L.; Saha, Dipankar; Capel Berdiell, Izar; Pask, Christopher M.; Cespedes, Oscar; Halcrow, Malcolm A.","The impact of whole-molecule disorder on spin-crossover in a family of isomorphous molecular crystals","Chemical Science","2025","16","21","9203","9212","10.1039/D5SC00090D","","","0.6889","synchrotron","","0.1173","0.0719","","","0.2136","0.2419","","","","","","0.861","","","","has coordinates,has disorder","300671","2025-07-06","14:47:28",""
"1574393","9.0959","0.0002","9.1543","0.0002","18.09","0.0003","90","","97.453","0.002","90","","1493.57","0.05","180.15","","180.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","Bis[2-{4-methylpyrazol-1-yl}-6-{pyrazol-1-yl}pyridine]iron(II)diperchlorate","","- C24 H22 Cl2 Fe N10 O8 -","- C24 H22 Cl2 Fe N10 O8 -","- C48 H44 Cl4 Fe2 N20 O16 -","2","1","","Sephton, Holly E.; Watson, Rhiannon L.; Shahid, Namrah; Vasili, Hari Babu; Baker, Daniel L.; Saha, Dipankar; Capel Berdiell, Izar; Pask, Christopher M.; Cespedes, Oscar; Halcrow, Malcolm A.","The impact of whole-molecule disorder on spin-crossover in a family of isomorphous molecular crystals","Chemical Science","2025","16","21","9203","9212","10.1039/D5SC00090D","","","0.6889","synchrotron","","0.0853","0.0531","","","0.1475","0.1645","","","","","","0.914","","","","has coordinates,has disorder","300671","2025-07-06","14:47:28",""
"1574397","20.8136","0.0018","6.0124","0.0004","21.4653","0.0018","90","","116.226","0.01","90","","2409.6","0.4","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","21","","- C58 H54 Cl6 -","- C58 H54 Cl6 -","- C116 H108 Cl12 -","2","0.5","","Erchinger, Johannes E.; Okumura, Tsubasa; Nakata, Kanami; Shimizu, Daisuke; Daniliuc, Constanstin G.; Amaike, Kazuma; Glorius, Frank; Itami, Kenichiro; Ito, Hideto","Functionalization and solubilization of polycyclic aromatic compounds by sulfoniumization","Chemical Science","2025","16","19","8262","8267","10.1039/D5SC01415H","","x-ray","0.71073","MoKα","","0.1094","0.0735","","","0.2135","0.2358","","","","","","1.075","","","","has coordinates,has disorder","300601","2025-07-06","14:14:24",""
"1574398","10.3623","0.0003","10.749","0.0003","11.4494","0.0003","65.158","0.001","86.14","0.001","73.882","0.001","1110.01","0.05","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H17 B Cl2 F4 S2 -","- C23 H17 B Cl2 F4 S2 -","- C46 H34 B2 Cl4 F8 S4 -","2","1","","Erchinger, Johannes E.; Okumura, Tsubasa; Nakata, Kanami; Shimizu, Daisuke; Daniliuc, Constanstin G.; Amaike, Kazuma; Glorius, Frank; Itami, Kenichiro; Ito, Hideto","Functionalization and solubilization of polycyclic aromatic compounds by sulfoniumization","Chemical Science","2025","16","19","8262","8267","10.1039/D5SC01415H","","single crystal","0.71073","MoKα","","0.0457","0.0424","","","0.1184","0.1217","","","","","","1.054","","","","has coordinates,has disorder","300601","2025-07-06","14:14:25",""
"1574399","15.1406","0.0008","10.3948","0.0005","32.4934","0.0017","90","","100.849","0.002","90","","5022.5","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H19 B F4 S2 -","- C28 H19 B F4 S2 -","- C224 H152 B8 F32 S16 -","8","1","","Erchinger, Johannes E.; Okumura, Tsubasa; Nakata, Kanami; Shimizu, Daisuke; Daniliuc, Constanstin G.; Amaike, Kazuma; Glorius, Frank; Itami, Kenichiro; Ito, Hideto","Functionalization and solubilization of polycyclic aromatic compounds by sulfoniumization","Chemical Science","2025","16","19","8262","8267","10.1039/D5SC01415H","","x-ray","0.71073","MoKα","","0.0372","0.0337","","","0.0862","0.0885","","","","","","1.038","","","","has coordinates,has disorder","300601","2025-07-06","14:14:25",""
"1574400","10.6757","0.0006","15.4534","0.0007","11.9779","0.0007","90","","109.437","0.002","90","","1863.44","0.17","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H15 B F4 S2 -","- C22 H15 B F4 S2 -","- C88 H60 B4 F16 S8 -","4","1","","Erchinger, Johannes E.; Okumura, Tsubasa; Nakata, Kanami; Shimizu, Daisuke; Daniliuc, Constanstin G.; Amaike, Kazuma; Glorius, Frank; Itami, Kenichiro; Ito, Hideto","Functionalization and solubilization of polycyclic aromatic compounds by sulfoniumization","Chemical Science","2025","16","19","8262","8267","10.1039/D5SC01415H","","x-ray","0.71073","MoKα","","0.0413","0.0325","","","0.0811","0.0874","","","","","","1.013","","","","has coordinates","300601","2025-07-06","14:14:25",""
"1574401","8.083","0.0004","11.2048","0.0006","18.8269","0.0008","90","","90","","90","","1705.12","0.14","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","NMes-OO","","","- C17 H20 N2 O4 S -","- C17 H20 N2 O4 S -","- C68 H80 N8 O16 S4 -","4","1","","Jung, Eunsong; Rizzo, Antonio; Ryu, Hanseul; Cho, Minyoung; Choi, Tae-Lim","Controlled polymerization of levoglucosenone-derived enynes to give bio-based polymers with tunable degradation rates and high glass transition temperatures","Chemical Science","2025","16","19","8435","8442","10.1039/D5SC00630A","","","0.71073","MoKα","","0.0412","0.038","","","0.098","0.1001","","","","","","1.031","","","","has coordinates","300597","2025-07-06","14:13:14",""
"1574402","8.4134","0.0006","14.6866","0.0011","18.7432","0.0013","90","","90","","90","","2316","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","NTs-ONTs","","","- C23 H24 N2 O5 S2 -","- C23 H24 N2 O5 S2 -","- C92 H96 N8 O20 S8 -","4","1","","Jung, Eunsong; Rizzo, Antonio; Ryu, Hanseul; Cho, Minyoung; Choi, Tae-Lim","Controlled polymerization of levoglucosenone-derived enynes to give bio-based polymers with tunable degradation rates and high glass transition temperatures","Chemical Science","2025","16","19","8435","8442","10.1039/D5SC00630A","","","0.71073","MoKα","","0.0376","0.0338","","","0.0822","0.084","","","","","","1.097","","","","has coordinates","300597","2025-07-06","14:13:15",""
"1574403","6.1916","0.0008","7.5616","0.0009","27.676","0.003","90","","90","","90","","1295.7","0.3","100","0.2","100","0.2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1S,2S)-2-(4-(benzyloxy)phenyl)cyclopropane-1-carbonitrile","","- C17 H15 N O -","- C17 H15 N O -","- C68 H60 N4 O4 -","4","1","","Tan, Hao-Chong; Shing, Ka-Pan; Wang, Hua-Hua; Liu, Yungen; Che, Chi-Ming","Chiral iron porphyrin (+)-D4-(por)FeCl catalyzes highly enantioselective cyclopropanation of alkenes using in situ generated diazoacetonitrile with up to 35 000 product turnover","Chemical Science","2025","16","17","7191","7202","10.1039/D5SC00461F","","x-ray","1.34138","GaKα","","0.0439","0.0425","","","0.1111","0.1119","","","","","","1.039","","","","has coordinates","300588","2025-07-06","14:10:32",""
"1574404","9.2102","0.0014","6.6977","0.001","14.702","0.002","90","","98.797","0.004","90","","896.3","0.2","100","0.2","100","0.2","","","","","","","","4","P 1 21 1","P 2yb","4","","(1S,2S)-2-(4-nitrophenyl)cyclopropane-1-carbonitrile","","- C10 H8 N2 O2 -","- C10 H8 N2 O2 -","- C40 H32 N8 O8 -","4","2","","Tan, Hao-Chong; Shing, Ka-Pan; Wang, Hua-Hua; Liu, Yungen; Che, Chi-Ming","Chiral iron porphyrin (+)-D4-(por)FeCl catalyzes highly enantioselective cyclopropanation of alkenes using in situ generated diazoacetonitrile with up to 35 000 product turnover","Chemical Science","2025","16","17","7191","7202","10.1039/D5SC00461F","","x-ray","1.34138","GaKα","","0.0399","0.0396","","","0.106","0.1064","","","","","","1.06","","","","has coordinates","300588","2025-07-06","14:10:32",""
"1574405","7.186","0.0006","10.3981","0.0008","12.9161","0.001","90","","90","","90","","965.1","0.13","100","0.2","100","0.2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1S,2R)-2-phenyl-2-(trifluoromethyl)cyclopropane-1-carbonitrile","","- C11 H8 F3 N -","- C11 H8 F3 N -","- C44 H32 F12 N4 -","4","1","","Tan, Hao-Chong; Shing, Ka-Pan; Wang, Hua-Hua; Liu, Yungen; Che, Chi-Ming","Chiral iron porphyrin (+)-D4-(por)FeCl catalyzes highly enantioselective cyclopropanation of alkenes using in situ generated diazoacetonitrile with up to 35 000 product turnover","Chemical Science","2025","16","17","7191","7202","10.1039/D5SC00461F","","x-ray","1.34138","GaKα","","0.0433","0.0416","","","0.1063","0.1077","","","","","","1.079","","","","has coordinates","300588","2025-07-06","14:10:32",""
"1574406","10.4077","0.001","7.4147","0.0008","14.8363","0.0016","90","","92.504","0.004","90","","1143.8","0.2","100","0.2","100","0.2","","","","","","","","4","P 1 21 1","P 2yb","4","","(1S,2S)-2-(Ferrocenyl)cyclopropane-1-carbonitrile","","- C14 H13 Fe N -","- C14 H13 Fe N -","- C56 H52 Fe4 N4 -","4","2","","Tan, Hao-Chong; Shing, Ka-Pan; Wang, Hua-Hua; Liu, Yungen; Che, Chi-Ming","Chiral iron porphyrin (+)-D4-(por)FeCl catalyzes highly enantioselective cyclopropanation of alkenes using in situ generated diazoacetonitrile with up to 35 000 product turnover","Chemical Science","2025","16","17","7191","7202","10.1039/D5SC00461F","","x-ray","1.34138","GaKα","","0.0416","0.0376","","","0.0961","0.099","","","","","","1.083","","","","has coordinates","300588","2025-07-06","14:10:32",""
"1574407","7.0173","0.0004","9.839","0.0006","12.9563","0.0008","90","","90","","90","","894.54","0.09","100","2","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1R,2R)-2-bromo-2-phenylcyclopropane-1-carbonitrile","","- C10 H8 Br N -","- C10 H8 Br N -","- C40 H32 Br4 N4 -","4","1","","Tan, Hao-Chong; Shing, Ka-Pan; Wang, Hua-Hua; Liu, Yungen; Che, Chi-Ming","Chiral iron porphyrin (+)-D4-(por)FeCl catalyzes highly enantioselective cyclopropanation of alkenes using in situ generated diazoacetonitrile with up to 35 000 product turnover","Chemical Science","2025","16","17","7191","7202","10.1039/D5SC00461F","","","1.34138","GaKα","","0.0427","0.0332","","","0.056","0.0586","","","","","","1.12","","","","has coordinates","300588","2025-07-06","14:10:32",""
"1574408","7.5069","0.0004","18.7077","0.0016","17.6728","0.0007","90","","90.683","0.005","90","","2481.7","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(SIMes)BH2(ASCO)","7","","- C25.5 H32 As B N2 O -","- C25.5 H32 As B N2 O -","- C102 H128 As4 B4 N8 O4 -","4","1","","Jürgensen, Malte; Kunz, Tanja; Arrowsmith, Merle; Dietz, Maximilian; Hagspiel, Stephan; Braunschweig, Holger","Synthesis and reactivity of a parent phosphathioethynolato-borane and a boraarsaketene","Chemical Science","2025","16","20","8870","8877","10.1039/D5SC01996F","","x-ray","1.54184","CuKα","K-L~2,3~","0.1611","0.1157","","","0.3318","0.3669","","","","","","1.317","","","","has coordinates,has disorder","300628","2025-07-06","14:28:25",""
"1574409","16.551","0.0002","8.9942","0.0001","20.2775","0.0002","90","","93.55","0.001","90","","3012.78","0.06","100","2","100","0.12","","","","","","","","7","C 1 2 1","C 2y","5","(SIMes)BH2OTf","1-SIMes","","- C31 H37 B F3 N2 O3 S -","- C31 H37 B F3 N2 O3 S -","- C124 H148 B4 F12 N8 O12 S4 -","4","1","","Jürgensen, Malte; Kunz, Tanja; Arrowsmith, Merle; Dietz, Maximilian; Hagspiel, Stephan; Braunschweig, Holger","Synthesis and reactivity of a parent phosphathioethynolato-borane and a boraarsaketene","Chemical Science","2025","16","20","8870","8877","10.1039/D5SC01996F","","","1.54184","CuKα","","0.0326","0.0323","","","0.0878","0.0881","","","","","","1.06","","","","has coordinates","300628","2025-07-06","14:28:26",""
"1574410","7.5149","0.0001","19.1431","0.0002","17.1323","0.0001","90","","90.562","0.001","90","","2464.51","0.04","100","2","99.99","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(SIMes)BH2(SCP)","2-SIMes","","- C25 H31 B N2 P S -","- C25 H31 B N2 P S -","- C100 H124 B4 N8 P4 S4 -","4","1","","Jürgensen, Malte; Kunz, Tanja; Arrowsmith, Merle; Dietz, Maximilian; Hagspiel, Stephan; Braunschweig, Holger","Synthesis and reactivity of a parent phosphathioethynolato-borane and a boraarsaketene","Chemical Science","2025","16","20","8870","8877","10.1039/D5SC01996F","","","1.54184","CuKα","","0.0441","0.0418","","","0.1144","0.1159","","","","","","1.028","","","","has coordinates,has disorder","300628","2025-07-06","14:28:26",""
"1574411","20.8665","0.0002","8.2701","0.0001","23.3283","0.0002","90","","90.258","0.001","90","","4025.68","0.07","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(SIMes)[BP(H)B(H)(C2B10H10Me)C(C12H8)S]","6","","- C37 H49 B12 N2 P S -","- C37 H49 B12 N2 P S -","- C148 H196 B48 N8 P4 S4 -","4","1","","Jürgensen, Malte; Kunz, Tanja; Arrowsmith, Merle; Dietz, Maximilian; Hagspiel, Stephan; Braunschweig, Holger","Synthesis and reactivity of a parent phosphathioethynolato-borane and a boraarsaketene","Chemical Science","2025","16","20","8870","8877","10.1039/D5SC01996F","","x-ray","1.54184","CuKα","K-L~2,3~","0.0523","0.0414","","","0.1028","0.1081","","","","","","1.035","","","","has coordinates","300628","2025-07-06","14:28:26",""
"1574412","13.8895","0.0002","14.0251","0.0002","14.5748","0.0002","61.329","0.002","73.845","0.001","64.999","0.002","2247.48","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","(SIMes)BH2(As-C4BPh5)","8","","- C55 H53 As B2 N2 -","- C55 H53 As B2 N2 -","- C110 H106 As2 B4 N4 -","2","1","","Jürgensen, Malte; Kunz, Tanja; Arrowsmith, Merle; Dietz, Maximilian; Hagspiel, Stephan; Braunschweig, Holger","Synthesis and reactivity of a parent phosphathioethynolato-borane and a boraarsaketene","Chemical Science","2025","16","20","8870","8877","10.1039/D5SC01996F","","x-ray","1.54184","CuKα","K-L~2,3~","0.0473","0.0459","","","0.1253","0.1264","","","","","","1.042","","","","has coordinates,has disorder","300628","2025-07-06","14:28:26",""
"1574413","19.026","0.0002","24.2587","0.0001","9.7105","0.0001","90","","121.337","0.001","90","","3828.05","0.07","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","(SIMes)BH2S(CN3PPhCF3)","3-PhCF3","","- C41 H44 B F3 N5 P S -","- C41 H44 B F3 N5 P S -","- C164 H176 B4 F12 N20 P4 S4 -","4","2","","Jürgensen, Malte; Kunz, Tanja; Arrowsmith, Merle; Dietz, Maximilian; Hagspiel, Stephan; Braunschweig, Holger","Synthesis and reactivity of a parent phosphathioethynolato-borane and a boraarsaketene","Chemical Science","2025","16","20","8870","8877","10.1039/D5SC01996F","","x-ray","1.54184","CuKα","K-L~2,3~","0.0401","0.0377","","","0.1019","0.1037","","","","","","1.06","","","","has coordinates,has disorder","300628","2025-07-06","14:28:26",""
"1574414","9.4437","0.0001","20.1987","0.0001","26.6309","0.0001","90","","90","","90","","5079.86","0.06","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","(SIMes)BH2C(Ph)B(Ph)S(C4PPh3)","5","","- C63 H61 B2 N2 P S -","- C63 H61 B2 N2 P S -","- C252 H244 B8 N8 P4 S4 -","4","1","","Jürgensen, Malte; Kunz, Tanja; Arrowsmith, Merle; Dietz, Maximilian; Hagspiel, Stephan; Braunschweig, Holger","Synthesis and reactivity of a parent phosphathioethynolato-borane and a boraarsaketene","Chemical Science","2025","16","20","8870","8877","10.1039/D5SC01996F","","x-ray","1.54184","CuKα","K-L~2,3~","0.0297","0.0291","","","0.0801","0.0805","","","","","","1.026","","","","has coordinates,has disorder","300628","2025-07-06","14:28:26",""
"1574416","7.41048","0.00005","6.29241","0.00005","28.7488","0.00018","90","","94.1631","0.0006","90","","1337.01","0.016","143.15","","143.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H15 N O4 -","- C14 H15 N O4 -","- C56 H60 N4 O16 -","4","2","","Dai, Ling; Chen, Ying-Ying; Wang, Jing-Jun; Chen, Jun-Jia; Zhou, Qi-Lin","Photoinduced copper-catalysed enantioselective amination of allylic and propargylic C–H bonds","Chemical Science","2025","16","21","9213","9219","10.1039/D5SC00872G","","x-ray","1.54184","CuKα","","0.0313","0.0308","","","0.0913","0.0918","","","","","","1.109","","","","has coordinates","300675","2025-07-06","14:48:39",""
"1574417","8.7615","0.0003","10.5013","0.0003","17.8315","0.0006","84.768","0.003","83.36","0.003","85.557","0.003","1619.11","0.09","123","2","123","2","","","","","","","","2","P -1","-P 1","2","","7k","","- C24 H26 -","- C24 H26 -","- C96 H104 -","4","2","","Toyama, Yoshifumi; Nakamura, Takumu; Horikawa, Yushin; Morinaka, Yuta; Ono, Yohei; Yagi, Akiko; Itami, Kenichiro; Ito, Hideto","Rh-catalyzed mechanochemical transfer hydrogenation for the synthesis of periphery-hydrogenated polycyclic aromatic compounds","Chemical Science","2025","16","21","9117","9124","10.1039/D5SC01489A","","x-ray","0.71073","MoKα","","0.0561","0.0456","","","0.1274","0.1334","","","","","","1.103","","","","has coordinates","300672","2025-07-06","14:47:38",""
"1574418","25.7173","0.0012","13.4757","0.0006","8.5134","0.0004","90","","90","","90","","2950.4","0.2","123","2","123","2","","","","","","","","2","C c c a :2","-C 2a 2ac","68","","7e","","- C42 H36 -","- C42 H36 -","- C168 H144 -","4","0.25","","Toyama, Yoshifumi; Nakamura, Takumu; Horikawa, Yushin; Morinaka, Yuta; Ono, Yohei; Yagi, Akiko; Itami, Kenichiro; Ito, Hideto","Rh-catalyzed mechanochemical transfer hydrogenation for the synthesis of periphery-hydrogenated polycyclic aromatic compounds","Chemical Science","2025","16","21","9117","9124","10.1039/D5SC01489A","","x-ray","0.71073","MoKα","","0.0466","0.0387","","","0.1035","0.1089","","","","","","1.044","","","","has coordinates","300672","2025-07-06","14:47:38",""
"1574419","9.5878","0.0007","17.3304","0.0017","20.2331","0.0015","90","","102.886","0.008","90","","3277.3","0.5","123","2","123","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","compound_6c","","- C22 H32 -","- C22 H32 -","- C176 H256 -","8","1","","Toyama, Yoshifumi; Nakamura, Takumu; Horikawa, Yushin; Morinaka, Yuta; Ono, Yohei; Yagi, Akiko; Itami, Kenichiro; Ito, Hideto","Rh-catalyzed mechanochemical transfer hydrogenation for the synthesis of periphery-hydrogenated polycyclic aromatic compounds","Chemical Science","2025","16","21","9117","9124","10.1039/D5SC01489A","","x-ray","0.71073","MoKα","","0.1014","0.072","","","0.1933","0.2108","","","","","","1.042","","","","has coordinates","300672","2025-07-06","14:47:38",""
"1574422","17.3151","0.0008","19.776","0.0009","24.0152","0.001","104.281","0.002","99.666","0.002","110.711","0.002","7152.9","0.6","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C168 H132 N4 O8 P4 -","- C168 H132 N4 O8 P4 -","- C336 H264 N8 O16 P8 -","2","1","","Yang, Bo; Yan, Suqiong; Ban, Shirong; Ma, Hui; Zhang, Yuan; Feng, Fanda; Huang, Wei","Customizing circularly polarized afterglow by stepwise chiral amplification in BINAPs/BINAPOs","Chemical Science","2025","16","21","9393","9405","10.1039/D4SC08710K","","","1.34139","GaKα","","0.184","0.1083","","","0.2529","0.283","","","","","","1.02","","","","has coordinates","300673","2025-07-06","14:47:49",""
"1574423","11.8295","0.0007","6.0362","0.0003","14.3214","0.0009","90","","109.685","0.003","90","","962.86","0.1","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 S2 -","- C12 H8 Du4 S2 -","- C48 H32 Du16 S8 -","4","1","","Zeng, Huiwen; Li, Hualiu; Zhen, Peng; Zhou, Jiadong; Xu, Bingjia; Shi, Guang; Zhang, Yujian; Chi, Zhenguo; Liu, Cong","Tuning intramolecular charge transfer and suppressing rotations in thianthrene derivatives for enhancement of room-temperature phosphorescence","Chemical Science","2025","16","21","9169","9177","10.1039/D5SC01176K","","","","","","0.038","","","","","","","","","","","","","","","has coordinates","300666","2025-07-06","14:46:19",""
"1574424","7.8218","0.0005","8.1282","0.0005","16.4591","0.001","84.174","0.002","77.024","0.002","63.829","0.002","915.16","0.1","100","2","100","","","","","","","","","3","P -1","-P 1","2","","","","- C26 H16 S2 -","- C26 H16 S2 -","- C52 H32 S4 -","2","1","","Zeng, Huiwen; Li, Hualiu; Zhen, Peng; Zhou, Jiadong; Xu, Bingjia; Shi, Guang; Zhang, Yujian; Chi, Zhenguo; Liu, Cong","Tuning intramolecular charge transfer and suppressing rotations in thianthrene derivatives for enhancement of room-temperature phosphorescence","Chemical Science","2025","16","21","9169","9177","10.1039/D5SC01176K","","","0.71073","MoKα","","0.0467","0.0375","","","0.0839","0.0899","","","","","","1.024","","","","has coordinates","300666","2025-07-06","14:46:19",""
"1574425","11.4034","0.0005","11.4007","0.0004","21.3464","0.0009","90","","97.826","0.002","90","","2749.33","0.19","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H12 S2 -","- C18 H12 S2 -","- C144 H96 S16 -","8","2","","Zeng, Huiwen; Li, Hualiu; Zhen, Peng; Zhou, Jiadong; Xu, Bingjia; Shi, Guang; Zhang, Yujian; Chi, Zhenguo; Liu, Cong","Tuning intramolecular charge transfer and suppressing rotations in thianthrene derivatives for enhancement of room-temperature phosphorescence","Chemical Science","2025","16","21","9169","9177","10.1039/D5SC01176K","","","0.71073","MoKα","","0.0493","0.0349","","","0.0826","0.0901","","","","","","1.024","","","","has coordinates","300666","2025-07-06","14:46:19",""
"1574426","20.081","0.003","11.1282","0.0017","29.075","0.005","90","","91.588","0.007","90","","6494.8","1.8","197","","197","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H14 S2 -","- C18.4328 H11.5592 S1.81225 -","- C294.924 H184.948 S28.996 -","16","4","","Zeng, Huiwen; Li, Hualiu; Zhen, Peng; Zhou, Jiadong; Xu, Bingjia; Shi, Guang; Zhang, Yujian; Chi, Zhenguo; Liu, Cong","Tuning intramolecular charge transfer and suppressing rotations in thianthrene derivatives for enhancement of room-temperature phosphorescence","Chemical Science","2025","16","21","9169","9177","10.1039/D5SC01176K","","","1.54178","CuKα","","0.0456","0.0433","","","0.0983","0.0995","","","","","","1.11","","","","has coordinates,has disorder","300666","2025-07-06","14:46:19",""
"1574434","25.4599","0.001","4.8787","0.0002","23.7344","0.0009","90","","107.608","0.004","90","","2810","0.2","150","","150","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","nicotinamide_3-hydroxy-2-napthoic acid","","- C17 H14 N2 O4 -","- C17 H14 N2 O4 -","- C136 H112 N16 O32 -","8","1","","Metherall, Jessica P.; Corner, Philip A.; McCabe, James F.; Probert, Michael R.; Hall, Michael J.","High-throughput encapsulated nanodroplet screening for accelerated co-crystal discovery","Chemical Science","2025","16","22","9843","9853","10.1039/D4SC07556K","","x-ray","1.54184","CuKα","","0.0359","0.0316","","","0.0825","0.0851","","","","","","1.047","","","","has coordinates","300556","2025-07-06","13:54:51",""
"1574435","9.6893","0.0001","16.7367","0.0002","15.0094","0.0002","90","","99.937","0.001","90","","2397.51","0.05","150","0.1","150","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","4,4'-bipyridine_methyl_gallate_MeNO2","","- C48 H50 N8 O16 -","- C48 H50 N8 O16 -","- C96 H100 N16 O32 -","2","1","","Metherall, Jessica P.; Corner, Philip A.; McCabe, James F.; Probert, Michael R.; Hall, Michael J.","High-throughput encapsulated nanodroplet screening for accelerated co-crystal discovery","Chemical Science","2025","16","22","9843","9853","10.1039/D4SC07556K","","x-ray","1.54184","CuKα","","0.0481","0.0428","","","0.1164","0.12","","","","","","1.04","","","","has coordinates","300556","2025-07-06","13:54:52",""
"1574436","5.198","0.0003","7.7142","0.0004","16.8659","0.0008","85.429","0.004","88.957","0.004","83.901","0.004","670.3","0.06","149.99","0.1","149.99","0.1","","","","","","","","4","P -1","-P 1","2","","nicotinamide_methyl gallate","","- C14 H14 N2 O6 -","- C14 H14 N2 O6 -","- C28 H28 N4 O12 -","2","1","","Metherall, Jessica P.; Corner, Philip A.; McCabe, James F.; Probert, Michael R.; Hall, Michael J.","High-throughput encapsulated nanodroplet screening for accelerated co-crystal discovery","Chemical Science","2025","16","22","9843","9853","10.1039/D4SC07556K","","x-ray","1.54184","CuKα","","0.0537","0.0449","","","0.1245","0.1323","","","","","","1.05","","","","has coordinates","300556","2025-07-06","13:54:52",""
"1574437","8.2386","0.0006","9.1933","0.0006","12.2557","0.0007","109.346","0.005","104.319","0.006","92.86","0.005","839.76","0.1","150.15","","150.15","","","","","","","","","4","P -1","-P 1","2","","caffeine_quinol","","- C17 H19 N4 O5 -","- C17 H19 N4 O5 -","- C34 H38 N8 O10 -","2","1","","Metherall, Jessica P.; Corner, Philip A.; McCabe, James F.; Probert, Michael R.; Hall, Michael J.","High-throughput encapsulated nanodroplet screening for accelerated co-crystal discovery","Chemical Science","2025","16","22","9843","9853","10.1039/D4SC07556K","","x-ray","1.54184","CuKα","","0.0678","0.055","","","0.1525","0.1658","","","","","","1.06","","","","has coordinates,has disorder","300556","2025-07-06","13:54:52",""
"1574438","5.7882","0.0002","8.051","0.0003","13.3821","0.0005","96.039","0.003","91.946","0.003","94.003","0.003","618.11","0.04","150","","150","","","","","","","","","4","P -1","-P 1","2","","nicotinamide_2,4-dihydroxybenzoic acid","","- C13 H12 N2 O5 -","- C13 H12 N2 O5 -","- C26 H24 N4 O10 -","2","1","","Metherall, Jessica P.; Corner, Philip A.; McCabe, James F.; Probert, Michael R.; Hall, Michael J.","High-throughput encapsulated nanodroplet screening for accelerated co-crystal discovery","Chemical Science","2025","16","22","9843","9853","10.1039/D4SC07556K","","x-ray","1.54184","CuKα","","0.0413","0.0351","","","0.0965","0.1","","","","","","1.072","","","","has coordinates","300556","2025-07-06","13:54:52",""
"1574439","6.2329","0.0007","22.008","0.003","9.4129","0.0011","90","","99.411","0.01","90","","1273.8","0.3","294.98","0.17","294.98","0.17","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4,4'-bipyridine_3,5-dinitrobenzoic acid","","- C12 H8 N3 O6 -","- C12 H8 N3 O6 -","- C48 H32 N12 O24 -","4","1","","Metherall, Jessica P.; Corner, Philip A.; McCabe, James F.; Probert, Michael R.; Hall, Michael J.","High-throughput encapsulated nanodroplet screening for accelerated co-crystal discovery","Chemical Science","2025","16","22","9843","9853","10.1039/D4SC07556K","","x-ray","1.54184","CuKα","","0.0832","0.0593","","","0.157","0.1716","","","","","","1.089","","","","has coordinates","300556","2025-07-06","13:54:52",""
"1574440","9.7342","0.0006","10.4465","0.0005","10.8557","0.0007","77.28","0.005","86.238","0.005","72.443","0.005","1026.64","0.11","150","","150","","","","","","","","","4","P -1","-P 1","2","","4,4'-bipyridine_3-hydroxy-2-naphthoic acid","","- C26 H20 N3 O3 -","- C26 H20 N3 O3 -","- C52 H40 N6 O6 -","2","1","","Metherall, Jessica P.; Corner, Philip A.; McCabe, James F.; Probert, Michael R.; Hall, Michael J.","High-throughput encapsulated nanodroplet screening for accelerated co-crystal discovery","Chemical Science","2025","16","22","9843","9853","10.1039/D4SC07556K","","x-ray","1.54184","CuKα","","0.0579","0.0457","","","0.1133","0.1201","","","","","","1.062","","","","has coordinates,has disorder","300556","2025-07-06","13:54:52",""
"1574441","9.0412","0.0005","24.4254","0.001","8.6209","0.0005","90","","116.71","0.007","90","","1700.65","0.19","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","caffeine_3-hydroxy-2-naphthoic acid","","- C19 H18 N4 O5 -","- C19 H18 N4 O5 -","- C76 H72 N16 O20 -","4","1","","Metherall, Jessica P.; Corner, Philip A.; McCabe, James F.; Probert, Michael R.; Hall, Michael J.","High-throughput encapsulated nanodroplet screening for accelerated co-crystal discovery","Chemical Science","2025","16","22","9843","9853","10.1039/D4SC07556K","","x-ray","1.54184","CuKα","","0.0427","0.0395","","","0.109","0.1116","","","","","","1.059","","","","has coordinates","300556","2025-07-06","13:54:52",""
"1574442","9.4553","0.0002","17.6614","0.0004","28.0494","0.0005","90","","93.143","0.002","90","","4677.03","0.17","150","","150","","","","","","","","","4","C 1 c 1","C -2yc","9","","4,4'-bipyridine_methyl gallate_DMF_H2O","","- C49 H51 N7 O13 -","- C49 H51 N7 O13 -","- C196 H204 N28 O52 -","4","1","","Metherall, Jessica P.; Corner, Philip A.; McCabe, James F.; Probert, Michael R.; Hall, Michael J.","High-throughput encapsulated nanodroplet screening for accelerated co-crystal discovery","Chemical Science","2025","16","22","9843","9853","10.1039/D4SC07556K","","x-ray","1.54184","CuKα","","0.0282","0.0274","","","0.0749","0.0753","","","","","","1.049","","","","has coordinates,has disorder","300556","2025-07-06","13:54:52",""
"1574443","7.1718","0.0004","8.5853","0.0005","13.748","0.0006","90.289","0.004","100.961","0.004","106.499","0.005","795.26","0.08","150","","150","","","","","","","","","4","P -1","-P 1","2","","caffeine_2,4-dihydroxybenzoic acid_H2O","","- C15 H18 N4 O7 -","- C15 H18 N4 O7 -","- C30 H36 N8 O14 -","2","1","","Metherall, Jessica P.; Corner, Philip A.; McCabe, James F.; Probert, Michael R.; Hall, Michael J.","High-throughput encapsulated nanodroplet screening for accelerated co-crystal discovery","Chemical Science","2025","16","22","9843","9853","10.1039/D4SC07556K","","x-ray","1.54184","CuKα","","0.062","0.048","","","0.1219","0.129","","","","","","1.05","","","","has coordinates","300556","2025-07-06","13:54:52",""
"1574444","13.6498","0.0005","7.3982","0.0002","16.4817","0.0005","90","","106.994","0.003","90","","1591.71","0.09","150.01","0.1","150.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4,4'-dipyridine_3,5-dinitrobenzoic acid","","- C17 H12 N4 O6 -","- C17 H12 N4 O6 -","- C68 H48 N16 O24 -","4","1","","Metherall, Jessica P.; Corner, Philip A.; McCabe, James F.; Probert, Michael R.; Hall, Michael J.","High-throughput encapsulated nanodroplet screening for accelerated co-crystal discovery","Chemical Science","2025","16","22","9843","9853","10.1039/D4SC07556K","","x-ray","1.54184","CuKα","","0.0476","0.0422","","","0.1187","0.1243","","","","","","1.045","","","","has coordinates","300556","2025-07-06","13:54:52",""
"1574445","10.6221","0.0004","11.3226","0.0003","11.5995","0.0005","90","","107.861","0.004","90","","1327.83","0.09","149.99","0.1","149.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-hydroxy-2-naphthoic acid_1,2-bis(4-pyridyl)ethane","","- C17 H14 N O3 -","- C17 H14 N O3 -","- C68 H56 N4 O12 -","4","1","","Metherall, Jessica P.; Corner, Philip A.; McCabe, James F.; Probert, Michael R.; Hall, Michael J.","High-throughput encapsulated nanodroplet screening for accelerated co-crystal discovery","Chemical Science","2025","16","22","9843","9853","10.1039/D4SC07556K","","x-ray","1.54184","CuKα","","0.0641","0.0551","","","0.1318","0.1366","","","","","","1.147","","","","has coordinates","300556","2025-07-06","13:54:52",""
"1574446","7.4821","0.0004","9.4572","0.0004","13.6078","0.0007","83.084","0.004","78.243","0.005","68.6","0.005","876.57","0.08","150.11","0.1","150.11","0.1","","","","","","","","4","P -1","-P 1","2","","orcino_phenazine","","- C21 H20 N2 O3 -","- C21 H20 N2 O3 -","- C42 H40 N4 O6 -","2","1","","Metherall, Jessica P.; Corner, Philip A.; McCabe, James F.; Probert, Michael R.; Hall, Michael J.","High-throughput encapsulated nanodroplet screening for accelerated co-crystal discovery","Chemical Science","2025","16","22","9843","9853","10.1039/D4SC07556K","","x-ray","1.54184","CuKα","","0.0526","0.0464","","","0.1318","0.1376","","","","","","1.072","","","","has coordinates","300556","2025-07-06","13:54:52",""
"1574447","13.0056","0.0003","6.5779","0.0002","17.0942","0.0004","90","","97.832","0.002","90","","1448.76","0.07","149.99","0.1","149.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","caffeine_glutaric acid","","- C13 H18 N4 O6 -","- C13 H18 N4 O6 -","- C52 H72 N16 O24 -","4","1","","Metherall, Jessica P.; Corner, Philip A.; McCabe, James F.; Probert, Michael R.; Hall, Michael J.","High-throughput encapsulated nanodroplet screening for accelerated co-crystal discovery","Chemical Science","2025","16","22","9843","9853","10.1039/D4SC07556K","","x-ray","1.54184","CuKα","","0.0472","0.0377","","","0.1044","0.1116","","","","","","1.034","","","","has coordinates","300556","2025-07-06","13:54:52",""
"1574448","7.6282","0.0004","9.2277","0.0004","10.0237","0.0005","90","","111.011","0.006","90","","658.66","0.06","149.99","0.1","149.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","tetramethylpyrazine_quinol","","- C14 H18 N2 O2 -","- C14 H18 N2 O2 -","- C28 H36 N4 O4 -","2","0.5","","Metherall, Jessica P.; Corner, Philip A.; McCabe, James F.; Probert, Michael R.; Hall, Michael J.","High-throughput encapsulated nanodroplet screening for accelerated co-crystal discovery","Chemical Science","2025","16","22","9843","9853","10.1039/D4SC07556K","","x-ray","1.54184","CuKα","","0.0363","0.0338","","","0.0906","0.0922","","","","","","1.075","","","","has coordinates","300556","2025-07-06","13:54:52",""
"1574449","6.9229","0.0002","10.1175","0.0003","23.0844","0.0007","90","","91.161","0.002","90","","1616.56","0.08","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","caffeine_methyl gallate","","- C16 H18 N4 O7 -","- C16 H18 N4 O7 -","- C64 H72 N16 O28 -","4","1","","Metherall, Jessica P.; Corner, Philip A.; McCabe, James F.; Probert, Michael R.; Hall, Michael J.","High-throughput encapsulated nanodroplet screening for accelerated co-crystal discovery","Chemical Science","2025","16","22","9843","9853","10.1039/D4SC07556K","","x-ray","1.54184","CuKα","","0.0347","0.033","","","0.0946","0.0961","","","","","","1.056","","","","has coordinates","300556","2025-07-06","13:54:52",""
"1574450","7.239","0.0002","7.5083","0.0002","15.0443","0.0004","77.229","0.002","80.117","0.002","65.746","0.003","724.07","0.04","149.99","0.1","149.99","0.1","","","","","","","","4","P -1","-P 1","2","","nicotinamide_2,4-dihydroxybenzoic acid_MeOH","","- C14 H16 N2 O6 -","- C14 H16 N2 O6 -","- C28 H32 N4 O12 -","2","1","","Metherall, Jessica P.; Corner, Philip A.; McCabe, James F.; Probert, Michael R.; Hall, Michael J.","High-throughput encapsulated nanodroplet screening for accelerated co-crystal discovery","Chemical Science","2025","16","22","9843","9853","10.1039/D4SC07556K","","x-ray","1.54184","CuKα","","0.0429","0.0393","","","0.1112","0.1139","","","","","","1.045","","","","has coordinates","300556","2025-07-06","13:54:52",""
"1574451","5.5588","0.0001","9.9773","0.0003","50.1061","0.0016","90","","92.693","0.002","90","","2775.91","0.13","149.99","0.1","149.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4,4'-bipyridine_glutaric acid","","- C15 H16 N2 O4 -","- C15 H16 N2 O4 -","- C120 H128 N16 O32 -","8","2","","Metherall, Jessica P.; Corner, Philip A.; McCabe, James F.; Probert, Michael R.; Hall, Michael J.","High-throughput encapsulated nanodroplet screening for accelerated co-crystal discovery","Chemical Science","2025","16","22","9843","9853","10.1039/D4SC07556K","","x-ray","1.54184","CuKα","","0.0574","0.044","","","0.1155","0.1242","","","","","","1.07","","","","has coordinates","300556","2025-07-06","13:54:52",""
"1574452","8.7799","0.0008","10.0344","0.001","11.9985","0.001","67.885","0.009","77.744","0.007","69.42","0.009","912.91","0.16","150.1","0.1","150.1","0.1","","","","","","","","4","P -1","-P 1","2","","4,4'-bipyridine_orcinol","","- C44 H40 N6 O4 -","- C44 H40 N6 O4 -","- C44 H40 N6 O4 -","1","0.5","","Metherall, Jessica P.; Corner, Philip A.; McCabe, James F.; Probert, Michael R.; Hall, Michael J.","High-throughput encapsulated nanodroplet screening for accelerated co-crystal discovery","Chemical Science","2025","16","22","9843","9853","10.1039/D4SC07556K","","x-ray","1.54184","CuKα","","0.0576","0.0517","","","0.1416","0.1476","","","","","","1.076","","","","has coordinates","300556","2025-07-06","13:54:52",""
"1574453","5.2125","0.0002","27.0087","0.001","10.3421","0.0003","90","","102.312","0.003","90","","1422.5","0.09","150.01","0.1","150.01","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","nicotinamide_quinol","","- C15 H15 N4 O3 -","- C15 H15 N4 O3 -","- C60 H60 N16 O12 -","4","1","","Metherall, Jessica P.; Corner, Philip A.; McCabe, James F.; Probert, Michael R.; Hall, Michael J.","High-throughput encapsulated nanodroplet screening for accelerated co-crystal discovery","Chemical Science","2025","16","22","9843","9853","10.1039/D4SC07556K","","x-ray","1.54184","CuKα","","0.0648","0.0553","","","0.1485","0.1551","","","","","","1.036","","","","has coordinates","300556","2025-07-06","13:54:52",""
"1574454","8.9136","0.0004","11.3523","0.0005","12.4921","0.0005","90","","98.27","0.004","90","","1250.93","0.09","149.99","0.1","149.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4,4'-bipyridine_3-hydoxy-2-naphthoic acid","","- C16 H12 N O3 -","- C16 H12 N O3 -","- C64 H48 N4 O12 -","4","1","","Metherall, Jessica P.; Corner, Philip A.; McCabe, James F.; Probert, Michael R.; Hall, Michael J.","High-throughput encapsulated nanodroplet screening for accelerated co-crystal discovery","Chemical Science","2025","16","22","9843","9853","10.1039/D4SC07556K","","x-ray","1.54184","CuKα","","0.0561","0.0448","","","0.1163","0.1249","","","","","","1.069","","","","has coordinates","300556","2025-07-06","13:54:52",""
"1574455","7.0215","0.0003","22.3185","0.0008","20.2612","0.0007","90","","92.304","0.003","90","","3172.6","0.2","150.01","0.1","150.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","nicotinamide_3,5-dinitrobenzoic acid_MeOH","","- C14 H14 N4 O8 -","- C14 H14 N4 O8 -","- C112 H112 N32 O64 -","8","2","","Metherall, Jessica P.; Corner, Philip A.; McCabe, James F.; Probert, Michael R.; Hall, Michael J.","High-throughput encapsulated nanodroplet screening for accelerated co-crystal discovery","Chemical Science","2025","16","22","9843","9853","10.1039/D4SC07556K","","x-ray","1.54184","CuKα","","0.0581","0.0462","","","0.1319","0.144","","","","","","1.074","","","","has coordinates","300556","2025-07-06","13:54:52",""
"1574456","4.4079","0.0001","14.7459","0.0004","15.8719","0.0004","90","","96.239","0.002","90","","1025.54","0.04","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","caffeine_oxalic acid","","- C9 H11 N4 O4 -","- C9 H11 N4 O4 -","- C36 H44 N16 O16 -","4","1","","Metherall, Jessica P.; Corner, Philip A.; McCabe, James F.; Probert, Michael R.; Hall, Michael J.","High-throughput encapsulated nanodroplet screening for accelerated co-crystal discovery","Chemical Science","2025","16","22","9843","9853","10.1039/D4SC07556K","","x-ray","1.54184","CuKα","","0.0414","0.0346","","","0.0909","0.0952","","","","","","1.042","","","","has coordinates","300556","2025-07-06","13:54:52",""
"1574457","9.0637","0.0002","29.4253","0.0008","12.6604","0.0004","90","","90","","90","","3376.56","0.16","149.99","0.1","149.99","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","caffeine_3,5-dinitrobenzoic acid","","- C15 H14 N6 O8 -","- C15 H14 N6 O8 -","- C120 H112 N48 O64 -","8","2","","Metherall, Jessica P.; Corner, Philip A.; McCabe, James F.; Probert, Michael R.; Hall, Michael J.","High-throughput encapsulated nanodroplet screening for accelerated co-crystal discovery","Chemical Science","2025","16","22","9843","9853","10.1039/D4SC07556K","","x-ray","1.54184","CuKα","","0.0669","0.0597","","","0.1455","0.1494","","","","","","1.123","","","","has coordinates","300556","2025-07-06","13:54:52",""
"1574458","6.5495","0.0004","10.7984","0.0007","20.6573","0.0013","90","","97.076","0.006","90","","1449.84","0.16","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4,4'-bipyridine_2,4-dihydroxybenzoic acid","","- C17 H14 N2 O4 -","- C17 H14 N2 O4 -","- C68 H56 N8 O16 -","4","1","","Metherall, Jessica P.; Corner, Philip A.; McCabe, James F.; Probert, Michael R.; Hall, Michael J.","High-throughput encapsulated nanodroplet screening for accelerated co-crystal discovery","Chemical Science","2025","16","22","9843","9853","10.1039/D4SC07556K","","x-ray","1.54184","CuKα","","0.056","0.0481","","","0.1164","0.1204","","","","","","1.178","","","","has coordinates,has disorder","300556","2025-07-06","13:54:52",""
"1574459","9.5205","0.0002","12.1056","0.0003","16.1549","0.0003","99.092","0.002","97.39","0.002","105.51","0.002","1742.73","0.07","149.99","0.1","149.99","0.1","","","","","","","","4","P -1","-P 1","2","","4,4'-bipyridine_methyl gallate_H2O","","- C18 H19 N2 O6.5 -","- C18 H19 N2 O6.5 -","- C72 H76 N8 O26 -","4","2","","Metherall, Jessica P.; Corner, Philip A.; McCabe, James F.; Probert, Michael R.; Hall, Michael J.","High-throughput encapsulated nanodroplet screening for accelerated co-crystal discovery","Chemical Science","2025","16","22","9843","9853","10.1039/D4SC07556K","","x-ray","1.54184","CuKα","","0.0491","0.0385","","","0.1051","0.1126","","","","","","1.044","","","","has coordinates","300556","2025-07-06","13:54:52",""
"1574460","7.244","0.0001","11.3576","0.0002","17.2682","0.0003","90","","97.939","0.002","90","","1407.11","0.04","149.99","0.1","149.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","nicotinamide_quinol","","- C15 H15 N4 O3 -","- C15 H15 N4 O3 -","- C60 H60 N16 O12 -","4","1","","Metherall, Jessica P.; Corner, Philip A.; McCabe, James F.; Probert, Michael R.; Hall, Michael J.","High-throughput encapsulated nanodroplet screening for accelerated co-crystal discovery","Chemical Science","2025","16","22","9843","9853","10.1039/D4SC07556K","","x-ray","1.54184","CuKα","","0.0374","0.0336","","","0.0908","0.0932","","","","","","1.043","","","","has coordinates","300556","2025-07-06","13:54:52",""
"1574461","11.3891","0.0004","4.8402","0.0001","15.7088","0.0005","90","","110","0.004","90","","813.73","0.05","150","0.1","150","0.1","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","4,4'-bipyridine_thiodipropinoic acid","","- C16 H18 N2 O4 S -","- C16 H18 N2 O4 S -","- C32 H36 N4 O8 S2 -","2","0.5","","Metherall, Jessica P.; Corner, Philip A.; McCabe, James F.; Probert, Michael R.; Hall, Michael J.","High-throughput encapsulated nanodroplet screening for accelerated co-crystal discovery","Chemical Science","2025","16","22","9843","9853","10.1039/D4SC07556K","","x-ray","1.54184","CuKα","","0.0397","0.0353","","","0.0911","0.0943","","","","","","1.071","","","","has coordinates","300556","2025-07-06","13:54:52",""
"1574462","5.4572","0.0002","7.3636","0.0003","15.1899","0.0011","99.538","0.005","94.453","0.004","104.74","0.004","577.54","0.05","150","","150","","","","","","","","","4","P -1","-P 1","2","","nicotinamide_glutaric acid","","- C11 H14 N2 O5 -","- C11 H14 N2 O5 -","- C22 H28 N4 O10 -","2","1","","Metherall, Jessica P.; Corner, Philip A.; McCabe, James F.; Probert, Michael R.; Hall, Michael J.","High-throughput encapsulated nanodroplet screening for accelerated co-crystal discovery","Chemical Science","2025","16","22","9843","9853","10.1039/D4SC07556K","","x-ray","1.54184","CuKα","","0.0436","0.0392","","","0.1069","0.1096","","","","","","1.047","","","","has coordinates","300556","2025-07-06","13:54:57",""
"1574463","7.8241","0.0004","8.6299","0.0005","9.2154","0.0006","112.063","0.006","109.788","0.006","94.584","0.005","527.1","0.07","150.01","0.1","150.01","0.1","","","","","","","","4","P -1","-P 1","2","","4,4'-bipyridine_quinol","","- C13 H11 N2 O -","- C13 H11 N2 O -","- C26 H22 N4 O2 -","2","1","","Metherall, Jessica P.; Corner, Philip A.; McCabe, James F.; Probert, Michael R.; Hall, Michael J.","High-throughput encapsulated nanodroplet screening for accelerated co-crystal discovery","Chemical Science","2025","16","22","9843","9853","10.1039/D4SC07556K","","x-ray","1.54184","CuKα","","0.0441","0.04","","","0.1101","0.1137","","","","","","1.079","","","","has coordinates","300556","2025-07-06","13:55:00",""
"1574464","9.6729","0.0005","11.1667","0.0006","25.6156","0.0016","90.315","0.002","92.411","0.002","112.001","0.002","2562.4","0.3","193","","193","","","","","","","","","7","P -1","-P 1","2","","","","- C50 H52 Dy N5 O11 P2 Se2 -","- C50 H52 Dy N5 O11 P2 Se2 -","- C100 H104 Dy2 N10 O22 P4 Se4 -","2","1","","Ma, Xiu-Fang; Hou, Xin-Lan; Qin, Ye-Hui; Teng, Qian; Bao, Song-Song; Tian, Yu-Xi; Zheng, Li-Min","A thermally and photoresponsive luminescent single-molecule magnet based on dysprosium–anthracene: effect of temperature on anthracene photocycloaddition","Chemical Science","2025","16","23","10340","10348","10.1039/D5SC01302J","","","0.71073","MoKα","","0.0409","0.0363","","","0.0943","0.0974","","","","","","1.0398","","","","has coordinates","300661","2025-07-06","14:43:55",""
"1574465","9.585","0.009","25.97","0.02","11.34","0.012","90","","112.62","0.019","90","","2606","4","300","2","300.15","","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C50 H52 Dy N5 O11 P2 Se2 -","- C50 H52 Dy N5 O11 P2 Se2 -","- C100 H104 Dy2 N10 O22 P4 Se4 -","2","0.5","","Ma, Xiu-Fang; Hou, Xin-Lan; Qin, Ye-Hui; Teng, Qian; Bao, Song-Song; Tian, Yu-Xi; Zheng, Li-Min","A thermally and photoresponsive luminescent single-molecule magnet based on dysprosium–anthracene: effect of temperature on anthracene photocycloaddition","Chemical Science","2025","16","23","10340","10348","10.1039/D5SC01302J","","","0.71073","MoKα","","0.1658","0.0859","","","0.1556","0.1919","","","","","","1.115","","","","has coordinates","300661","2025-07-06","14:44:05",""
"1574466","9.7055","0.0012","11.1138","0.0013","25.416","0.003","90.469","0.003","92.518","0.004","112.134","0.003","2536.1","0.5","130","2","130","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H52 Dy N5 O11 P2 Se2 -","- C50 H52 Dy N5 O11 P2 Se2 -","- C100 H104 Dy2 N10 O22 P4 Se4 -","2","1","","Ma, Xiu-Fang; Hou, Xin-Lan; Qin, Ye-Hui; Teng, Qian; Bao, Song-Song; Tian, Yu-Xi; Zheng, Li-Min","A thermally and photoresponsive luminescent single-molecule magnet based on dysprosium–anthracene: effect of temperature on anthracene photocycloaddition","Chemical Science","2025","16","23","10340","10348","10.1039/D5SC01302J","","","0.71073","MoKα","","0.061","0.0582","","","0.1559","0.1582","","","","","","1.142","","","","has coordinates","300661","2025-07-06","14:44:06",""
"1574467","9.7539","0.0012","25.787","0.003","11.2182","0.0014","90","","111.587","0.004","90","","2623.7","0.6","298","","298","","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C50 H52 Dy N5 O11 P2 Se2 -","- C50 H52 Dy N5 O11 P2 Se2 -","- C100 H104 Dy2 N10 O22 P4 Se4 -","2","0.5","","Ma, Xiu-Fang; Hou, Xin-Lan; Qin, Ye-Hui; Teng, Qian; Bao, Song-Song; Tian, Yu-Xi; Zheng, Li-Min","A thermally and photoresponsive luminescent single-molecule magnet based on dysprosium–anthracene: effect of temperature on anthracene photocycloaddition","Chemical Science","2025","16","23","10340","10348","10.1039/D5SC01302J","","","0.71073","MoKα","","0.1165","0.068","","","0.1603","0.1927","","","","","","1.036","","","","has coordinates","300661","2025-07-06","14:44:15",""
"1574468","9.5847","0.0012","25.809","0.003","11.2751","0.0013","90","","112.946","0.003","90","","2568.4","0.5","193","","300","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C50 H52 Dy N5 O11 P2 Se2 -","- C50 H52 Dy N5 O11 P2 Se2 -","- C100 H104 Dy2 N10 O22 P4 Se4 -","2","0.5","","Ma, Xiu-Fang; Hou, Xin-Lan; Qin, Ye-Hui; Teng, Qian; Bao, Song-Song; Tian, Yu-Xi; Zheng, Li-Min","A thermally and photoresponsive luminescent single-molecule magnet based on dysprosium–anthracene: effect of temperature on anthracene photocycloaddition","Chemical Science","2025","16","23","10340","10348","10.1039/D5SC01302J","","","0.71073","MoKα","","0.1493","0.0858","","","0.1817","0.2206","","","","","","1.039","","","","has coordinates","300661","2025-07-06","14:44:24",""
"1574469","5.8735","0.0011","17.634","0.003","17.716","0.003","90","","95.82","0.006","90","","1825.4","0.6","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 D2 N O4 -","- C20 H19 D2 N O4 -","- C80 H76 D8 N4 O16 -","4","1","","Wu, Yuanqing; Peng, Chuxiong; Zhan, Qichen; Lou, Xudong; Liu, Shijie; Lin, Xiaofeng; Han, Yulin; Cao, Peng; Cao, Tao","Towards trans-dual deuterated cyclopropanes via photoredox synergistic deuteration with D2O","Chemical Science","2025","16","21","9535","9542","10.1039/D5SC00350D","","","0.71073","MoKα","","0.1086","0.0567","","","0.1141","0.1369","","","","","","1.037","","","","has coordinates","300670","2025-07-06","14:47:12",""
"1574470","11.9108","0.0009","11.9108","0.0009","11.9108","0.0009","90","","90","","90","","1689.8","0.2","388.01","0.1","388.01","0.1","","","","","","","","6","F m -3 m","-F 4 2 3","225","","","","- C20 H32.03 Fe2 K2 N16 O4 -","- C20.0064 H32.0256 Fe2 K2 N16.0032 O4.0032 -","- C40.0128 H64.0512 Fe4 K4 N32.0064 O8.0064 -","2","0.0104167","","Lv, Hui-Peng; Hu, Sheng-Qian; Bai, Yong-Ju; Zhou, Jun-Si; Ji, Luan-Ying; Wang, Zhong-Xia; Ai, Yong; Qin, Yan; Chen, Xiao-Gang","Giant mechanical tunability by a coordination bond strategy in a 3D hybrid cyanide double perovskite ferroelastic with reconstructive phase transition","Chemical Science","2025","16","21","9109","9116","10.1039/D5SC00620A","","x-ray","0.71073","MoKα","","0.0662","0.0539","","","0.1519","0.1666","","","","","","1.077","","","","has coordinates,has disorder","300664","2025-07-06","14:45:54",""
"1574471","11.8245","0.0002","11.7157","0.0003","11.9825","0.0002","90","","91.798","0.002","90","","1659.15","0.06","368","2","368","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H16 Fe K N8 O2 -","- C10 H16 Fe K N8 O2 -","- C40 H64 Fe4 K4 N32 O8 -","4","1","","Lv, Hui-Peng; Hu, Sheng-Qian; Bai, Yong-Ju; Zhou, Jun-Si; Ji, Luan-Ying; Wang, Zhong-Xia; Ai, Yong; Qin, Yan; Chen, Xiao-Gang","Giant mechanical tunability by a coordination bond strategy in a 3D hybrid cyanide double perovskite ferroelastic with reconstructive phase transition","Chemical Science","2025","16","21","9109","9116","10.1039/D5SC00620A","","","1.54184","CuKα","","0.0739","0.0532","","","0.1539","0.1688","","","","","","1.067","","","","has coordinates,has disorder","300664","2025-07-06","14:45:54",""
"1574472","9.1365","0.0001","11.702","0.0002","15.6616","0.0002","90","","102.667","0.001","90","","1633.71","0.04","300","2","300","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H16 Fe K N8 O2 -","- C10 H16 Fe K N8 O2 -","- C40 H64 Fe4 K4 N32 O8 -","4","1","","Lv, Hui-Peng; Hu, Sheng-Qian; Bai, Yong-Ju; Zhou, Jun-Si; Ji, Luan-Ying; Wang, Zhong-Xia; Ai, Yong; Qin, Yan; Chen, Xiao-Gang","Giant mechanical tunability by a coordination bond strategy in a 3D hybrid cyanide double perovskite ferroelastic with reconstructive phase transition","Chemical Science","2025","16","21","9109","9116","10.1039/D5SC00620A","","","1.54184","CuKα","","0.0485","0.0431","","","0.1137","0.1178","","","","","","1.048","","","","has coordinates","300664","2025-07-06","14:45:54",""
"1574473","11.7784","0.0005","11.6709","0.0004","11.9663","0.0005","90","","92.024","0.003","90","","1643.92","0.11","300","0.1","300","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H16 Fe K N8 O2 -","- C10 H16 Fe K N8 O2 -","- C40 H64 Fe4 K4 N32 O8 -","4","1","","Lv, Hui-Peng; Hu, Sheng-Qian; Bai, Yong-Ju; Zhou, Jun-Si; Ji, Luan-Ying; Wang, Zhong-Xia; Ai, Yong; Qin, Yan; Chen, Xiao-Gang","Giant mechanical tunability by a coordination bond strategy in a 3D hybrid cyanide double perovskite ferroelastic with reconstructive phase transition","Chemical Science","2025","16","21","9109","9116","10.1039/D5SC00620A","","x-ray","0.71073","MoKα","","0.0587","0.0456","","","0.1116","0.1198","","","","","","1.082","","","","has coordinates,has disorder","300664","2025-07-06","14:45:54",""
"1574474","11.6613","0.0004","11.5994","0.0004","11.9561","0.0004","90","","92.675","0.003","90","","1615.47","0.1","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H16 Fe K N8 O2 -","- C10 H16 Fe K N8 O2 -","- C40 H64 Fe4 K4 N32 O8 -","4","1","","Lv, Hui-Peng; Hu, Sheng-Qian; Bai, Yong-Ju; Zhou, Jun-Si; Ji, Luan-Ying; Wang, Zhong-Xia; Ai, Yong; Qin, Yan; Chen, Xiao-Gang","Giant mechanical tunability by a coordination bond strategy in a 3D hybrid cyanide double perovskite ferroelastic with reconstructive phase transition","Chemical Science","2025","16","21","9109","9116","10.1039/D5SC00620A","","x-ray","0.71073","MoKα","","0.0472","0.0379","","","0.0997","0.1047","","","","","","1.096","","","","has coordinates","300664","2025-07-06","14:45:54",""
"1574475","32.9135","0.0003","34.9741","0.0002","51.0599","0.0004","90","","90","","90","","58776.1","0.8","100","2","100","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C320 H248 N16 O136 P10 Si4 W40 -","- C320 H248 N16 O136 P10 Si4 W40 -","- C1280 H992 N64 O544 P40 Si16 W160 -","4","0.5","","Yamaguchi, Masahiro; Yonesato, Kentaro; Shioya, Kaito; Li, Chifeng; Murata, Kei; Ishii, Kazuyuki; Yamaguchi, Kazuya; Suzuki, Kosuke","Engineering cofacial porphyrin dimers using lacunary polyoxotungstates","Chemical Science","2025","16","21","9178","9185","10.1039/D5SC00814J","","x-ray","0.4124","synchrotron","","0.1008","0.0824","","","0.2045","0.2181","","","","","","1.064","","","","has coordinates,has disorder","300662","2025-07-06","14:45:01",""
"1574476","28.75606","0.00013","31.5544","0.0002","34.30222","0.00019","66.2043","0.0006","85.0443","0.0004","69.9358","0.0005","26701.7","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C100 H68 N20 O124 Si4 W36 -","- C100 H68 N20 O124 Si4 W36 -","- C200 H136 N40 O248 Si8 W72 -","2","1","","Yamaguchi, Masahiro; Yonesato, Kentaro; Shioya, Kaito; Li, Chifeng; Murata, Kei; Ishii, Kazuyuki; Yamaguchi, Kazuya; Suzuki, Kosuke","Engineering cofacial porphyrin dimers using lacunary polyoxotungstates","Chemical Science","2025","16","21","9178","9185","10.1039/D5SC00814J","","x-ray","0.4132","synchrotron","","0.0412","0.0365","","","0.1029","0.1054","","","","","","1.079","","","","has coordinates","300662","2025-07-06","14:45:01",""
"1574477","12.7494","0.0005","13.2904","0.0006","13.4525","0.0005","107.357","0.001","101.738","0.001","118.165","0.001","1750.18","0.13","150","2","150","","","","","","","","","6","P -1","-P 1","2","","SIFSIX-bidmb-Cu","","- C28 H28 Cu F6 N8 Si -","- C28 H28 Cu F6 N8 Si -","- C56 H56 Cu2 F12 N16 Si2 -","2","1","","Song, Bai-Qiao; Gao, Mei-Yan; Mercene van Wyk, Lisa; Deng, Cheng-Hua; Eaby, Alan C.; Wang, Shi-Qiang; Darwish, Shaza; Li, Dan; Qin, Shao-Jie; Peng, Yun-Lei; Yang, Qing-Yuan; Barbour, Leonard J.; Zaworotko, Michael J.","A new type of C2H2 binding site in a cis-bridging hexafluorosilicate ultramicroporous material that offers trace C2H2 capture","Chemical Science","2025","16","20","9010","9019","10.1039/D5SC00697J","","","0.71073","MoKα","","0.0333","0.0276","","","0.0682","0.0709","","","","","","1.042","","","","has coordinates","300627","2025-07-06","14:28:06",""
"1574478","12.5516","0.0007","13.1903","0.0007","13.4732","0.0007","61.077","0.003","77.461","0.003","62.358","0.003","1729.48","0.18","298","2","298","2","","","","","","","","6","P -1","-P 1","2","SIFSIX-bidmb-Cu_act","","","- C28 H28 Cu F6 N8 Si -","- C28.336 H28.123 Cu F6 N8.096 Si -","- C56.672 H56.246 Cu2 F12 N16.192 Si2 -","2","1","","Song, Bai-Qiao; Gao, Mei-Yan; Mercene van Wyk, Lisa; Deng, Cheng-Hua; Eaby, Alan C.; Wang, Shi-Qiang; Darwish, Shaza; Li, Dan; Qin, Shao-Jie; Peng, Yun-Lei; Yang, Qing-Yuan; Barbour, Leonard J.; Zaworotko, Michael J.","A new type of C2H2 binding site in a cis-bridging hexafluorosilicate ultramicroporous material that offers trace C2H2 capture","Chemical Science","2025","16","20","9010","9019","10.1039/D5SC00697J","","","0.71073","MoKα","","0.0707","0.0474","","","0.1232","0.1378","","","","","","1.054","","","","has coordinates,has disorder","300627","2025-07-06","14:28:07",""
"1574479","12.5344","0.0002","13.1083","0.0003","13.456","0.0003","60.939","0.002","77.661","0.002","62.396","0.002","1712.38","0.08","99.98","0.1","99.98","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C31 H29 Cu F6 N8 Si -","- C31 H29 Cu F6 N8 Si -","- C62 H58 Cu2 F12 N16 Si2 -","2","1","","Song, Bai-Qiao; Gao, Mei-Yan; Mercene van Wyk, Lisa; Deng, Cheng-Hua; Eaby, Alan C.; Wang, Shi-Qiang; Darwish, Shaza; Li, Dan; Qin, Shao-Jie; Peng, Yun-Lei; Yang, Qing-Yuan; Barbour, Leonard J.; Zaworotko, Michael J.","A new type of C2H2 binding site in a cis-bridging hexafluorosilicate ultramicroporous material that offers trace C2H2 capture","Chemical Science","2025","16","20","9010","9019","10.1039/D5SC00697J","","x-ray","1.54184","CuKα","","0.0491","0.0459","","","0.1236","0.1259","","","","","","1.066","","","","has coordinates","300627","2025-07-06","14:28:07",""
"1574480","12.9047","0.0004","13.317","0.0004","13.4147","0.0004","107.942","0.001","101.071","0.001","118.191","0.001","1769.51","0.1","298","2","298","2","","","","","","","","6","P -1","-P 1","2","C2H2@SIFSIX-bidmb-Cu_act_in-situ","","","- C28 H28 Cu F6 N8 Si -","- C28 H28 Cu F6 N8 Si -","- C56 H56 Cu2 F12 N16 Si2 -","2","1","","Song, Bai-Qiao; Gao, Mei-Yan; Mercene van Wyk, Lisa; Deng, Cheng-Hua; Eaby, Alan C.; Wang, Shi-Qiang; Darwish, Shaza; Li, Dan; Qin, Shao-Jie; Peng, Yun-Lei; Yang, Qing-Yuan; Barbour, Leonard J.; Zaworotko, Michael J.","A new type of C2H2 binding site in a cis-bridging hexafluorosilicate ultramicroporous material that offers trace C2H2 capture","Chemical Science","2025","16","20","9010","9019","10.1039/D5SC00697J","","","0.71073","MoKα","","0.0581","0.038","","","0.0825","0.0897","","","","","","1.016","","","","has coordinates","300627","2025-07-06","14:28:07",""
"1574481","12.5027","0.0002","13.1215","0.0002","13.376","0.0002","61.138","0.002","77.684","0.001","62.477","0.002","1704.18","0.06","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C28 H26 Cu F6 N8 Si -","- C28 H26 Cu F6 N8 Si -","- C56 H52 Cu2 F12 N16 Si2 -","2","1","","Song, Bai-Qiao; Gao, Mei-Yan; Mercene van Wyk, Lisa; Deng, Cheng-Hua; Eaby, Alan C.; Wang, Shi-Qiang; Darwish, Shaza; Li, Dan; Qin, Shao-Jie; Peng, Yun-Lei; Yang, Qing-Yuan; Barbour, Leonard J.; Zaworotko, Michael J.","A new type of C2H2 binding site in a cis-bridging hexafluorosilicate ultramicroporous material that offers trace C2H2 capture","Chemical Science","2025","16","20","9010","9019","10.1039/D5SC00697J","","x-ray","1.54184","CuKα","","0.0428","0.0416","","","0.1069","0.1078","","","","","","1.046","","","","has coordinates,has disorder","300627","2025-07-06","14:28:07",""
"1574482","12.7993","0.0004","13.3073","0.0005","13.4067","0.0005","107.373","0.002","101.567","0.002","118.29","0.002","1752.9","0.13","298","2","298","2","","","","","","","","6","P -1","-P 1","2","C2H4@SIFSIX-bidmb-Cu_act_in-situ","","","- C28 H28 Cu F6 N8 Si -","- C28 H28 Cu F6 N8 Si -","- C56 H56 Cu2 F12 N16 Si2 -","2","1","","Song, Bai-Qiao; Gao, Mei-Yan; Mercene van Wyk, Lisa; Deng, Cheng-Hua; Eaby, Alan C.; Wang, Shi-Qiang; Darwish, Shaza; Li, Dan; Qin, Shao-Jie; Peng, Yun-Lei; Yang, Qing-Yuan; Barbour, Leonard J.; Zaworotko, Michael J.","A new type of C2H2 binding site in a cis-bridging hexafluorosilicate ultramicroporous material that offers trace C2H2 capture","Chemical Science","2025","16","20","9010","9019","10.1039/D5SC00697J","","","0.71073","MoKα","","0.0691","0.0443","","","0.1043","0.115","","","","","","1.034","","","","has coordinates","300627","2025-07-06","14:28:07",""
"1574483","12.6837","0.0005","13.3315","0.0009","13.4082","0.0005","107.043","0.003","101.918","0.002","118.388","0.003","1738.32","0.18","298","2","298","2","","","","","","","","6","P -1","-P 1","2","CO2@SIFSIX-bidmb-Cu_act_in-situ","","","- C28 H28 Cu F6 N8 Si -","- C28.1302 H28.1302 Cu F6 N8.0372 Si -","- C56.2604 H56.2604 Cu2 F12 N16.0744 Si2 -","2","1","","Song, Bai-Qiao; Gao, Mei-Yan; Mercene van Wyk, Lisa; Deng, Cheng-Hua; Eaby, Alan C.; Wang, Shi-Qiang; Darwish, Shaza; Li, Dan; Qin, Shao-Jie; Peng, Yun-Lei; Yang, Qing-Yuan; Barbour, Leonard J.; Zaworotko, Michael J.","A new type of C2H2 binding site in a cis-bridging hexafluorosilicate ultramicroporous material that offers trace C2H2 capture","Chemical Science","2025","16","20","9010","9019","10.1039/D5SC00697J","","","0.71073","MoKα","","0.0999","0.0604","","","0.1215","0.1362","","","","","","1.045","","","","has coordinates,has disorder","300627","2025-07-06","14:28:07",""
"1574484","9.7465","0.0001","10.1714","0.0001","21.346","0.0002","89.847","0.001","85.104","0.001","75.293","0.001","2038.95","0.04","101","2","101","2","","","","","","","","4","P -1","-P 1","2","","Phen-Tpa","","- C110 H92 N8 O4.5 -","- C110 H90.588 N8 O5.168 -","- C110 H90.588 N8 O5.168 -","1","0.5","","Cai, Xian-Bao; Liang, Dong; Zhang, Deng-Chao; Jia, Ji-Hui; Wu, Xiao-Yuan; Lu, Can-Zhong","Achieving dual emission of thermally activated delayed fluorescence and ultralong room-temperature phosphorescence by controlling excited state dynamics through metal coordination","Chemical Science","2025","16","22","9802","9808","10.1039/D5SC00555H","","x-ray","1.3405","micro-focusmetaljet","","0.0408","0.0376","","","0.093","0.0957","","","","","","1.029","","","","has coordinates","300560","2025-07-06","13:57:26",""
"1574485","12.9145","0.0002","15.9498","0.0002","19.2708","0.0004","77.098","0.001","81.031","0.002","77.688","0.001","3755.75","0.11","100","0.1","100","0.1","","","","","","","","8","P -1","-P 1","2","","Ag+DTPA","","- C94 H74 Ag B F4 N4 O P2 -","- C94 H74 Ag B F4 N4 O P2 -","- C188 H148 Ag2 B2 F8 N8 O2 P4 -","2","1","","Cai, Xian-Bao; Liang, Dong; Zhang, Deng-Chao; Jia, Ji-Hui; Wu, Xiao-Yuan; Lu, Can-Zhong","Achieving dual emission of thermally activated delayed fluorescence and ultralong room-temperature phosphorescence by controlling excited state dynamics through metal coordination","Chemical Science","2025","16","22","9802","9808","10.1039/D5SC00555H","","x-ray","1.3405","GaKα","","0.0433","0.0339","","","0.0824","0.0852","","","","","","1.044","","","","has coordinates","300560","2025-07-06","13:57:35",""
"1574486","11.056","0.0003","12.0361","0.0002","12.1017","0.0003","105.769","0.002","104.054","0.002","116.448","0.002","1257.78","0.07","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C47 H34 Cl10 F12 Sb2 -","- C47 H34 Cl10 F12 Sb2 -","- C47 H34 Cl10 F12 Sb2 -","1","0.5","","Kai, Nobushige; Kono, Hideya; Stünkel, Timo; Imoto, Daiki; Zanasi, Riccardo; Monaco, Guglielmo; Summa, Francesco F.; Scott, Lawrence T.; Yagi, Akiko; Itami, Kenichiro","Stable cationic nanobelts synthesized by chemical oxidation of methylene-bridged [6]cycloparaphenylene","Chemical Science","2025","16","21","9195","9202","10.1039/D5SC01305D","","x-ray","0.71073","MoKα","","0.029","0.0259","","","0.0629","0.0639","","","","","","1.04","","","","has coordinates,has disorder","300669","2025-07-06","14:47:04",""
"1574487","10.2082","0.0011","10.3206","0.0009","10.8736","0.0009","95.963","0.007","114.424","0.01","96.569","0.008","1021.64","0.19","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H24 B10 O -","- C17 H24 B10 O -","- C34 H48 B20 O2 -","2","1","","Cao, Hou-Ji; Li, Jia-Xin; Yan, Jia-Hui; Liu, Miao-Xin; Zhao, Qianyi; Zhang, Jie; Zhang, Ju; Yan, Hong","Post-coordination of Ru(ii) controlled regioselective B(4)–H acylmethylation of o-carboranes with sulfoxonium ylides","Chemical Science","2025","16","21","9406","9412","10.1039/D5SC01576F","","x-ray","1.54184","CuKα","","0.0952","0.0701","","","0.2045","0.2243","","","","","","1.104","","","","has coordinates","300668","2025-07-06","14:46:48",""
"1574488","20.4669","0.0002","12.00586","0.00015","28.6857","0.0003","90","","90","","90","","7048.73","0.13","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H38 B20 O5 Ru -","- C24 H38 B20 O5 Ru -","- C192 H304 B160 O40 Ru8 -","8","1","","Cao, Hou-Ji; Li, Jia-Xin; Yan, Jia-Hui; Liu, Miao-Xin; Zhao, Qianyi; Zhang, Jie; Zhang, Ju; Yan, Hong","Post-coordination of Ru(ii) controlled regioselective B(4)–H acylmethylation of o-carboranes with sulfoxonium ylides","Chemical Science","2025","16","21","9406","9412","10.1039/D5SC01576F","","x-ray","1.54184","CuKα","","0.0683","0.0527","","","0.1459","0.1612","","","","","","1.027","","","","has coordinates","300668","2025-07-06","14:46:48",""
"1574489","10.0973","0.0004","10.5194","0.0003","10.8504","0.0005","103.664","0.003","111.893","0.004","96.953","0.003","1010.78","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H21 B10 N O3 -","- C16 H21 B10 N O3 -","- C32 H42 B20 N2 O6 -","2","1","","Cao, Hou-Ji; Li, Jia-Xin; Yan, Jia-Hui; Liu, Miao-Xin; Zhao, Qianyi; Zhang, Jie; Zhang, Ju; Yan, Hong","Post-coordination of Ru(ii) controlled regioselective B(4)–H acylmethylation of o-carboranes with sulfoxonium ylides","Chemical Science","2025","16","21","9406","9412","10.1039/D5SC01576F","","x-ray","1.54184","CuKα","","0.0709","0.0629","","","0.1732","0.1813","","","","","","1.074","","","","has coordinates","300668","2025-07-06","14:46:48",""
"1574490","10.5191","0.0002","10.8321","0.0003","18.0396","0.0004","90","","98.262","0.002","90","","2034.17","0.08","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H21 B10 Br O -","- C16 H21 B10 Br O -","- C64 H84 B40 Br4 O4 -","4","1","","Cao, Hou-Ji; Li, Jia-Xin; Yan, Jia-Hui; Liu, Miao-Xin; Zhao, Qianyi; Zhang, Jie; Zhang, Ju; Yan, Hong","Post-coordination of Ru(ii) controlled regioselective B(4)–H acylmethylation of o-carboranes with sulfoxonium ylides","Chemical Science","2025","16","21","9406","9412","10.1039/D5SC01576F","","x-ray","1.54184","CuKα","","0.0529","0.0465","","","0.1255","0.1326","","","","","","1.032","","","","has coordinates","300668","2025-07-06","14:46:48",""
"1574491","30.145","0.003","15.0646","0.0013","21.593","0.003","90","","132.881","0.002","90","","7185.4","1.4","200","","200","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H22 N2 Si -","- C20 H22 N2 Si -","- C320 H352 N32 Si16 -","16","2","","Saadi, Lamine; Valade, Loïc; Chauvier, Clément","Catalytic alkoxysilylation of C–H bonds with tert-butyl-substituted alkoxysilyldiazenes","Chemical Science","2025","16","22","9794","9801","10.1039/D5SC02059J","","x-ray","0.71073","MoKα","","0.1159","0.0509","","","0.1154","0.144","","","","","","0.922","","","","has coordinates","300558","2025-07-06","13:56:27",""
"1574492","6.8159","0.0008","10.7178","0.0011","12.2818","0.0013","78.849","0.004","85.474","0.004","86.837","0.004","876.79","0.17","200","1","200","1","","","","","","","","5","P -1","-P 1","2","","","","- C18 H23 F O Si -","- C18 H23 F O Si -","- C36 H46 F2 O2 Si2 -","2","1","","Saadi, Lamine; Valade, Loïc; Chauvier, Clément","Catalytic alkoxysilylation of C–H bonds with tert-butyl-substituted alkoxysilyldiazenes","Chemical Science","2025","16","22","9794","9801","10.1039/D5SC02059J","","","0.71073","MoKα","","0.1321","0.0765","","","0.1256","0.1436","","","","","","1.033","","","","has coordinates","300558","2025-07-06","13:56:28",""
"1574493","10.7944","0.0004","14.744","0.0006","17.168","0.0007","90","","108.135","0.001","90","","2596.61","0.18","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H31 Cl4 N4 P3 -","- C20 H31 Cl4 N4 P3 -","- C80 H124 Cl16 N16 P12 -","4","1","","LaPierre, Etienne A.; Suvinen, Roope A.; Patrick, Brian O.; Tuononen, Heikki M.; Manners, Ian","Multi-site reduction of hexachlorophosphazene to low-valent PN heterocycles and extension to the reduction of poly-chlorophosphazene","Chemical Science","2025","16","22","9820","9832","10.1039/D4SC07559E","","","0.71073","MoKα","","0.0399","0.0277","","","0.0665","0.0715","","","","","","1.022","","","","has coordinates","300551","2025-07-06","13:49:21",""
"1574494","12.298","0.003","14.467","0.004","15.947","0.004","90","","101.842","0.003","90","","2776.8","1.2","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C20 H31 Cl4 N4 P3 Se -","- C20 H31 Cl4 N4 P3 Se -","- C80 H124 Cl16 N16 P12 Se4 -","4","1","","LaPierre, Etienne A.; Suvinen, Roope A.; Patrick, Brian O.; Tuononen, Heikki M.; Manners, Ian","Multi-site reduction of hexachlorophosphazene to low-valent PN heterocycles and extension to the reduction of poly-chlorophosphazene","Chemical Science","2025","16","22","9820","9832","10.1039/D4SC07559E","","","0.71073","MoKα","","0.0445","0.0356","","","0.0751","0.0783","","","","","","1.027","","","","has coordinates","300551","2025-07-06","13:49:33",""
"1574495","8.9486","0.0002","16.9933","0.0005","18.8866","0.0005","90","","90.791","0.002","90","","2871.74","0.13","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H31 Au Cl5 N4 P3 -","- C20 H31 Au Cl5 N4 P3 -","- C80 H124 Au4 Cl20 N16 P12 -","4","1","","LaPierre, Etienne A.; Suvinen, Roope A.; Patrick, Brian O.; Tuononen, Heikki M.; Manners, Ian","Multi-site reduction of hexachlorophosphazene to low-valent PN heterocycles and extension to the reduction of poly-chlorophosphazene","Chemical Science","2025","16","22","9820","9832","10.1039/D4SC07559E","","","0.71073","MoKα","","0.0333","0.0239","","","0.0524","0.0554","","","","","","1.036","","","","has coordinates","300551","2025-07-06","13:49:43",""
"1574496","12.3147","0.0008","14.3846","0.0009","15.9115","0.001","90","","101.938","0.002","90","","2757.6","0.3","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C20 H31 Cl4 N4 P3 S -","- C20 H31 Cl4 N4 P3 S -","- C80 H124 Cl16 N16 P12 S4 -","4","1","","LaPierre, Etienne A.; Suvinen, Roope A.; Patrick, Brian O.; Tuononen, Heikki M.; Manners, Ian","Multi-site reduction of hexachlorophosphazene to low-valent PN heterocycles and extension to the reduction of poly-chlorophosphazene","Chemical Science","2025","16","22","9820","9832","10.1039/D4SC07559E","","","0.71073","Mokα","","0.0208","0.0195","","","0.0467","0.0474","","","","","","1.03","","","","has coordinates","300551","2025-07-06","13:49:52",""
"1574497","9.5514","0.0002","14.4875","0.0004","16.241","0.0004","93.285","0.001","93.598","0.001","109.054","0.001","2112.83","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H62 Cl2 N5 P3 -","- C40 H62 Cl2 N5 P3 -","- C80 H124 Cl4 N10 P6 -","2","1","","LaPierre, Etienne A.; Suvinen, Roope A.; Patrick, Brian O.; Tuononen, Heikki M.; Manners, Ian","Multi-site reduction of hexachlorophosphazene to low-valent PN heterocycles and extension to the reduction of poly-chlorophosphazene","Chemical Science","2025","16","22","9820","9832","10.1039/D4SC07559E","","","0.71073","MoKα","","0.0743","0.0409","","","0.0833","0.0937","","","","","","1.007","","","","has coordinates","300551","2025-07-06","13:50:02",""
"1574498","20.7075","0.0017","16.7414","0.0014","21.1042","0.0018","90","","90","","90","","7316.2","1.1","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H46 Cl5 N4 P3 Ru -","- C30 H46 Cl5 N4 P3 Ru -","- C240 H368 Cl40 N32 P24 Ru8 -","8","1","","LaPierre, Etienne A.; Suvinen, Roope A.; Patrick, Brian O.; Tuononen, Heikki M.; Manners, Ian","Multi-site reduction of hexachlorophosphazene to low-valent PN heterocycles and extension to the reduction of poly-chlorophosphazene","Chemical Science","2025","16","22","9820","9832","10.1039/D4SC07559E","","","0.71073","Mokα","","0.0386","0.0273","","","0.0598","0.0654","","","","","","1.044","","","","has coordinates","300551","2025-07-06","13:50:08",""
"1574499","11.5068","0.0011","15.2965","0.0015","16.8157","0.0016","115.819","0.003","91.208","0.003","106.688","0.003","2515.2","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H61 Cl4 N4 P3 Ru2 -","- C40 H61 Cl4 N4 P3 Ru2 -","- C80 H122 Cl8 N8 P6 Ru4 -","2","1","","LaPierre, Etienne A.; Suvinen, Roope A.; Patrick, Brian O.; Tuononen, Heikki M.; Manners, Ian","Multi-site reduction of hexachlorophosphazene to low-valent PN heterocycles and extension to the reduction of poly-chlorophosphazene","Chemical Science","2025","16","22","9820","9832","10.1039/D4SC07559E","","","0.71073","Mokα","","0.0653","0.0351","","","0.068","0.0768","","","","","","1.004","","","","has coordinates","300551","2025-07-06","13:50:17",""
"1574500","22.017","0.003","14.1311","0.0018","20.335","0.003","90","","117.405","0.0017","90","","5616.7","1.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H46 Cl N Ru -","- C30 H46 Cl N Ru -","- C240 H368 Cl8 N8 Ru8 -","8","2","","LaPierre, Etienne A.; Suvinen, Roope A.; Patrick, Brian O.; Tuononen, Heikki M.; Manners, Ian","Multi-site reduction of hexachlorophosphazene to low-valent PN heterocycles and extension to the reduction of poly-chlorophosphazene","Chemical Science","2025","16","22","9820","9832","10.1039/D4SC07559E","","","0.71073","Mokα","","0.0444","0.0296","","","0.0559","0.0614","","","","","","1.039","","","","has coordinates","300551","2025-07-06","13:50:19",""
"1574501","17.9105","0.0007","9.9902","0.0004","25.0966","0.001","90","","100.54","0.002","90","","4414.8","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H62 Cl2 N5 P3 Se2 -","- C40 H62 Cl2 N5 P3 Se2 -","- C160 H248 Cl8 N20 P12 Se8 -","4","0.5","","LaPierre, Etienne A.; Suvinen, Roope A.; Patrick, Brian O.; Tuononen, Heikki M.; Manners, Ian","Multi-site reduction of hexachlorophosphazene to low-valent PN heterocycles and extension to the reduction of poly-chlorophosphazene","Chemical Science","2025","16","22","9820","9832","10.1039/D4SC07559E","","","0.71073","MoKα","","0.0675","0.0399","","","0.0807","0.0892","","","","","","1.019","","","","has coordinates","300551","2025-07-06","13:50:27",""
"1574505","8.2351","0.0001","12.2203","0.0001","24.1907","0.0002","90","","90","","90","","2434.44","0.04","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C10 H15 B N2 O Si -","- C10 H15 B N2 O Si -","- C80 H120 B8 N16 O8 Si8 -","8","1","","Wüst, Leonie; Scheuring, Lea; Wellnitz, Tim; Radacki, Krzysztof; Braunschweig, Holger","Alkali metal salts of 1,2,3-benzodiazaborines: platforms for late-stage N-functionalization and metal complexation","Chemical Science","2025","16","22","9934","9942","10.1039/D5SC01395J","","x-ray","1.54184","CuKα","K-L~2,3~","0.0297","0.029","","","0.0801","0.0807","","","","","","1.055","","","","has coordinates","300554","2025-07-06","13:52:58",""
"1574506","12.7968","0.0003","5.9025","0.0002","17.2316","0.0004","90","","103.002","0.002","90","","1268.19","0.06","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H15 B N2 O3 -","- C12 H15 B N2 O3 -","- C48 H60 B4 N8 O12 -","4","1","","Wüst, Leonie; Scheuring, Lea; Wellnitz, Tim; Radacki, Krzysztof; Braunschweig, Holger","Alkali metal salts of 1,2,3-benzodiazaborines: platforms for late-stage N-functionalization and metal complexation","Chemical Science","2025","16","22","9934","9942","10.1039/D5SC01395J","","x-ray","1.54184","CuKα","K-L~2,3~","0.049","0.0403","","","0.105","0.1102","","","","","","1.041","","","","has coordinates","300554","2025-07-06","13:53:00",""
"1574507","8.3573","0.0002","10.356","0.0003","17.9111","0.0005","90","","94.531","0.002","90","","1545.33","0.07","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H21 B N2 -","- C18 H21 B N2 -","- C72 H84 B4 N8 -","4","1","","Wüst, Leonie; Scheuring, Lea; Wellnitz, Tim; Radacki, Krzysztof; Braunschweig, Holger","Alkali metal salts of 1,2,3-benzodiazaborines: platforms for late-stage N-functionalization and metal complexation","Chemical Science","2025","16","22","9934","9942","10.1039/D5SC01395J","","x-ray","1.54184","CuKα","K-L~2,3~","0.0689","0.0582","","","0.1651","0.1731","","","","","","1.071","","","","has coordinates","300554","2025-07-06","13:53:08",""
"1574508","11.843","0.002","19.898","0.004","12.41","0.003","90","","107.45","0.02","90","","2789.9","1","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C59 H70 Ag3 B3 N6 O2 -","- C59 H70 Ag3 B3 N6 O2 -","- C118 H140 Ag6 B6 N12 O4 -","2","1","","Wüst, Leonie; Scheuring, Lea; Wellnitz, Tim; Radacki, Krzysztof; Braunschweig, Holger","Alkali metal salts of 1,2,3-benzodiazaborines: platforms for late-stage N-functionalization and metal complexation","Chemical Science","2025","16","22","9934","9942","10.1039/D5SC01395J","","x-ray","1.54184","CuKα","K-L~2,3~","0.0641","0.0631","","","0.1705","0.1719","","","","","","1.039","","","","has coordinates","300554","2025-07-06","13:53:10",""
"1574509","7.6003","0.0002","7.2677","0.0002","12.3523","0.0003","90","","96.378","0.002","90","","678.08","0.03","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H7 B N2 O -","- C7 H7 B N2 O -","- C28 H28 B4 N8 O4 -","4","1","","Wüst, Leonie; Scheuring, Lea; Wellnitz, Tim; Radacki, Krzysztof; Braunschweig, Holger","Alkali metal salts of 1,2,3-benzodiazaborines: platforms for late-stage N-functionalization and metal complexation","Chemical Science","2025","16","22","9934","9942","10.1039/D5SC01395J","","x-ray","1.54184","CuKα","K-L~2,3~","0.0418","0.0362","","","0.0935","0.0968","","","","","","1.038","","","","has coordinates","300554","2025-07-06","13:53:18",""
"1574510","18.1164","0.0002","12.6662","0.0001","17.0662","0.0002","90","","118.098","0.001","90","","3454.57","0.07","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H41 B3 Li N7 O3 -","- C35 H41 B3 Li N7 O3 -","- C140 H164 B12 Li4 N28 O12 -","4","1","","Wüst, Leonie; Scheuring, Lea; Wellnitz, Tim; Radacki, Krzysztof; Braunschweig, Holger","Alkali metal salts of 1,2,3-benzodiazaborines: platforms for late-stage N-functionalization and metal complexation","Chemical Science","2025","16","22","9934","9942","10.1039/D5SC01395J","","x-ray","1.54184","CuKα","K-L~2,3~","0.0699","0.0588","","","0.1584","0.1682","","","","","","1.058","","","","has coordinates,has disorder","300554","2025-07-06","13:53:20",""
"1574511","13.2068","0.0002","15.3061","0.0002","14.4664","0.0002","90","","106.609","0.001","90","","2802.3","0.07","100","2","100","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C52 H43 B6 K4 N17 O2 -","- C52 H43 B6 K4 N17 O2 -","- C104 H86 B12 K8 N34 O4 -","2","0.5","","Wüst, Leonie; Scheuring, Lea; Wellnitz, Tim; Radacki, Krzysztof; Braunschweig, Holger","Alkali metal salts of 1,2,3-benzodiazaborines: platforms for late-stage N-functionalization and metal complexation","Chemical Science","2025","16","22","9934","9942","10.1039/D5SC01395J","","x-ray","1.54184","CuKα","K-L~2,3~","0.0611","0.0554","","","0.1583","0.1638","","","","","","1.046","","","","has coordinates,has disorder","300554","2025-07-06","13:53:29",""
"1574512","12.2579","0.0001","14.7917","0.0002","14.9932","0.0003","119.224","0.002","97.468","0.001","92.874","0.001","2332","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H19 B N2 -","- C17 H19 B N2 -","- C102 H114 B6 N12 -","6","3","","Wüst, Leonie; Scheuring, Lea; Wellnitz, Tim; Radacki, Krzysztof; Braunschweig, Holger","Alkali metal salts of 1,2,3-benzodiazaborines: platforms for late-stage N-functionalization and metal complexation","Chemical Science","2025","16","22","9934","9942","10.1039/D5SC01395J","","x-ray","1.54184","CuKα","K-L~2,3~","0.0716","0.0606","","","0.1838","0.1973","","","","","","1.046","","","","has coordinates","300554","2025-07-06","13:53:30",""
"1574513","6.7806","0.0002","19.1991","0.0007","22.5503","0.0006","83.564","0.003","85.956","0.002","83.743","0.002","2894.7","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H27 B N2 Si -","- C20 H27 B N2 Si -","- C120 H162 B6 N12 Si6 -","6","3","","Wüst, Leonie; Scheuring, Lea; Wellnitz, Tim; Radacki, Krzysztof; Braunschweig, Holger","Alkali metal salts of 1,2,3-benzodiazaborines: platforms for late-stage N-functionalization and metal complexation","Chemical Science","2025","16","22","9934","9942","10.1039/D5SC01395J","","x-ray","1.54184","CuKα","K-L~2,3~","0.0817","0.0635","","","0.1667","0.1775","","","","","","1.073","","","","has coordinates","300554","2025-07-06","13:53:39",""
"1574514","12.05","0.005","14.853","0.007","15.153","0.007","82.33","0.04","87.07","0.04","83.93","0.03","2671","2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H63 Au3 B3 N6 -","- C60 H63 Au3 B3 N6 -","- C120 H126 Au6 B6 N12 -","2","1","","Wüst, Leonie; Scheuring, Lea; Wellnitz, Tim; Radacki, Krzysztof; Braunschweig, Holger","Alkali metal salts of 1,2,3-benzodiazaborines: platforms for late-stage N-functionalization and metal complexation","Chemical Science","2025","16","22","9934","9942","10.1039/D5SC01395J","","x-ray","1.54184","CuKα","K-L~2,3~","0.0328","0.0295","","","0.0735","0.0755","","","","","","0.95","","","","has coordinates,has disorder","300554","2025-07-06","13:53:39",""
"1574515","15.0166","0.0002","16.5087","0.0003","19.7579","0.0004","70.547","0.002","74.162","0.002","76.507","0.002","4388.02","0.15","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C86 H112 B4 Br2 Mg4 N8 O3 -","- C86 H112 B4 Br2 Mg4 N8 O3 -","- C172 H224 B8 Br4 Mg8 N16 O6 -","2","1","","Wüst, Leonie; Scheuring, Lea; Wellnitz, Tim; Radacki, Krzysztof; Braunschweig, Holger","Alkali metal salts of 1,2,3-benzodiazaborines: platforms for late-stage N-functionalization and metal complexation","Chemical Science","2025","16","22","9934","9942","10.1039/D5SC01395J","","x-ray","1.54184","CuKα","K-L~2,3~","0.0977","0.0787","","","0.222","0.2354","","","","","","1.088","","","","has coordinates,has disorder","300554","2025-07-06","13:53:39",""
"1574516","12.1298","0.0001","14.725","0.0002","19.7956","0.0002","89.493","0.001","81.215","0.001","81.463","0.001","3455.18","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H68 B2 Li2 N4 O4 -","- C50 H68 B2 Li2 N4 O4 -","- C150 H204 B6 Li6 N12 O12 -","3","1.5","","Wüst, Leonie; Scheuring, Lea; Wellnitz, Tim; Radacki, Krzysztof; Braunschweig, Holger","Alkali metal salts of 1,2,3-benzodiazaborines: platforms for late-stage N-functionalization and metal complexation","Chemical Science","2025","16","22","9934","9942","10.1039/D5SC01395J","","x-ray","1.54184","CuKα","K-L~2,3~","0.087","0.0768","","","0.2162","0.2279","","","","","","1.034","","","","has coordinates,has disorder","300554","2025-07-06","13:53:39",""
"1574517","14.941","0.0001","18.7016","0.0001","20.4482","0.0001","90","","110.607","0.001","90","","5348.07","0.06","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C64 H62 B4 N4 O4 -","- C64 H62 B4 N4 O4 -","- C256 H248 B16 N16 O16 -","4","1","","Wüst, Leonie; Scheuring, Lea; Wellnitz, Tim; Radacki, Krzysztof; Braunschweig, Holger","Alkali metal salts of 1,2,3-benzodiazaborines: platforms for late-stage N-functionalization and metal complexation","Chemical Science","2025","16","22","9934","9942","10.1039/D5SC01395J","","x-ray","1.54184","CuKα","K-L~2,3~","0.045","0.0379","","","0.0947","0.0996","","","","","","1.044","","","","has coordinates","300554","2025-07-06","13:53:39",""
"1574518","22.5318","0.0001","22.5318","0.0001","24.2167","0.0001","90","","90","","90","","12294.4","0.09","100","2","100","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C68 H72 B4 N8 Na4 -","- C68 H72 B4 N8 Na4 -","- C544 H576 B32 N64 Na32 -","8","1","","Wüst, Leonie; Scheuring, Lea; Wellnitz, Tim; Radacki, Krzysztof; Braunschweig, Holger","Alkali metal salts of 1,2,3-benzodiazaborines: platforms for late-stage N-functionalization and metal complexation","Chemical Science","2025","16","22","9934","9942","10.1039/D5SC01395J","","x-ray","1.54184","CuKα","K-L~2,3~","0.0379","0.0329","","","0.0892","0.0972","","","","","","1.076","","","","has coordinates","300554","2025-07-06","13:53:39",""
"1574519","13.503","0.0002","14.233","0.0002","21.0535","0.0002","83.073","0.001","73.678","0.001","66.26","0.001","3554.45","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C79 H90 B4 Li4 N8 -","- C79 H90 B4 Li4 N8 -","- C158 H180 B8 Li8 N16 -","2","1","","Wüst, Leonie; Scheuring, Lea; Wellnitz, Tim; Radacki, Krzysztof; Braunschweig, Holger","Alkali metal salts of 1,2,3-benzodiazaborines: platforms for late-stage N-functionalization and metal complexation","Chemical Science","2025","16","22","9934","9942","10.1039/D5SC01395J","","x-ray","1.54184","CuKα","K-L~2,3~","0.0671","0.0531","","","0.1497","0.1604","","","","","","1.064","","","","has coordinates","300554","2025-07-06","13:53:39",""
"1574520","22.279","","22.279","","25.8166","0.0001","90","","90","","90","","12814.2","0.05","100","2","100","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C68 H72 B4 K4 N8 -","- C68 H72 B4 K4 N8 -","- C544 H576 B32 K32 N64 -","8","1","","Wüst, Leonie; Scheuring, Lea; Wellnitz, Tim; Radacki, Krzysztof; Braunschweig, Holger","Alkali metal salts of 1,2,3-benzodiazaborines: platforms for late-stage N-functionalization and metal complexation","Chemical Science","2025","16","22","9934","9942","10.1039/D5SC01395J","","x-ray","1.54184","CuKα","K-L~2,3~","0.0264","0.0258","","","0.07","0.0703","","","","","","1.049","","","","has coordinates","300554","2025-07-06","13:53:39",""
"1574521","19.063","0.003","19.742","0.003","27.214","0.004","79.311","0.012","78.555","0.012","63.042","0.011","8894","3","293","2","293","2","","","","","","","","9","P -1","-P 1","2","","Pt1Ag11(C6HF4S)5(C21H21O3P)7","","- C358 H312 Ag22 Cl8 F40 O42 P14 Pt2 S10 -","- C179 H156 Ag11 Cl4 F20 O21 P7 Pt S5 -","- C358 H312 Ag22 Cl8 F40 O42 P14 Pt2 S10 -","2","1","","Tan, Dong; Ding, Tengfei; Shen, Kaidong; Xu, Chang; Jin, Shan; Hu, Daqiao; Sun, Song; Zhu, Manzhou","Icosahedron kernel defect in Pt1Agx series of bimetallic nanoclusters enhances photocatalytic hydrogen evolution","Chemical Science","2025","16","21","9326","9336","10.1039/D5SC01735A","","","1.54186","CuKα","","0.0919","0.0695","","","0.1888","0.2059","","","","","","1.033","","","","has coordinates","300665","2025-07-06","14:46:05",""
"1574522","14.2241","0.0007","11.8676","0.0006","14.8052","0.0008","90","","111.477","0.0016","90","","2325.7","0.2","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C27 H35 O4 -","- C27 H35 O4 -","- C108 H140 O16 -","4","1","","Hyun, Young Eum; Kweon, Jeonguk; Linh Phan, Thi Hieu; Kim, Dongwook; Han, Sunkyu","α-N-phthalimido-oxy isobutyrate-mediated deoxygenative arylation: total synthesis of alanenses A and B","Chemical Science","2025","16","22","9943","9950","10.1039/D5SC00341E","","","0.71073","MoKα","","0.0916","0.048","","","0.0998","0.1194","","","","","","1.04","","","","has coordinates,has disorder","300552","2025-07-06","13:50:51",""
"1574523","13.05","0.005","15.376","0.006","7.436","0.003","90","","103.521","0.014","90","","1450.7","1","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 O3 -","- C16 H22 O3 -","- C64 H88 O12 -","4","1","","Hyun, Young Eum; Kweon, Jeonguk; Linh Phan, Thi Hieu; Kim, Dongwook; Han, Sunkyu","α-N-phthalimido-oxy isobutyrate-mediated deoxygenative arylation: total synthesis of alanenses A and B","Chemical Science","2025","16","22","9943","9950","10.1039/D5SC00341E","","","0.71073","MoKα","","0.1244","0.0583","","","0.1027","0.1293","","","","","","1.082","","","","has coordinates","300552","2025-07-06","13:50:53",""
"1574524","6.6232","0.0008","15.1691","0.0017","18.739","0.002","90","","91.374","0.004","90","","1882.1","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 F3 O4 -","- C22 H19 F3 O4 -","- C88 H76 F12 O16 -","4","1","","Hyun, Young Eum; Kweon, Jeonguk; Linh Phan, Thi Hieu; Kim, Dongwook; Han, Sunkyu","α-N-phthalimido-oxy isobutyrate-mediated deoxygenative arylation: total synthesis of alanenses A and B","Chemical Science","2025","16","22","9943","9950","10.1039/D5SC00341E","","","0.71073","MoKα","","0.0906","0.0469","","","0.0867","0.1057","","","","","","1.066","","","","has coordinates","300552","2025-07-06","13:50:53",""
"1574525","8.6471","0.0016","11.616","0.002","11.779","0.002","91.132","0.006","107.559","0.006","99.486","0.006","1109.5","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H25 Cl3 O3 -","- C23 H25 Cl3 O3 -","- C46 H50 Cl6 O6 -","2","1","","Hyun, Young Eum; Kweon, Jeonguk; Linh Phan, Thi Hieu; Kim, Dongwook; Han, Sunkyu","α-N-phthalimido-oxy isobutyrate-mediated deoxygenative arylation: total synthesis of alanenses A and B","Chemical Science","2025","16","22","9943","9950","10.1039/D5SC00341E","","","0.71073","MoKα","","0.0875","0.0527","","","0.1144","0.1375","","","","","","1.038","","","","has coordinates,has disorder","300552","2025-07-06","13:50:53",""
"1574533","12.49474","0.00017","7.51825","0.00012","40.9329","0.0006","90","","90","","90","","3845.18","0.1","295.93","0.1","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H14 F2 N2 O2 Pt -","- C24 H14 F2 N2 O2 Pt -","- C192 H112 F16 N16 O16 Pt8 -","8","1","","Shi, Yingshuang; Tang, Ke; Zhang, Jincheng; Hu, Ping; Wang, Bi-Qin; Zhao, Ke-Qing; Zhou, Yuqiao; Xiang, Haifeng; Song, Jintong","Building metal-induced inherent chirality: chiral stability/phosphorescence enhancement via a ring expansion strategy of Pt(ii) complexes","Chemical Science","2025","16","21","9135","9142","10.1039/D5SC01121C","","","1.54184","CuKα","","0.0451","0.0418","","","0.1094","0.1116","","","","","","1.087","","","","has coordinates","300667","2025-07-06","14:46:35",""
"1574534","11.297","0.0007","11.9689","0.0007","12.4494","0.0007","90","","107.362","0.002","90","","1606.62","0.16","100","0.2","100","0.2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C39 H31 F2 N3 P Pt -","- C39 H31 F2 N3 P Pt -","- C78 H62 F4 N6 P2 Pt2 -","2","0.5","","Shi, Yingshuang; Tang, Ke; Zhang, Jincheng; Hu, Ping; Wang, Bi-Qin; Zhao, Ke-Qing; Zhou, Yuqiao; Xiang, Haifeng; Song, Jintong","Building metal-induced inherent chirality: chiral stability/phosphorescence enhancement via a ring expansion strategy of Pt(ii) complexes","Chemical Science","2025","16","21","9135","9142","10.1039/D5SC01121C","","x-ray","0.71073","MoKα","","0.0308","0.0278","","","0.0686","0.0703","","","","","","1.081","","","","has coordinates,has disorder","300667","2025-07-06","14:46:35",""
"1574535","11.2485","0.0009","13.3692","0.0011","13.834","0.0013","67.612","0.008","80.744","0.007","65.92","0.008","1756.2","0.3","293","2","293.15","","","","","","","","","7","P -1","-P 1","2","","","","- C36 H24 F2 N3 O P Pt -","- C36 H24 F2 N3 O P Pt -","- C72 H48 F4 N6 O2 P2 Pt2 -","2","1","","Shi, Yingshuang; Tang, Ke; Zhang, Jincheng; Hu, Ping; Wang, Bi-Qin; Zhao, Ke-Qing; Zhou, Yuqiao; Xiang, Haifeng; Song, Jintong","Building metal-induced inherent chirality: chiral stability/phosphorescence enhancement via a ring expansion strategy of Pt(ii) complexes","Chemical Science","2025","16","21","9135","9142","10.1039/D5SC01121C","","x-ray","0.71073","MoKα","","0.0947","0.0578","","","0.1131","0.1258","","","","","","0.971","","","","has coordinates","300667","2025-07-06","14:46:35",""
"1574536","11.7209","0.0003","12.2296","0.0003","12.3631","0.0003","80.842","0.001","74.977","0.001","72.509","0.001","1626.08","0.07","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H27 F3 N2 O3 P Pt -","- C38 H27 F3 N2 O3 P Pt -","- C76 H54 F6 N4 O6 P2 Pt2 -","2","1","","Shi, Yingshuang; Tang, Ke; Zhang, Jincheng; Hu, Ping; Wang, Bi-Qin; Zhao, Ke-Qing; Zhou, Yuqiao; Xiang, Haifeng; Song, Jintong","Building metal-induced inherent chirality: chiral stability/phosphorescence enhancement via a ring expansion strategy of Pt(ii) complexes","Chemical Science","2025","16","21","9135","9142","10.1039/D5SC01121C","","","1.54178","CuKα","","0.0472","0.0412","","","0.0919","0.0953","","","","","","1.119","","","","has coordinates","301209","2025-07-10","11:18:53",""
"1574537","12.1153","0.0008","12.2147","0.0008","13.0461","0.0009","75.692","0.002","73.659","0.002","61.642","0.002","1615.52","0.19","100","0.2","100","0.2","","","","","","","","8","P -1","-P 1","2","","","","- C38 H27 F3 N3 O P Pt S -","- C38 H27 F3 N3 O P Pt S -","- C76 H54 F6 N6 O2 P2 Pt2 S2 -","2","1","","Shi, Yingshuang; Tang, Ke; Zhang, Jincheng; Hu, Ping; Wang, Bi-Qin; Zhao, Ke-Qing; Zhou, Yuqiao; Xiang, Haifeng; Song, Jintong","Building metal-induced inherent chirality: chiral stability/phosphorescence enhancement via a ring expansion strategy of Pt(ii) complexes","Chemical Science","2025","16","21","9135","9142","10.1039/D5SC01121C","","x-ray","0.71073","MoKα","","0.0318","0.0262","","","0.0546","0.0564","","","","","","1.046","","","","has coordinates","300667","2025-07-06","14:46:35",""
"1574538","12.972","0.002","22.815","0.004","14.119","0.003","90","","91.864","0.007","90","","4176.4","1.3","100","0.2","100","0.2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C50 H45 F3 N3 O3 P Pt -","- C44 H31 F3 N3 O3 P Pt -","- C176 H124 F12 N12 O12 P4 Pt4 -","4","1","","Shi, Yingshuang; Tang, Ke; Zhang, Jincheng; Hu, Ping; Wang, Bi-Qin; Zhao, Ke-Qing; Zhou, Yuqiao; Xiang, Haifeng; Song, Jintong","Building metal-induced inherent chirality: chiral stability/phosphorescence enhancement via a ring expansion strategy of Pt(ii) complexes","Chemical Science","2025","16","21","9135","9142","10.1039/D5SC01121C","","x-ray","0.71073","MoKα","","0.0701","0.0438","","","0.0929","0.1029","","","","","","1.043","","","","has coordinates","300667","2025-07-06","14:46:35",""
"1574539","12.223","0.002","14.921","0.003","18.193","0.004","101.507","0.007","97.929","0.007","95.935","0.007","3190.8","1.1","100","0.2","100","0.2","","","","","","","","8","P -1","-P 1","2","","","","- C37 H26 Cl2 F2 N3 P Pt S -","- C36.5 H25 Cl F2 N3 P Pt S -","- C146 H100 Cl4 F8 N12 P4 Pt4 S4 -","4","2","","Shi, Yingshuang; Tang, Ke; Zhang, Jincheng; Hu, Ping; Wang, Bi-Qin; Zhao, Ke-Qing; Zhou, Yuqiao; Xiang, Haifeng; Song, Jintong","Building metal-induced inherent chirality: chiral stability/phosphorescence enhancement via a ring expansion strategy of Pt(ii) complexes","Chemical Science","2025","16","21","9135","9142","10.1039/D5SC01121C","","x-ray","0.71073","MoKα","","0.0539","0.0381","","","0.0883","0.0956","","","","","","1.034","","","","has coordinates","300667","2025-07-06","14:46:35",""
"1574540","34.8651","0.0007","29.9134","0.0006","11.7879","0.0002","90","","90","","90","","12294","0.4","170","2","170","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C137.5 H141 Cl5 O2 -","- C137.5 H136 Cl5 O2 -","- C550 H544 Cl20 O8 -","4","1","","Li, Zhi-Ao; Zhu, Ke-Lin; Yao, Nai-Te; Liang, Jiaqi; Shang, Yi-Ling; Zhang, Ye; Gong, Han-Yuan","Enantiomer-enriched π-extended helicenes with a perylene core from binaphthol: axial-to-helical chirality transfer with a stepwise Scholl reaction mechanism","Chemical Science","2025","16","22","9978","9987","10.1039/D5SC01498K","","","1.54184","CuKα","","0.0973","0.0863","","","0.1943","0.2012","","","","","","0.985","","","","has coordinates,has disorder","300557","2025-07-06","13:55:54",""
"1574541","35.148","0.0004","30.1006","0.0004","11.795","0.0002","90","","90","","90","","12478.8","0.3","170","2","170","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C135.75 H143 Cl1.5 O4.75 -","- C135.75 H137.5 Cl1.5 O4.75 -","- C543 H550 Cl6 O19 -","4","1","","Li, Zhi-Ao; Zhu, Ke-Lin; Yao, Nai-Te; Liang, Jiaqi; Shang, Yi-Ling; Zhang, Ye; Gong, Han-Yuan","Enantiomer-enriched π-extended helicenes with a perylene core from binaphthol: axial-to-helical chirality transfer with a stepwise Scholl reaction mechanism","Chemical Science","2025","16","22","9978","9987","10.1039/D5SC01498K","","","1.54184","CuKα","","0.0889","0.0735","","","0.197","0.2053","","","","","","0.927","","","","has coordinates,has disorder","300557","2025-07-06","13:55:55",""
"1574542","15.0587","0.0004","16.355","0.0003","25.5956","0.0004","85.232","0.002","78.91","0.002","88.617","0.002","6164.5","0.2","170","2","170","2","","","","","","","","3","P -1","-P 1","2","","","","- C145 H168 O7 -","- C135 H137 O2 -","- C270 H274 O4 -","2","1","","Li, Zhi-Ao; Zhu, Ke-Lin; Yao, Nai-Te; Liang, Jiaqi; Shang, Yi-Ling; Zhang, Ye; Gong, Han-Yuan","Enantiomer-enriched π-extended helicenes with a perylene core from binaphthol: axial-to-helical chirality transfer with a stepwise Scholl reaction mechanism","Chemical Science","2025","16","22","9978","9987","10.1039/D5SC01498K","","","1.54184","CuKα","","0.1189","0.0971","","","0.2639","0.2841","","","","","","0.951","","","","has coordinates,has disorder","300557","2025-07-06","13:56:04",""
"1574543","14.4766","0.0001","26.96","0.0002","32.5283","0.0002","95.858","0.001","100.307","0.001","99.533","0.001","12204.1","0.16","170","2","170","2","","","","","","","","4","P -1","-P 1","2","","","","- C136.12 H142.25 Cl2.25 O2 -","- C135.938 H141.875 Cl1.875 O2 -","- C543.75 H567.5 Cl7.5 O8 -","4","2","","Li, Zhi-Ao; Zhu, Ke-Lin; Yao, Nai-Te; Liang, Jiaqi; Shang, Yi-Ling; Zhang, Ye; Gong, Han-Yuan","Enantiomer-enriched π-extended helicenes with a perylene core from binaphthol: axial-to-helical chirality transfer with a stepwise Scholl reaction mechanism","Chemical Science","2025","16","22","9978","9987","10.1039/D5SC01498K","","","1.54184","CuKα","","0.1111","0.1003","","","0.2759","0.2874","","","","","","0.961","","","","has coordinates,has disorder","300557","2025-07-06","13:56:05",""
"1574544","23.0691","0.0005","30.9414","0.0006","33.7278","0.0013","90","","95.416","0.003","90","","23967.1","1.2","170","2","170","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C135.25 H144.75 Cl3 O4.88 -","- C136.5 H139 Cl3 O3 -","- C1092 H1112 Cl24 O24 -","8","2","","Li, Zhi-Ao; Zhu, Ke-Lin; Yao, Nai-Te; Liang, Jiaqi; Shang, Yi-Ling; Zhang, Ye; Gong, Han-Yuan","Enantiomer-enriched π-extended helicenes with a perylene core from binaphthol: axial-to-helical chirality transfer with a stepwise Scholl reaction mechanism","Chemical Science","2025","16","22","9978","9987","10.1039/D5SC01498K","","","1.54184","CuKα","","0.192","0.1299","","","0.2646","0.2968","","","","","","1.015","","","","has coordinates,has disorder","300557","2025-07-06","13:56:08",""
"1574549","6.5249","0.0006","7.7533","0.0009","11.3333","0.001","90","","103.142","0.003","90","","558.33","0.1","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C13 H14 O3 -","- C13 H14 O3 -","- C26 H28 O6 -","2","1","","Fan, Zhoulong; Cai, Xinpei; Sheng, Tao; Yu, Jin-Quan","Synthesis of bicyclo[3.2.0]heptane lactones via a ligand-enabled Pd-catalyzed C(sp3)–H activation cascade","Chemical Science","2025","16","21","9436","9440","10.1039/D5SC00711A","","x-ray","0.71073","MoKα","K-L~3~","0.0591","0.0503","","","0.1321","0.1387","","","","","","1.049","","","","has coordinates,has disorder","300663","2025-07-06","14:45:12",""
"1574550","8.1406","0.0005","5.8085","0.0003","19.8674","0.0011","90","","92.646","0.002","90","","938.42","0.09","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 F O2 -","- C12 H11 F O2 -","- C48 H44 F4 O8 -","4","1","","Fan, Zhoulong; Cai, Xinpei; Sheng, Tao; Yu, Jin-Quan","Synthesis of bicyclo[3.2.0]heptane lactones via a ligand-enabled Pd-catalyzed C(sp3)–H activation cascade","Chemical Science","2025","16","21","9436","9440","10.1039/D5SC00711A","","x-ray","0.71073","MoKα","K-L~3~","0.0419","0.0353","","","0.0852","0.0897","","","","","","1.041","","","","has coordinates","300663","2025-07-06","14:45:13",""
"1574553","9.43","0.003","9.489","0.002","21.189","0.005","90","","93.651","0.018","90","","1892.2","0.8","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H23 Br N2 O2 -","- C21 H23 Br N2 O2 -","- C84 H92 Br4 N8 O8 -","4","1","","Casselman, Tyler D.; Madhusudhanan, Mithun C.; Mai, Binh Khanh; Liu, Peng; Stoltz, Brian M.","Potassium tert-butoxide mediated stereoselective/direct Mannich reaction of α-substituted-γ-lactams with in situ generated aryl N-silyl imines","Chemical Science","2025","16","22","9863","9871","10.1039/D4SC06391K","","","0.71073","MoKα","","0.0342","0.0267","","","0.068","0.071","","","","","","1.019","","","","has coordinates","300553","2025-07-06","13:51:10",""
"1574554","11.85","0.0011","49.858","0.004","8.0771","0.001","90","","90.083","0.007","90","","4772.1","0.8","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H27 Br N2 O2 -","- C27 H27 Br N2 O2 -","- C216 H216 Br8 N16 O16 -","8","2","","Casselman, Tyler D.; Madhusudhanan, Mithun C.; Mai, Binh Khanh; Liu, Peng; Stoltz, Brian M.","Potassium tert-butoxide mediated stereoselective/direct Mannich reaction of α-substituted-γ-lactams with in situ generated aryl N-silyl imines","Chemical Science","2025","16","22","9863","9871","10.1039/D4SC06391K","","","1.54178","CuKα","","0.0732","0.0679","","","0.1654","0.1686","","","","","","1.149","","","","has coordinates","300553","2025-07-06","13:51:11",""
"1574555","19.64","0.005","6.144","0.0016","17.135","0.005","90","","94.127","0.006","90","","2062.3","1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 N2 O2 -","- C26 H26 N2 O2 -","- C104 H104 N8 O8 -","4","1","","Casselman, Tyler D.; Madhusudhanan, Mithun C.; Mai, Binh Khanh; Liu, Peng; Stoltz, Brian M.","Potassium tert-butoxide mediated stereoselective/direct Mannich reaction of α-substituted-γ-lactams with in situ generated aryl N-silyl imines","Chemical Science","2025","16","22","9863","9871","10.1039/D4SC06391K","","","0.71073","MoKα","","0.0501","0.04","","","0.1106","0.1175","","","","","","1.042","","","","has coordinates","300553","2025-07-06","13:51:19",""
"1574566","16.67","0.03","6.012","0.009","40.37","0.07","90","","91.8","1.1","90","","4044","12","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","LLDDLL peptoid hexamer","","- C35 H57 N9 O10 -","- C35 H55 N9 O10 -","- C140 H220 N36 O40 -","4","2","","Morimoto, Jumpei; Yokomine, Marin; Shiratori, Yota; Ueda, Takumi; Nakamuro, Takayuki; Takaba, Kiyofumi; Maki-Yonekura, Saori; Umezawa, Koji; Miyanishi, Koichiro; Fukuda, Yasuhiro; Watanabe, Takumu; Suga, Mayuko; Inayoshi, Ayumi; Yoshida, Takuya; Mizukami, Wataru; Takeuchi, Koh; Yonekura, Koji; Nakamura, Eiichi; Sando, Shinsuke","Bottom-up design of peptide shapes in water using oligomers of N-methyl-l/d-alanine","Chemical Science","2025","16","23","10512","10522","10.1039/D5SC01483B","","","0.8267","synchrotron","","0.1223","0.1069","","","0.3155","0.3311","","","","","","1.884","","","","has coordinates","300656","2025-07-06","14:42:26",""
"1574567","6.4996","0.0001","10.573","0.0001","12.7837","0.0002","90","","93.148","0.001","90","","877.17","0.02","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H27 N3 O4 -","- C15 H27 N3 O4 -","- C30 H54 N6 O8 -","2","1","","Morimoto, Jumpei; Yokomine, Marin; Shiratori, Yota; Ueda, Takumi; Nakamuro, Takayuki; Takaba, Kiyofumi; Maki-Yonekura, Saori; Umezawa, Koji; Miyanishi, Koichiro; Fukuda, Yasuhiro; Watanabe, Takumu; Suga, Mayuko; Inayoshi, Ayumi; Yoshida, Takuya; Mizukami, Wataru; Takeuchi, Koh; Yonekura, Koji; Nakamura, Eiichi; Sando, Shinsuke","Bottom-up design of peptide shapes in water using oligomers of N-methyl-l/d-alanine","Chemical Science","2025","16","23","10512","10522","10.1039/D5SC01483B","","","1.54184","CuKα","","0.026","0.0257","","","0.0678","0.068","","","","","","1.065","","","","has coordinates,has disorder","300656","2025-07-06","14:42:27",""
"1574568","6.3004","0.0003","12.6013","0.0008","31.7505","0.0017","90","","90","","90","","2520.8","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H34 N4 O5 -","- C19 H34 N4 O5 -","- C76 H136 N16 O20 -","4","1","","Morimoto, Jumpei; Yokomine, Marin; Shiratori, Yota; Ueda, Takumi; Nakamuro, Takayuki; Takaba, Kiyofumi; Maki-Yonekura, Saori; Umezawa, Koji; Miyanishi, Koichiro; Fukuda, Yasuhiro; Watanabe, Takumu; Suga, Mayuko; Inayoshi, Ayumi; Yoshida, Takuya; Mizukami, Wataru; Takeuchi, Koh; Yonekura, Koji; Nakamura, Eiichi; Sando, Shinsuke","Bottom-up design of peptide shapes in water using oligomers of N-methyl-l/d-alanine","Chemical Science","2025","16","23","10512","10522","10.1039/D5SC01483B","","","1.54184","CuKα","","0.0798","0.072","","","0.2181","0.2267","","","","","","1.093","","","","has coordinates","300656","2025-07-06","14:42:27",""
"1574569","5.9846","0.0001","22.8259","0.0003","31.5688","0.0004","90","","90","","90","","4312.42","0.11","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C38 H68 N8 O10 -","- C38 H68.5 N8 O10.25 -","- C152 H274 N32 O41 -","4","1","","Morimoto, Jumpei; Yokomine, Marin; Shiratori, Yota; Ueda, Takumi; Nakamuro, Takayuki; Takaba, Kiyofumi; Maki-Yonekura, Saori; Umezawa, Koji; Miyanishi, Koichiro; Fukuda, Yasuhiro; Watanabe, Takumu; Suga, Mayuko; Inayoshi, Ayumi; Yoshida, Takuya; Mizukami, Wataru; Takeuchi, Koh; Yonekura, Koji; Nakamura, Eiichi; Sando, Shinsuke","Bottom-up design of peptide shapes in water using oligomers of N-methyl-l/d-alanine","Chemical Science","2025","16","23","10512","10522","10.1039/D5SC01483B","","","1.54184","CuKα","","0.0422","0.039","","","0.1021","0.104","","","","","","1.045","","","","has coordinates","300656","2025-07-06","14:42:27",""
"1574570","11.4744","0.0009","11.478","0.0009","12.5186","0.001","90","","103.243","0.001","90","","1604.9","0.2","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","Ammonium copper bromine formate","","- C4 H8 Br4 Cu5 N O8 -","- C4 H8 Br4 Cu5 N O8 -","- C16 H32 Br16 Cu20 N4 O32 -","4","0.5","","Abusa, Yao; Greenfield, Joshua; Viswanathan, Gayatri; Goswami, Smitakshi; Ross, Emma; Yox, Philip; Oppong, Richeal; Ojo, Iyanu; Liu, Jifeng; Ozarowski, Andrew; Kovnir, Kirill","A competition between 2D and 3D magnetic orderings in novel mixed valent copper frameworks","Chemical Science","2025","16","24","11027","11038","10.1039/D5SC00548E","","","0.71073","MoKα","","0.0426","0.0233","","","0.0489","0.0561","","","","","","1.063","","","","has coordinates","300547","2025-07-06","13:47:35",""
"1574571","11.3847","0.0007","11.3964","0.0008","12.3227","0.0009","90","","103.363","0.003","90","","1555.52","0.19","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","Potassium copper bromine formate","Potassium copper bromine formate","","- C4 H4 Br4 Cu5 K O8 -","- C4 H4 Br4 Cu5 K O8 -","- C16 H16 Br16 Cu20 K4 O32 -","4","0.5","","Abusa, Yao; Greenfield, Joshua; Viswanathan, Gayatri; Goswami, Smitakshi; Ross, Emma; Yox, Philip; Oppong, Richeal; Ojo, Iyanu; Liu, Jifeng; Ozarowski, Andrew; Kovnir, Kirill","A competition between 2D and 3D magnetic orderings in novel mixed valent copper frameworks","Chemical Science","2025","16","24","11027","11038","10.1039/D5SC00548E","","","0.71073","MoKα","","0.0348","0.0253","","","0.0676","0.0696","","","","","","1.084","","","","has coordinates","300547","2025-07-06","13:47:36",""
"1574572","11.4433","0.0012","11.455","0.0013","12.605","0.0015","90","","103.207","0.006","90","","1608.6","0.3","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","Rubidium copper bromine formate","","- C8 H8 Br8 Cu10 O16 Rb2 -","- C8 H8 Br8 Cu10 O16 Rb2 -","- C16 H16 Br16 Cu20 O32 Rb4 -","2","0.25","","Abusa, Yao; Greenfield, Joshua; Viswanathan, Gayatri; Goswami, Smitakshi; Ross, Emma; Yox, Philip; Oppong, Richeal; Ojo, Iyanu; Liu, Jifeng; Ozarowski, Andrew; Kovnir, Kirill","A competition between 2D and 3D magnetic orderings in novel mixed valent copper frameworks","Chemical Science","2025","16","24","11027","11038","10.1039/D5SC00548E","","","0.71073","MoKα","","0.031","0.0259","","","0.0635","0.0658","","","","","","1.182","","","","has coordinates","300547","2025-07-06","13:47:36",""
"1574573","12.1357","0.0007","11.1746","0.0005","11.1684","0.0006","90","","103.214","0.002","90","","1474.46","0.13","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Sodium copper bromine formate","","","- C4 H4 Br4 Cu5 Na O8 -","- C4 H4 Br4 Cu5 Na O8 -","- C16 H16 Br16 Cu20 Na4 O32 -","4","1","","Abusa, Yao; Greenfield, Joshua; Viswanathan, Gayatri; Goswami, Smitakshi; Ross, Emma; Yox, Philip; Oppong, Richeal; Ojo, Iyanu; Liu, Jifeng; Ozarowski, Andrew; Kovnir, Kirill","A competition between 2D and 3D magnetic orderings in novel mixed valent copper frameworks","Chemical Science","2025","16","24","11027","11038","10.1039/D5SC00548E","","","0.71073","MoKα","","0.0358","0.0205","","","0.055","0.0637","","","","","","1.04","","","","has coordinates","300547","2025-07-06","13:47:36",""
"1574574","9.0736","0.0012","14.8909","0.0018","19.28","0.002","90","","90","","90","","2605","0.5","150.01","0.1","150.01","0.1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C32 H26 N6 -","- C32 H26 N6 -","- C128 H104 N24 -","4","0.5","","Seinfeld, Mathilde; Rouillon, Jean; Rullan, Raphael; Jeanneau, Erwann; Steinmann, Stephan N.; Andraud, Chantal; Le Bahers, Tangui; Monnereau, Cyrille","Stereoselective synthesis of heterocyclic tetraphenylethylene analogues with configuration-dependent solid-state luminescence","Chemical Science","2025","16","23","10523","10531","10.1039/D4SC08333D","","x-ray","0.71073","MoKα","","0.1019","0.0669","","","0.1605","0.2028","","","","","","1.088","","","","has coordinates","300655","2025-07-06","14:42:11",""
"1574575","7.7794","0.0001","9.85","0.0001","18.6746","0.0002","78.986","0.001","81.955","0.001","71.468","0.001","1326.95","0.03","99.9","0.2","99.9","0.2","","","","","","","","3","P -1","-P 1","2","","","","- C68 H68 N8 -","- C68 H68 N8 -","- C68 H68 N8 -","1","0.5","","Seinfeld, Mathilde; Rouillon, Jean; Rullan, Raphael; Jeanneau, Erwann; Steinmann, Stephan N.; Andraud, Chantal; Le Bahers, Tangui; Monnereau, Cyrille","Stereoselective synthesis of heterocyclic tetraphenylethylene analogues with configuration-dependent solid-state luminescence","Chemical Science","2025","16","23","10523","10531","10.1039/D4SC08333D","","x-ray","1.54184","CuKα","","0.0481","0.0461","","","0.1206","0.1223","","","","","","1.041","","","","has coordinates","300655","2025-07-06","14:42:12",""
"1574576","72.2732","0.0007","9.2167","0.0001","24.9319","0.0002","90","","92.577","0.001","90","","16590.9","0.3","150","","150","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C42 H44 N6 O4 -","- C42 H44 N6 O4 -","- C672 H704 N96 O64 -","16","4","","Li, Zhipeng; Zhang, Jingyang; Zhu, Wanmeng; Wang, Tianyi; Tang, Yefeng; Wang, Jian","N-Heterocyclic carbene-catalyzed enantioselective (dynamic) kinetic resolution for the assembly of inherently chiral macrocycles","Chemical Science","2025","16","24","11021","11026","10.1039/D5SC01773D","","x-ray","1.54184","CuKα","","0.0975","0.071","","","0.1787","0.1936","","","","","","1.037","","","","has coordinates,has disorder","300537","2025-07-06","13:44:00",""
"1574577","13.6732","0.0009","15.7373","0.0011","17.8565","0.0012","91.328","0.002","91.152","0.002","102.706","0.002","3746","0.4","112","","112","","","","","","","","","9","P -1","-P 1","2","","","","- C83 H76 Cl3 F6 N2 O6 P2 Rh2 S2 -","- C83 H76 Cl3 F6 N2 O6 P2 Rh2 S2 -","- C166 H152 Cl6 F12 N4 O12 P4 Rh4 S4 -","2","1","","Litle, Elishua D.; Bedajna, Shantabh; Gabbaï, François P.","L/Z-ligand type amphoterism of an acridinium unit","Chemical Science","2025","16","24","10852","10856","10.1039/D5SC00965K","","","0.71073","MoKα","","0.0829","0.061","","","0.1365","0.1468","","","","","","1.067","","","","has coordinates","300544","2025-07-06","13:46:45",""
"1574578","27.264","0.004","9.5891","0.0014","22.664","0.003","90","","93.997","0.006","90","","5910.8","1.5","110","","110","","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C33 H25 Cl F3 N O3 P Rh S -","- C33 H25 Cl F3 N O3 P Rh S -","- C264 H200 Cl8 F24 N8 O24 P8 Rh8 S8 -","8","1","","Litle, Elishua D.; Bedajna, Shantabh; Gabbaï, François P.","L/Z-ligand type amphoterism of an acridinium unit","Chemical Science","2025","16","24","10852","10856","10.1039/D5SC00965K","","","0.71073","MoKα","","0.0704","0.0629","","","0.1624","0.1687","","","","","","1.157","","","","has coordinates","300544","2025-07-06","13:46:45",""
"1574579","13.056","0.0009","12.3746","0.0009","25.291","0.002","90","","102.588","0.002","90","","3987.9","0.5","110","","110","","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C41 H41 Cl F3 N3 O4 P Rh S -","- C41 H41 Cl F3 N3 O4 P Rh S -","- C164 H164 Cl4 F12 N12 O16 P4 Rh4 S4 -","4","1","","Litle, Elishua D.; Bedajna, Shantabh; Gabbaï, François P.","L/Z-ligand type amphoterism of an acridinium unit","Chemical Science","2025","16","24","10852","10856","10.1039/D5SC00965K","","","0.71073","MoKα","","0.0977","0.0782","","","0.1925","0.2049","","","","","","1.144","","","","has coordinates","300544","2025-07-06","13:46:45",""
"1574580","9.559","0.0005","14.5429","0.0008","14.775","0.0008","88.144","0.002","74.108","0.002","79.653","0.002","1943.02","0.18","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H31 N30 Na2 O13 Pu -","- C18 H31 N30 Na2 O13 Pu -","- C36 H62 N60 Na4 O26 Pu2 -","2","1","","Bai, Zhuanling; Martelles, Madeline C.; Sperling, Joseph M.; Albrecht, Thomas E.","Unveiling the covalency of versatile Pu(iii)-N bonds in a unique plutonium(iii) complex","Chemical Science","2025","16","23","10424","10431","10.1039/D5SC01808K","","","0.71073","MoKα","","0.065","0.056","","","0.1137","0.1172","","","","","","1.18","","","","has coordinates","300659","2025-07-06","14:43:20",""
"1574581","20.0184","0.0006","21.3728","0.0007","22.6375","0.0008","83.5455","0.0017","74.0558","0.0017","79.746","0.0017","9143.4","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C91 H72 Cl N8 O3 Re -","- C91 H72 Cl N8 O3 Re -","- C364 H288 Cl4 N32 O12 Re4 -","4","2","","Varghese, Eldhose V.; Liu, Yi-Hung; Chen, Hsing-Yin; Li, Chien-Hung; Chen, Chia-Hsiang","Rhenium coordination-induced conformational modulation in nitrogen-doped nanographene","Chemical Science","2025","16","22","9966","9977","10.1039/D5SC02827B","","","1.54178","CuKα","","0.1458","0.0761","","","0.2091","0.2756","","","","","","0.868","","","","has coordinates,has disorder","300555","2025-07-06","13:54:02",""
"1574582","24.578","0.0007","35.7337","0.0009","21.4113","0.0006","90","","102.624","0.0014","90","","18350.2","0.9","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C98 H88 Cl3 N8 O3 Re -","- C98 H88 Cl3 N8 O3 Re -","- C784 H704 Cl24 N64 O24 Re8 -","8","1","","Varghese, Eldhose V.; Liu, Yi-Hung; Chen, Hsing-Yin; Li, Chien-Hung; Chen, Chia-Hsiang","Rhenium coordination-induced conformational modulation in nitrogen-doped nanographene","Chemical Science","2025","16","22","9966","9977","10.1039/D5SC02827B","","","1.54178","CuKα","","0.0967","0.062","","","0.1594","0.1799","","","","","","1.021","","","","has coordinates,has disorder","300555","2025-07-06","13:54:03",""
"1574583","38.3843","0.0011","7.1312","0.0002","33.4701","0.0007","90","","97.967","0.003","90","","9073.2","0.4","100","0.1","100","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C53 H47 Br2 N3 O4 -","- C53 H47 Br2.0005 N3 O4 -","- C424 H376 Br16.004 N24 O32 -","8","1","","Zhou, Qian; Feng, Mingxia; Shi, Caihong; Qian, Mengqiu; Ma, Xiurong; He, Runying; Meng, Xian; Shi, Yonggang; Cao, Qiue; Zheng, Liyan","Multiple stimulus modulated organic crystal polymorphs with tunable luminescence behavior","Chemical Science","2025","16","22","9988","9997","10.1039/D5SC01503K","","x-ray","1.54184","CuKα","","0.1165","0.0909","","","0.2569","0.2806","","","","","","1.041","","","","has coordinates,has disorder","300559","2025-07-06","13:57:14",""
"1574584","38.4139","0.0017","7.1583","0.0003","33.7745","0.0015","90","","98.265","0.002","90","","9190.8","0.7","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C52 H37 Br2 N3 -","- C52 H37 Br2.0001 N3 -","- C416 H296 Br16.0008 N24 -","8","1","","Zhou, Qian; Feng, Mingxia; Shi, Caihong; Qian, Mengqiu; Ma, Xiurong; He, Runying; Meng, Xian; Shi, Yonggang; Cao, Qiue; Zheng, Liyan","Multiple stimulus modulated organic crystal polymorphs with tunable luminescence behavior","Chemical Science","2025","16","22","9988","9997","10.1039/D5SC01503K","","","1.34139","GaKα","","0.1274","0.0849","","","0.1707","0.1882","","","","","","1.054","","","","has coordinates,has disorder","300559","2025-07-06","13:57:15",""
"1574585","38.581","0.008","7.1035","0.0015","33.75","0.008","90","","98.022","0.007","90","","9159","3","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C52 H37 Br2 N3 -","- C52 H37 Br2.0067 N3 -","- C416 H296 Br16.0536 N24 -","8","1","","Zhou, Qian; Feng, Mingxia; Shi, Caihong; Qian, Mengqiu; Ma, Xiurong; He, Runying; Meng, Xian; Shi, Yonggang; Cao, Qiue; Zheng, Liyan","Multiple stimulus modulated organic crystal polymorphs with tunable luminescence behavior","Chemical Science","2025","16","22","9988","9997","10.1039/D5SC01503K","","","1.34139","GaKα","","0.1549","0.0895","","","0.2332","0.271","","","","","","1.128","","","","has coordinates,has disorder","300559","2025-07-06","13:57:16",""
"1574586","13.1747","0.0015","15.032","0.0017","15.0828","0.0018","87.387","0.003","80.397","0.003","77.998","0.003","2880.6","0.6","187","2","187","2","","","","","","","","5","P -1","-P 1","2","","","","- C73 H56 Cl N6 Pd2 -","- C72 H54 N6 Pd2 -","- C144 H108 N12 Pd4 -","2","1","","Xue, Minying; To, Wai-Pong; Cheng, Gang; Zhang, Yuzhen; Tang, Zhou; Du, Lili; Low, Kam-Hung; Wan, Qingyun; Che, Chi-Ming","3MMLCT excited states of luminescent binuclear PdII complexes: excited state inner-sphere electron-transfer reactions and application","Chemical Science","2025","16","24","10701","10713","10.1039/D4SC08612K","","","0.71073","MoKα","","0.1466","0.0581","","","0.1077","0.15","","","","","","1.083","","","","has coordinates,has disorder","300550","2025-07-06","13:48:21",""
"1574587","17.465","0.014","19.39","0.013","20.394","0.017","90","","97.86","0.02","90","","6841","9","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C80 H98 N6 Pt2 -","- C68 H70 N6 Pt2 -","- C272 H280 N24 Pt8 -","4","1","","Xue, Minying; To, Wai-Pong; Cheng, Gang; Zhang, Yuzhen; Tang, Zhou; Du, Lili; Low, Kam-Hung; Wan, Qingyun; Che, Chi-Ming","3MMLCT excited states of luminescent binuclear PdII complexes: excited state inner-sphere electron-transfer reactions and application","Chemical Science","2025","16","24","10701","10713","10.1039/D4SC08612K","","","0.71073","MoKα","","0.0935","0.0445","","","0.0822","0.0985","","","","","","1.012","","","","has coordinates,has disorder","300550","2025-07-06","13:48:22",""
"1574588","19.9715","0.0011","17.5055","0.001","13.1183","0.0008","90","","109.737","0.003","90","","4316.9","0.4","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C52 H42 N10 Pd2 -","- C52 H42 N10 Pd2 -","- C208 H168 N40 Pd8 -","4","0.5","","Xue, Minying; To, Wai-Pong; Cheng, Gang; Zhang, Yuzhen; Tang, Zhou; Du, Lili; Low, Kam-Hung; Wan, Qingyun; Che, Chi-Ming","3MMLCT excited states of luminescent binuclear PdII complexes: excited state inner-sphere electron-transfer reactions and application","Chemical Science","2025","16","24","10701","10713","10.1039/D4SC08612K","","","1.34138","GaKα","","0.0596","0.0428","","","0.106","0.1179","","","","","","1.094","","","","has coordinates","300550","2025-07-06","13:48:31",""
"1574589","12.4062","0.0018","12.6181","0.0018","19.276","0.003","102.182","0.004","95.522","0.004","118.581","0.003","2520.9","0.7","170","2","170","2","","","","","","","","5","P 1","P 1","1","","","","- C59 H54 Cl2 N6 Pd2 -","- C53 H40 Cl2 N6 Pd2 -","- C106 H80 Cl4 N12 Pd4 -","2","2","","Xue, Minying; To, Wai-Pong; Cheng, Gang; Zhang, Yuzhen; Tang, Zhou; Du, Lili; Low, Kam-Hung; Wan, Qingyun; Che, Chi-Ming","3MMLCT excited states of luminescent binuclear PdII complexes: excited state inner-sphere electron-transfer reactions and application","Chemical Science","2025","16","24","10701","10713","10.1039/D4SC08612K","","","0.71073","MoKα","","0.1496","0.0545","","","0.1021","0.13","","","","","","0.977","","","","has coordinates","300550","2025-07-06","13:48:33",""
"1574590","28.787","0.0019","14.0679","0.0009","18.2253","0.0014","90","","125.365","0.002","90","","6018.9","0.7","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C69 H72 Cl2 N6 Pd2 -","- C69 H72 Cl2 N6 Pd2 -","- C276 H288 Cl8 N24 Pd8 -","4","0.5","","Xue, Minying; To, Wai-Pong; Cheng, Gang; Zhang, Yuzhen; Tang, Zhou; Du, Lili; Low, Kam-Hung; Wan, Qingyun; Che, Chi-Ming","3MMLCT excited states of luminescent binuclear PdII complexes: excited state inner-sphere electron-transfer reactions and application","Chemical Science","2025","16","24","10701","10713","10.1039/D4SC08612K","","","0.71073","MoKα","","0.1622","0.0727","","","0.1517","0.1829","","","","","","1.055","","","","has coordinates","300550","2025-07-06","13:48:41",""
"1574591","20.022","0.003","13.1386","0.0019","17.551","0.002","90","","114.783","0.004","90","","4191.8","1","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C48 H43 N9 Pd2 -","- C48 H43 N9 Pd2 -","- C192 H172 N36 Pd8 -","4","1","","Xue, Minying; To, Wai-Pong; Cheng, Gang; Zhang, Yuzhen; Tang, Zhou; Du, Lili; Low, Kam-Hung; Wan, Qingyun; Che, Chi-Ming","3MMLCT excited states of luminescent binuclear PdII complexes: excited state inner-sphere electron-transfer reactions and application","Chemical Science","2025","16","24","10701","10713","10.1039/D4SC08612K","","","0.71073","MoKα","","0.0437","0.0324","","","0.0699","0.0739","","","","","","1.042","","","","has coordinates","300550","2025-07-06","13:48:43",""
"1574592","6.4618","0.0002","7.8144","0.0002","22.3901","0.0006","90","","90","","90","","1130.59","0.05","299","2","299","2","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- C16 H12 -","- C16 H12 -","- C64 H48 -","4","1","","Bello-García, Jesús; Varela, Jesús A.; Saá, Carlos","Transition metal-free vs. metal-catalyzed cyclotrimerization of didehydro[8]annulenes (COTynes): a complex pathway to non-planar PAHs – Dewar benzenes vs. benzotri[8]annulenes","Chemical Science","2025","16","24","10874","10880","10.1039/D5SC03035H","","x-ray","1.54178","CuKα","","0.035","0.031","","","0.0762","0.0802","","","","","","1.093","","","","has coordinates","300536","2025-07-06","13:43:45",""
"1574593","9.4244","0.0004","9.6598","0.0005","10.1931","0.0005","75.257","0.005","82.012","0.004","67.21","0.004","826.5","0.07","100","2","100","2","","","","","","","","2","P -1","-P 1","2","","","","- C24 H18 -","- C24 H18 -","- C48 H36 -","2","1","","Bello-García, Jesús; Varela, Jesús A.; Saá, Carlos","Transition metal-free vs. metal-catalyzed cyclotrimerization of didehydro[8]annulenes (COTynes): a complex pathway to non-planar PAHs – Dewar benzenes vs. benzotri[8]annulenes","Chemical Science","2025","16","24","10874","10880","10.1039/D5SC03035H","","x-ray","1.54184","CuKα","","0.0502","0.0407","","","0.1026","0.1079","","","","","","1.058","","","","has coordinates","300536","2025-07-06","13:43:46",""
"1574594","13.0765","0.0008","17.2821","0.0011","30.4781","0.0019","75.352","0.002","81.6","0.002","71.934","0.002","6318.2","0.7","170","","170","","","","","","","","","4","P -1","-P 1","2","","","","- C134 H134 Cl6 N28 -","- C132 H133 N28 -","- C264 H266 N56 -","2","1","","Tang, Hua; Lu, Yuyang; Qian, Yongwei; Ge, Chenqi; Liu, Jiyong; Chen, Hongliang; Li, Hao","A conformationally adaptable tetrahedral cage with different guest encapsulation models","Chemical Science","2025","16","24","10867","10873","10.1039/D5SC01474C","","x-ray","1.34139","GaKα","","0.1713","0.0922","","","0.2715","0.3302","","","","","","1.006","","","","has coordinates","300541","2025-07-06","13:45:24",""
"1574595","32.4774","0.0007","32.4774","0.0007","32.4774","0.0007","90","","90","","90","","34256.6","1.3","170","","170","","","","","","","","","5","F d -3 :2","-F 2uv 2vw 3","203","","","","- C169 H217 Cl10.02 N29 O5 -","- C136 H143.999 Cl1.0148 N29 -","- C1088 H1151.99 Cl8.1184 N232 -","8","0.0833333","","Tang, Hua; Lu, Yuyang; Qian, Yongwei; Ge, Chenqi; Liu, Jiyong; Chen, Hongliang; Li, Hao","A conformationally adaptable tetrahedral cage with different guest encapsulation models","Chemical Science","2025","16","24","10867","10873","10.1039/D5SC01474C","","x-ray","1.34139","GaKα","","0.1041","0.0888","","","0.296","0.319","","","","","","1.299","","","","has coordinates,has disorder","300541","2025-07-06","13:45:25",""
"1574596","15.9658","0.001","16.1176","0.001","33.451","0.002","81.578","0.002","82.615","0.002","84.009","0.002","8412.3","0.9","170","","170","","","","","","","","","8","P -1","-P 1","2","","","","- C155 H183 Cl3 Cs2 F12 N30 O15 S4 -","- C136 H140 Cs2 F12 N30 O12 S4 -","- C272 H280 Cs4 F24 N60 O24 S8 -","2","1","","Tang, Hua; Lu, Yuyang; Qian, Yongwei; Ge, Chenqi; Liu, Jiyong; Chen, Hongliang; Li, Hao","A conformationally adaptable tetrahedral cage with different guest encapsulation models","Chemical Science","2025","16","24","10867","10873","10.1039/D5SC01474C","","x-ray","1.34139","GaKα","","0.0803","0.0682","","","0.2117","0.2207","","","","","","1.021","","","","has coordinates,has disorder","300541","2025-07-06","13:45:25",""
"1574597","20.1236","0.0005","7.0187","0.0003","12.0117","0.0004","90","","97.82","0.003","90","","1680.77","0.1","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C18 H19 N3 S -","- C18 H19 N3 S -","- C72 H76 N12 S4 -","4","1","","Liu, Fayu; Guo, Yanqi; Lu, Weidong; Zhao, Xiaowei; Yin, Yanli; Jiang, Zhiyong","Precise construction of spiro stereocenters via enantioselective radical addition through modulating photocatalysis from redox to energy transfer","Chemical Science","2025","16","23","10555","10562","10.1039/D5SC01583A","","x-ray","1.54184","CuKα","","0.0465","0.0419","","","0.1138","0.1186","","","","","","1.071","","","","has coordinates","300660","2025-07-06","14:43:31",""
"1574598","13.1753","0.0017","15.5076","0.0019","12.1845","0.0015","90","","115.425","0.003","90","","2248.4","0.5","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H34 B2 O4 -","- C22 H34 B2 O4 -","- C88 H136 B8 O16 -","4","1","","Hu, Jiefeng; Zhang, Kun; Wang, Jing; Huang, Mingming; Chen, Shuangru; Shi, Zhuangzhi; Marder, Todd B.","Synthesis of gem-di(boryl)cyclopropanes from non-activated olefins via Mn-photocatalyzed atom transfer radical addition","Chemical Science","2025","16","23","10595","10601","10.1039/D5SC02670A","","","0.71073","MoKα","","0.2089","0.0988","","","0.2314","0.2878","","","","","","1.019","","","","has coordinates,has disorder","300658","2025-07-06","14:43:10",""
"1574599","8.6082","0.0001","11.3392","0.0002","14.3006","0.0003","90","","90","","90","","1395.88","0.04","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","L-6","","- C26 H26 N4 O12 Zn2 -","- C26 H26 N4 O12 Zn2 -","- C52 H52 N8 O24 Zn4 -","2","0.5","","Zheng, Hongrui; Wang, Qingqing; Wang, Fei; Li, Shangda; Zhang, Jian","Rational design of circularly polarized luminescence active chiral metal–organic frameworks for logic devices","Chemical Science","2025","16","24","10742","10749","10.1039/D5SC02334C","","x-ray","1.54184","CuKα","","0.0623","0.0577","","","0.1496","0.1546","","","","","","1.063","","","","has coordinates","300542","2025-07-06","13:45:38",""
"1574600","8.5077","0.0001","11.3704","0.0002","14.5983","0.0002","90","","90","","90","","1412.18","0.04","100","0.15","100","0.15","","","","","","","","5","P 21 21 2","P 2 2ab","18","","D-24","","- C25 H23 N5 O12 Zn2 -","- C25 H23 N5 O12 Zn2 -","- C50 H46 N10 O24 Zn4 -","2","0.5","","Zheng, Hongrui; Wang, Qingqing; Wang, Fei; Li, Shangda; Zhang, Jian","Rational design of circularly polarized luminescence active chiral metal–organic frameworks for logic devices","Chemical Science","2025","16","24","10742","10749","10.1039/D5SC02334C","","x-ray","0.71073","MoKα","","0.1135","0.1053","","","0.2569","0.2611","","","","","","1.164","","","","has coordinates,has disorder","300542","2025-07-06","13:45:39",""
"1574601","8.5192","0.0001","11.39","0.0001","15.0392","0.0001","90","","92.267","0.001","90","","1458.17","0.02","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","d-42","","- C26 H24.64 N4 O14 Zn2 -","- C26 H24.64 N4 O14 Zn2 -","- C52 H49.28 N8 O28 Zn4 -","2","1","","Zheng, Hongrui; Wang, Qingqing; Wang, Fei; Li, Shangda; Zhang, Jian","Rational design of circularly polarized luminescence active chiral metal–organic frameworks for logic devices","Chemical Science","2025","16","24","10742","10749","10.1039/D5SC02334C","","x-ray","1.54184","CuKα","","0.054","0.0492","","","0.1111","0.1144","","","","","","1.069","","","","has coordinates,has disorder","300542","2025-07-06","13:45:39",""
"1574602","8.5952","0.0002","11.3099","0.0002","14.1931","0.0003","90","","90","","90","","1379.72","0.05","99.98","0.18","99.98","0.18","","","","","","","","5","P 21 21 2","P 2 2ab","18","","D-6","","- C2.6 H0.05 N0.4 O1.2 Zn0.2 -","- C2.6 H2.4 N0.4 O1.2 Zn0.2 -","- C52 H48 N8 O24 Zn4 -","20","5","","Zheng, Hongrui; Wang, Qingqing; Wang, Fei; Li, Shangda; Zhang, Jian","Rational design of circularly polarized luminescence active chiral metal–organic frameworks for logic devices","Chemical Science","2025","16","24","10742","10749","10.1039/D5SC02334C","","x-ray","0.71073","MoKα","","0.0404","0.0337","","","0.0781","0.0817","","","","","","1.045","","","","has coordinates","300542","2025-07-06","13:45:39",""
"1574603","11.3801","0.0001","8.5624","0.0001","14.6534","0.0001","90","","90","","90","","1427.84","0.02","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","L-24","","- C26 H24 N5 O12 Zn2 -","- C26 H24 N5 O12 Zn2 -","- C52 H48 N10 O24 Zn4 -","2","0.5","","Zheng, Hongrui; Wang, Qingqing; Wang, Fei; Li, Shangda; Zhang, Jian","Rational design of circularly polarized luminescence active chiral metal–organic frameworks for logic devices","Chemical Science","2025","16","24","10742","10749","10.1039/D5SC02334C","","x-ray","1.54184","CuKα","","0.061","0.0598","","","0.1606","0.1617","","","","","","1.153","","","","has coordinates","300542","2025-07-06","13:45:39",""
"1574604","8.5446","0.0001","11.378","0.0001","14.9531","0.0001","90","","92.073","0.001","90","","1452.8","0.02","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","L-42","","- C24 H22 N4 O14 Zn2 -","- C24 H22 N4 O14 Zn2 -","- C48 H44 N8 O28 Zn4 -","2","1","","Zheng, Hongrui; Wang, Qingqing; Wang, Fei; Li, Shangda; Zhang, Jian","Rational design of circularly polarized luminescence active chiral metal–organic frameworks for logic devices","Chemical Science","2025","16","24","10742","10749","10.1039/D5SC02334C","","x-ray","1.54184","CuKα","","0.0557","0.0517","","","0.1532","0.1588","","","","","","1.141","","","","has coordinates","300542","2025-07-06","13:45:39",""
"1574605","16.8358","0.0008","21.2426","0.0011","24.1864","0.0011","84.4","0.004","77.881","0.004","89.447","0.004","8416.3","0.7","120","","120","","","","","","","","","7","P -1","-P 1","2","","","","- C172 H142 Au15 B O3 P6 S4 -","- C172 H142 Au15 B O3 P6 S4 -","- C344 H284 Au30 B2 O6 P12 S8 -","2","1","","Zhu, Chen; Li, Bo; Li, Chen; Lu, Luyao; Li, Hao; Yuan, Xinhua; Kang, Xi; Jiang, De-en; Zhu, Manzhou","Arylation of gold nanoclusters and insights into structure-related CO2 reduction reaction performances","Chemical Science","2025","16","23","10273","10281","10.1039/D5SC01200G","","x-ray","1.54186","CuKα","","0.1051","0.0729","","","0.1778","0.1993","","","","","","0.94","","","","has coordinates","300657","2025-07-06","14:42:49",""
"1574606","16.7395","0.0014","22.413","0.002","23.67","0.002","99.314","0.007","101.816","0.007","97.815","0.007","8445.3","1.3","120","","120","","","","","","","","","8","P -1","-P 1","2","","","","- C172 H136 Au15 B F6 O3 P6 S4 -","- C172 H136 Au15 B F6 O3 P6 S4 -","- C344 H272 Au30 B2 F12 O6 P12 S8 -","2","1","","Zhu, Chen; Li, Bo; Li, Chen; Lu, Luyao; Li, Hao; Yuan, Xinhua; Kang, Xi; Jiang, De-en; Zhu, Manzhou","Arylation of gold nanoclusters and insights into structure-related CO2 reduction reaction performances","Chemical Science","2025","16","23","10273","10281","10.1039/D5SC01200G","","x-ray","1.54186","CuKα","","0.1101","0.0746","","","0.1878","0.204","","","","","","0.941","","","","has coordinates","300657","2025-07-06","14:42:57",""
"1574607","20.472","0.0011","21.4293","0.0013","22.513","0.0012","115.818","0.004","93.462","0.004","90.36","0.005","8868.6","0.9","120","","120","","","","","","","","","7","P -1","-P 1","2","","","","- C148 H120 Au15 Cl2 O3 P6 S4 -","- C148 H120 Au15 Cl2 O3 P6 S4 -","- C296 H240 Au30 Cl4 O6 P12 S8 -","2","1","","Zhu, Chen; Li, Bo; Li, Chen; Lu, Luyao; Li, Hao; Yuan, Xinhua; Kang, Xi; Jiang, De-en; Zhu, Manzhou","Arylation of gold nanoclusters and insights into structure-related CO2 reduction reaction performances","Chemical Science","2025","16","23","10273","10281","10.1039/D5SC01200G","","x-ray","1.54186","CuKα","","0.0886","0.0645","","","0.1749","0.1872","","","","","","0.945","","","","has coordinates","300657","2025-07-06","14:42:58",""
"1574608","9.851","0.0003","10.45","0.0003","24.6569","0.0008","102.218","0.001","95.717","0.001","90.27","0.001","2467.55","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H23 B Cl P -","- C32 H23 B Cl P -","- C128 H92 B4 Cl4 P4 -","4","2","","Frey, Nathan C.; Sarkar, Samir Kumar; Dickie, Diane A.; Molino, Andrew; Gilliard, Robert J.","Borinine-FLP ring expansion: isolation of eight-membered B–P rings bridged by μ2 chalcogenide and chloronium ions","Chemical Science","2025","16","24","10857","10866","10.1039/D5SC02000J","","","0.71073","MoKα","","0.0701","0.0528","","","0.1278","0.1389","","","","","","1.08","","","","has coordinates","300539","2025-07-06","13:44:48",""
"1574609","10.5356","0.0004","10.8441","0.0004","11.7844","0.0005","92.322","0.003","97.327","0.003","107.799","0.003","1266.93","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H23 B Cl P S -","- C32 H23 B Cl P S -","- C64 H46 B2 Cl2 P2 S2 -","2","1","","Frey, Nathan C.; Sarkar, Samir Kumar; Dickie, Diane A.; Molino, Andrew; Gilliard, Robert J.","Borinine-FLP ring expansion: isolation of eight-membered B–P rings bridged by μ2 chalcogenide and chloronium ions","Chemical Science","2025","16","24","10857","10866","10.1039/D5SC02000J","","","1.54178","CuKα","","0.071","0.0505","","","0.1252","0.1379","","","","","","1.031","","","","has coordinates","300539","2025-07-06","13:44:48",""
"1574610","10.2944","0.0007","11.0077","0.0006","13.5352","0.0009","112.771","0.002","99.45","0.002","106.35","0.002","1290.76","0.15","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H23 B Cl P Se -","- C32 H23 B Cl P Se -","- C64 H46 B2 Cl2 P2 Se2 -","2","1","","Frey, Nathan C.; Sarkar, Samir Kumar; Dickie, Diane A.; Molino, Andrew; Gilliard, Robert J.","Borinine-FLP ring expansion: isolation of eight-membered B–P rings bridged by μ2 chalcogenide and chloronium ions","Chemical Science","2025","16","24","10857","10866","10.1039/D5SC02000J","","","0.71073","MoKα","","0.075","0.0481","","","0.0933","0.1038","","","","","","1.029","","","","has coordinates","300539","2025-07-06","13:44:48",""
"1574611","19.9273","0.001","23.9626","0.0013","23.7599","0.0012","90","","108.182","0.004","90","","10779.1","1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C140 H115 B4 O3 P4 S2 -","- C140 H115 B4 O3 P4 S2 -","- C560 H460 B16 O12 P16 S8 -","4","1","","Frey, Nathan C.; Sarkar, Samir Kumar; Dickie, Diane A.; Molino, Andrew; Gilliard, Robert J.","Borinine-FLP ring expansion: isolation of eight-membered B–P rings bridged by μ2 chalcogenide and chloronium ions","Chemical Science","2025","16","24","10857","10866","10.1039/D5SC02000J","","","1.54178","CuKα","","0.1409","0.0844","","","0.2278","0.2679","","","","","","1.04","","","","has coordinates","300539","2025-07-06","13:44:48",""
"1574612","10.3156","0.0002","10.4528","0.0002","12.703","0.0003","92.231","0.002","109.039","0.001","105.061","0.001","1238.79","0.05","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H23 B Cl O P -","- C32 H23 B Cl O P -","- C64 H46 B2 Cl2 O2 P2 -","2","1","","Frey, Nathan C.; Sarkar, Samir Kumar; Dickie, Diane A.; Molino, Andrew; Gilliard, Robert J.","Borinine-FLP ring expansion: isolation of eight-membered B–P rings bridged by μ2 chalcogenide and chloronium ions","Chemical Science","2025","16","24","10857","10866","10.1039/D5SC02000J","","","1.54178","CuKα","","0.0597","0.042","","","0.0992","0.1087","","","","","","1.038","","","","has coordinates","300539","2025-07-06","13:44:48",""
"1574613","21.7774","0.0014","19.7933","0.0014","25.0274","0.0019","90","","98.776","0.002","90","","10661.7","1.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C135 H100 B4 O2 P4 -","- C135 H100 B4 O2 P4 -","- C540 H400 B16 O8 P16 -","4","0.5","","Frey, Nathan C.; Sarkar, Samir Kumar; Dickie, Diane A.; Molino, Andrew; Gilliard, Robert J.","Borinine-FLP ring expansion: isolation of eight-membered B–P rings bridged by μ2 chalcogenide and chloronium ions","Chemical Science","2025","16","24","10857","10866","10.1039/D5SC02000J","","","0.71073","MoKα","","0.1165","0.0734","","","0.1477","0.1657","","","","","","1.042","","","","has coordinates,has disorder","300539","2025-07-06","13:44:48",""
"1574614","19.994","0.0004","23.911","0.0005","23.8368","0.0004","90","","108.362","0.001","90","","10815.6","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C140 H116 B4 O3 P4 Se2 -","- C140 H116 B4 O3 P4 Se2 -","- C560 H464 B16 O12 P16 Se8 -","4","1","","Frey, Nathan C.; Sarkar, Samir Kumar; Dickie, Diane A.; Molino, Andrew; Gilliard, Robert J.","Borinine-FLP ring expansion: isolation of eight-membered B–P rings bridged by μ2 chalcogenide and chloronium ions","Chemical Science","2025","16","24","10857","10866","10.1039/D5SC02000J","","","1.54178","CuKα","","0.0652","0.0444","","","0.099","0.1107","","","","","","1.038","","","","has coordinates,has disorder","300539","2025-07-06","13:44:48",""
"1574615","12.9579","0.0004","14.3772","0.0005","18.444","0.0007","74.792","0.001","71.244","0.001","63.367","0.001","2879.91","0.18","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C138 H97 B4 Cl2 F13 N2 O8 P4 S4 -","- C138 H97 B4 Cl2 F13 N2 O8 P4 S4 -","- C138 H97 B4 Cl2 F13 N2 O8 P4 S4 -","1","0.5","","Frey, Nathan C.; Sarkar, Samir Kumar; Dickie, Diane A.; Molino, Andrew; Gilliard, Robert J.","Borinine-FLP ring expansion: isolation of eight-membered B–P rings bridged by μ2 chalcogenide and chloronium ions","Chemical Science","2025","16","24","10857","10866","10.1039/D5SC02000J","","","0.71073","MoKα","","0.0656","0.0516","","","0.1344","0.1452","","","","","","1.045","","","","has coordinates,has disorder","300539","2025-07-06","13:44:48",""
"1574617","14.4106","0.0001","15.4214","0.0001","24.1204","0.0002","101.438","0.001","105.322","0.001","103.955","0.001","4816.59","0.08","150","0.1","150.15","","","","","","","","","7","P -1","-P 1","2","","","","- C47 H76 Al K N2 O Si2 -","- C47 H76 Al K N2 O Si2 -","- C188 H304 Al4 K4 N8 O4 Si8 -","4","2","","Kallmeier, Fabian; Nelmes, Gareth R.; McMullin, Claire L.; Edwards, Alison J.; Hicks, Jamie","Enhancing the nucleophilicity of aluminyl anions: targeting selective C–H activation","Chemical Science","2025","16","24","10750","10758","10.1039/D5SC02682B","","","1.54184","CuKα","","0.0385","0.0356","","","0.0946","0.0965","","","","","","1.068","","","","has coordinates,has disorder","300543","2025-07-06","13:46:27",""
"1574618","16.7297","0.0003","22.5628","0.0002","17.7034","0.0003","90","","104.568","0.002","90","","6467.64","0.18","150","0.1","150.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C58 H106 Al K N2 O7 Si2 -","- C58 H106 Al K N2 O7 Si2 -","- C232 H424 Al4 K4 N8 O28 Si8 -","4","1","","Kallmeier, Fabian; Nelmes, Gareth R.; McMullin, Claire L.; Edwards, Alison J.; Hicks, Jamie","Enhancing the nucleophilicity of aluminyl anions: targeting selective C–H activation","Chemical Science","2025","16","24","10750","10758","10.1039/D5SC02682B","","","1.54184","CuKα","","0.0719","0.0581","","","0.1506","0.1598","","","","","","1.036","","","","has coordinates,has disorder","300543","2025-07-06","13:46:27",""
"1574619","22.4566","0.0003","18.6939","0.0002","23.7291","0.0002","90","","107.299","0.001","90","","9510.91","0.19","150","0.1","150.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C94 H152 Al2 K2 N4 O2 Si4 -","- C94 H152 Al2 K2 N4 O2 Si4 -","- C376 H608 Al8 K8 N16 O8 Si16 -","4","0.5","","Kallmeier, Fabian; Nelmes, Gareth R.; McMullin, Claire L.; Edwards, Alison J.; Hicks, Jamie","Enhancing the nucleophilicity of aluminyl anions: targeting selective C–H activation","Chemical Science","2025","16","24","10750","10758","10.1039/D5SC02682B","","","1.54184","CuKα","","0.0694","0.0554","","","0.1372","0.1444","","","","","","1.023","","","","has coordinates","300543","2025-07-06","13:46:27",""
"1574620","13.527","0.0001","23.8483","0.0001","20.0037","0.0001","90","","90","","90","","6453.11","0.06","150","0.1","150.15","0.1","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C60 H102 Al K N2 O7 Si2 -","- C60 H102 Al K N2 O7 Si2 -","- C240 H408 Al4 K4 N8 O28 Si8 -","4","0.5","","Kallmeier, Fabian; Nelmes, Gareth R.; McMullin, Claire L.; Edwards, Alison J.; Hicks, Jamie","Enhancing the nucleophilicity of aluminyl anions: targeting selective C–H activation","Chemical Science","2025","16","24","10750","10758","10.1039/D5SC02682B","","neutron","1.003","neutron","","0.1732","0.1061","","","0.2347","0.2837","","","","","","1.055","","","","has coordinates,has disorder","300543","2025-07-06","13:46:27",""
"1574621","13.3496","0.0002","23.9758","0.0006","20.1328","0.0003","90","","90","","90","","6443.9","0.2","150.01","0.1","150.01","0.1","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C59 H99 Al F K N2 O7 Si2 -","- C59 H99 Al F K N2 O7 Si2 -","- C236 H396 Al4 F4 K4 N8 O28 Si8 -","4","0.5","","Kallmeier, Fabian; Nelmes, Gareth R.; McMullin, Claire L.; Edwards, Alison J.; Hicks, Jamie","Enhancing the nucleophilicity of aluminyl anions: targeting selective C–H activation","Chemical Science","2025","16","24","10750","10758","10.1039/D5SC02682B","","x-ray","1.54184","CuKα","","0.1109","0.0945","","","0.2662","0.2831","","","","","","1.055","","","","has coordinates,has disorder","300543","2025-07-06","13:46:27",""
"1574622","15.8565","0.0003","22.3423","0.0005","19.5531","0.0005","90","","102.317","0.002","90","","6767.6","0.3","150","0.1","150","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C60.5 H112 Al K N2 O7 Si2 -","- C60.5 H112 Al K N2 O7 Si2 -","- C242 H448 Al4 K4 N8 O28 Si8 -","4","1","","Kallmeier, Fabian; Nelmes, Gareth R.; McMullin, Claire L.; Edwards, Alison J.; Hicks, Jamie","Enhancing the nucleophilicity of aluminyl anions: targeting selective C–H activation","Chemical Science","2025","16","24","10750","10758","10.1039/D5SC02682B","","x-ray","1.54184","CuKα","","0.1095","0.0851","","","0.2492","0.2762","","","","","","1.04","","","","has coordinates,has disorder","300543","2025-07-06","13:46:27",""
"1574623","14.8101","0.0004","24.0778","0.0003","22.5799","0.0004","90","","98.984","0.002","90","","7953.1","0.3","150","0.1","150","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C74 H130 Al K N2 O7 Si2 -","- C74 H130 Al K N2 O7 Si2 -","- C296 H520 Al4 K4 N8 O28 Si8 -","4","1","","Kallmeier, Fabian; Nelmes, Gareth R.; McMullin, Claire L.; Edwards, Alison J.; Hicks, Jamie","Enhancing the nucleophilicity of aluminyl anions: targeting selective C–H activation","Chemical Science","2025","16","24","10750","10758","10.1039/D5SC02682B","","x-ray","1.54184","CuKα","","0.1463","0.1124","","","0.2972","0.3242","","","","","","1.049","","","","has coordinates,has disorder","300543","2025-07-06","13:46:27",""
"1574624","13.527","0.0001","23.8483","0.0001","20.0037","0.0001","90","","90","","90","","6453.11","0.06","150","0.1","150","0.1","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C60 H102 Al K N2 O7 Si2 -","- C60 H102 Al K N2 O7 Si2 -","- C240 H408 Al4 K4 N8 O28 Si8 -","4","0.5","","Kallmeier, Fabian; Nelmes, Gareth R.; McMullin, Claire L.; Edwards, Alison J.; Hicks, Jamie","Enhancing the nucleophilicity of aluminyl anions: targeting selective C–H activation","Chemical Science","2025","16","24","10750","10758","10.1039/D5SC02682B","","x-ray","1.54184","CuKα","","0.0795","0.0772","","","0.224","0.2269","","","","","","1.082","","","","has coordinates,has disorder","300543","2025-07-06","13:46:27",""
"1574625","20.4545","0.0003","14.2108","0.0002","45.7301","0.0008","90","","96.745","0.002","90","","13200.6","0.4","150","0.1","150","0.1","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C151 H177 Al2 K2 N4 O4 -","- C151 H177 Al2 K2 N4 O4 -","- C604 H708 Al8 K8 N16 O16 -","4","1","","Kallmeier, Fabian; Nelmes, Gareth R.; McMullin, Claire L.; Edwards, Alison J.; Hicks, Jamie","Enhancing the nucleophilicity of aluminyl anions: targeting selective C–H activation","Chemical Science","2025","16","24","10750","10758","10.1039/D5SC02682B","","x-ray","1.54184","CuKα","","0.1149","0.0863","","","0.2152","0.2317","","","","","","1.093","","","","has coordinates,has disorder","300543","2025-07-06","13:46:27",""
"1574626","11.5727","0.0001","26.0715","0.0004","28.9632","0.0004","88.405","0.001","79.773","0.001","89.78","0.001","8596.53","0.19","150.01","0.1","150.15","","","","","","","","","7","P -1","-P 1","2","","","","- C175 H253 Al2 K2 N4 O16 Si4 -","- C175 H253 Al2 K2 N4 O16 Si4 -","- C350 H506 Al4 K4 N8 O32 Si8 -","2","1","","Kallmeier, Fabian; Nelmes, Gareth R.; McMullin, Claire L.; Edwards, Alison J.; Hicks, Jamie","Enhancing the nucleophilicity of aluminyl anions: targeting selective C–H activation","Chemical Science","2025","16","24","10750","10758","10.1039/D5SC02682B","","","1.54184","CuKα","","0.0852","0.0745","","","0.2061","0.217","","","","","","1.021","","","","has coordinates,has disorder","300543","2025-07-06","13:46:27",""
"1574638","8.9792","0.001","6.2593","0.0006","11.4802","0.0013","90","","111.827","0.013","90","","598.97","0.12","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C13 H16 O2 -","- C13 H16 O2 -","- C26 H32 O4 -","2","1","","Shao, Sufang; Yuan, Yang; Schmoll, Alban; Wu, Xiao-Feng","Copper-catalyzed asymmetric carbonylative hydroallylation of vinylarenes","Chemical Science","2025","16","24","10951","10956","10.1039/D5SC02421H","","x-ray","1.54184","CuKα","","0.059","0.0429","","","0.1183","0.1383","","","","","","0.929","","","","has coordinates","300545","2025-07-06","13:46:53",""
"1574639","7.7707","0.0003","8.041","0.0003","19.5459","0.0007","90","","90","","90","","1221.31","0.08","99.99","0.1","99.99","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C6 H14 Br3 Mn N O -","- C6 H14 Br3 Mn N O -","- C24 H56 Br12 Mn4 N4 O4 -","4","1","","Wang, Fei; Li, Xingjun; Chen, Tianqi; Wang, Liqing; Li, Chenliang; Zhang, Wei; Yuan, Wen; Lu, Shan; Li, Lina; Chen, Xueyuan","A strategy of chiral cation coordination to achieve a large luminescence dissymmetry factor in 1D hybrid manganese halides","Chemical Science","2025","16","24","11012","11020","10.1039/D5SC01615K","","x-ray","0.71073","MoKα","","0.0275","0.0215","","","0.0401","0.041","","","","","","1.002","","","","has coordinates","300548","2025-07-06","13:47:43",""
"1574640","7.7824","0.0004","8.0325","0.0004","19.5413","0.0008","90","","90","","90","","1221.57","0.1","100","0.1","100","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C6 H14 Br3 Mn N O -","- C6 H14 Br3 Mn N O -","- C24 H56 Br12 Mn4 N4 O4 -","4","1","","Wang, Fei; Li, Xingjun; Chen, Tianqi; Wang, Liqing; Li, Chenliang; Zhang, Wei; Yuan, Wen; Lu, Shan; Li, Lina; Chen, Xueyuan","A strategy of chiral cation coordination to achieve a large luminescence dissymmetry factor in 1D hybrid manganese halides","Chemical Science","2025","16","24","11012","11020","10.1039/D5SC01615K","","x-ray","0.71073","MoKα","","0.0394","0.0329","","","0.0711","0.0737","","","","","","1.045","","","","has coordinates","300548","2025-07-06","13:47:43",""
"1574641","13.099","0.0003","13.099","0.0003","13.416","0.0004","90","","90","","120","","1993.56","0.09","200","","200","","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C9 H23 Cd5 N37 O10 -","- C9 H23.0004 Cd5 N37 O10 -","- C18 H46.0008 Cd10 N74 O20 -","2","0.0833333","","Wang, Jia-Wen; Fan, Shu-Cong; Yuan, Wenyu; Wang, Ying; Zhai, Quan-Guo","Inter-cluster-linker-absence-enabled sub-Ångstrom pore modulation in a metal–organic framework for multi-scenario CO2 capture","Chemical Science","2025","16","25","11447","11455","10.1039/D5SC02144H","","","0.71073","MoKα","","0.0752","0.0752","","","0.1903","0.1903","","","","","","1.15","","","","has coordinates,has disorder","300621","2025-07-06","14:26:51",""
"1574650","11.5762","0.0006","19.2982","0.0011","13.3269","0.0007","90","","99.97","0.002","90","","2932.3","0.3","100","2","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H41 B N2 -","- C36 H41 B N2 -","- C144 H164 B4 N8 -","4","1","","Zhang, Chonghe; Dabringhaus, Philipp; Tra, Bi Youan E.; Gilliard, Robert J.; Cummins, Christopher C.","Hexamethylbenzene elimination enables the generation of transient, sterically unhindered multiply bonded boron species","Chemical Science","2025","16","26","11841","11848","10.1039/D5SC02645H","","","0.71073","MoKα","","0.0731","0.044","","","0.1089","0.1159","","","","","","1.002","","","","has coordinates","300564","2025-07-06","13:59:58",""
"1574651","5.7579","0.0004","15.6788","0.0011","16.3799","0.0011","90","","94.763","0.003","90","","1473.62","0.18","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 B N4 -","- C18 H15 B N4 -","- C72 H60 B4 N16 -","4","1","","Zhang, Chonghe; Dabringhaus, Philipp; Tra, Bi Youan E.; Gilliard, Robert J.; Cummins, Christopher C.","Hexamethylbenzene elimination enables the generation of transient, sterically unhindered multiply bonded boron species","Chemical Science","2025","16","26","11841","11848","10.1039/D5SC02645H","","","0.71073","MoKα","","0.0722","0.0469","","","0.0996","0.1141","","","","","","1.05","","","","has coordinates","300564","2025-07-06","14:00:00",""
"1574652","10.2681","0.0002","17.857","0.0004","15.4419","0.0003","90","","100.302","0.001","90","","2785.74","0.1","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C35 H44 B N -","- C35 H44 B N -","- C140 H176 B4 N4 -","4","1","","Zhang, Chonghe; Dabringhaus, Philipp; Tra, Bi Youan E.; Gilliard, Robert J.; Cummins, Christopher C.","Hexamethylbenzene elimination enables the generation of transient, sterically unhindered multiply bonded boron species","Chemical Science","2025","16","26","11841","11848","10.1039/D5SC02645H","","","0.71073","MoKα","","0.0521","0.0457","","","0.1124","0.1172","","","","","","1.072","","","","has coordinates","300564","2025-07-06","14:00:01",""
"1574653","11.0019","0.0008","13.4954","0.0011","16.5173","0.0012","90","","100.269","0.003","90","","2413.1","0.3","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H34 B N O -","- C28 H34 B N O -","- C112 H136 B4 N4 O4 -","4","1","","Zhang, Chonghe; Dabringhaus, Philipp; Tra, Bi Youan E.; Gilliard, Robert J.; Cummins, Christopher C.","Hexamethylbenzene elimination enables the generation of transient, sterically unhindered multiply bonded boron species","Chemical Science","2025","16","26","11841","11848","10.1039/D5SC02645H","","","0.71073","MoKα","","0.0497","0.0475","","","0.1246","0.1268","","","","","","1.051","","","","has coordinates","300564","2025-07-06","14:00:09",""
"1574654","10.8373","0.0005","12.1312","0.0007","13.6657","0.0007","84.39","0.002","72.008","0.002","68.497","0.002","1589.59","0.15","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C78 H76 B2 N6 -","- C78 H76 B2 N6 -","- C78 H76 B2 N6 -","1","0.5","","Zhang, Chonghe; Dabringhaus, Philipp; Tra, Bi Youan E.; Gilliard, Robert J.; Cummins, Christopher C.","Hexamethylbenzene elimination enables the generation of transient, sterically unhindered multiply bonded boron species","Chemical Science","2025","16","26","11841","11848","10.1039/D5SC02645H","","","0.71073","MoKα","","0.0621","0.0604","","","0.1492","0.1507","","","","","","1.021","","","","has coordinates,has disorder","300564","2025-07-06","14:00:10",""
"1574655","20.64","0.002","13.099","0.002","22.222","0.003","90","","96.787","0.007","90","","5965.9","1.3","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C37 H43 B N2 O -","- C37 H43 B N2 O -","- C296 H344 B8 N16 O8 -","8","1","","Zhang, Chonghe; Dabringhaus, Philipp; Tra, Bi Youan E.; Gilliard, Robert J.; Cummins, Christopher C.","Hexamethylbenzene elimination enables the generation of transient, sterically unhindered multiply bonded boron species","Chemical Science","2025","16","26","11841","11848","10.1039/D5SC02645H","","","0.71073","MoKα","","0.0787","0.0529","","","0.1245","0.1426","","","","","","1.038","","","","has coordinates","300564","2025-07-06","14:00:11",""
"1574656","13.063","0.003","15.942","0.003","21.12","0.005","92.077","0.008","107.094","0.008","109.231","0.007","3926","1.5","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C72 H64 B3 F15 N2 -","- C72 H64 B3 F15 N2 -","- C144 H128 B6 F30 N4 -","2","1","","Zhang, Chonghe; Dabringhaus, Philipp; Tra, Bi Youan E.; Gilliard, Robert J.; Cummins, Christopher C.","Hexamethylbenzene elimination enables the generation of transient, sterically unhindered multiply bonded boron species","Chemical Science","2025","16","26","11841","11848","10.1039/D5SC02645H","","","0.71073","MoKα","","0.092","0.0713","","","0.1747","0.1897","","","","","","1.02","","","","has coordinates,has disorder","300564","2025-07-06","14:00:20",""
"1574657","17.458","0.0013","14.7741","0.0011","16.2688","0.0012","90","","104.417","0.002","90","","4064","0.5","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C45 H50 B N3 -","- C45 H50 B N3 -","- C180 H200 B4 N12 -","4","1","","Zhang, Chonghe; Dabringhaus, Philipp; Tra, Bi Youan E.; Gilliard, Robert J.; Cummins, Christopher C.","Hexamethylbenzene elimination enables the generation of transient, sterically unhindered multiply bonded boron species","Chemical Science","2025","16","26","11841","11848","10.1039/D5SC02645H","","","0.71073","MoKα","","0.0943","0.0593","","","0.1312","0.1502","","","","","","1.021","","","","has coordinates","300564","2025-07-06","14:00:21",""
"1574658","22.8543","0.0011","7.3211","0.0003","19.097","0.001","90","","126.949","0.003","90","","2553.6","0.2","220","","220","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C15 H16 O3 -","- C15 H16 O3 -","- C120 H128 O24 -","8","2","","Pereira, Joan; Casaretto, Nicolas; Frison, Gilles; Nay, Bastien","Bio-inspired total synthesis of daphnepapytone A","Chemical Science","2025","16","25","11375","11380","10.1039/D5SC02953H","","x-ray","0.71073","MoKα","","0.045","0.0357","","","0.0858","0.0882","","","","","","0.988","","","","has coordinates","300622","2025-07-06","14:27:07",""
"1574659","7.2282","0.0008","14.1294","0.0013","13.1197","0.0016","90","","90.972","0.009","90","","1339.7","0.3","150","","150","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H20 O3 -","- C15 H20 O3 -","- C60 H80 O12 -","4","2","","Pereira, Joan; Casaretto, Nicolas; Frison, Gilles; Nay, Bastien","Bio-inspired total synthesis of daphnepapytone A","Chemical Science","2025","16","25","11375","11380","10.1039/D5SC02953H","","x-ray","0.71073","MoKα","","0.1498","0.1276","","","0.3007","0.318","","","","","","1.169","","","","has coordinates","300622","2025-07-06","14:27:07",""
"1574660","17.7579","0.0018","19.141","0.003","7.3717","0.0008","90","","90","","90","","2505.7","0.5","150","","150","","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C15 H18 O2 -","- C15 H18 O2 -","- C120 H144 O16 -","8","2","","Pereira, Joan; Casaretto, Nicolas; Frison, Gilles; Nay, Bastien","Bio-inspired total synthesis of daphnepapytone A","Chemical Science","2025","16","25","11375","11380","10.1039/D5SC02953H","","x-ray","0.71073","MoKα","","0.1761","0.081","","","0.1864","0.2285","","","","","","0.9","","","","has coordinates","300622","2025-07-06","14:27:07",""
"1574661","7.6126","0.0005","7.6126","0.0005","18.9125","0.0015","90","","90","","120","","949.17","0.12","150","","150","","","","","","","","","3","P 32","P 32","145","","","","- C15 H18 O3 -","- C15 H18 O3 -","- C45 H54 O9 -","3","1","","Pereira, Joan; Casaretto, Nicolas; Frison, Gilles; Nay, Bastien","Bio-inspired total synthesis of daphnepapytone A","Chemical Science","2025","16","25","11375","11380","10.1039/D5SC02953H","","x-ray","0.71073","MoKα","","0.0406","0.0335","","","0.0718","0.0727","","","","","","0.985","","","","has coordinates","300622","2025-07-06","14:27:07",""
"1574662","9.7955","0.001","10.5156","0.0016","12.1712","0.0012","90","","90","","90","","1253.7","0.3","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 O2 -","- C15 H18 O2 -","- C60 H72 O8 -","4","1","","Pereira, Joan; Casaretto, Nicolas; Frison, Gilles; Nay, Bastien","Bio-inspired total synthesis of daphnepapytone A","Chemical Science","2025","16","25","11375","11380","10.1039/D5SC02953H","","x-ray","0.71073","MoKα","","0.0494","0.0376","","","0.083","0.0855","","","","","","0.972","","","","has coordinates","300622","2025-07-06","14:27:07",""
"1574663","9.4319","0.0003","5.7056","0.0002","23.0001","0.0006","90","","95.478","0.002","90","","1232.09","0.07","150","","150","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H18 O2 -","- C15 H18 O2 -","- C60 H72 O8 -","4","2","","Pereira, Joan; Casaretto, Nicolas; Frison, Gilles; Nay, Bastien","Bio-inspired total synthesis of daphnepapytone A","Chemical Science","2025","16","25","11375","11380","10.1039/D5SC02953H","","x-ray","0.71073","MoKα","","0.0397","0.035","","","0.0963","0.0981","","","","","","1.067","","","","has coordinates","300622","2025-07-06","14:27:07",""
"1574664","7.43","0.0006","10.0076","0.0008","14.9814","0.0012","96.641","0.006","101.339","0.006","99.843","0.007","1063.22","0.15","150","","150","","","","","","","","","4","P 1","P 1","1","","","","- C21 H34 O2 Si -","- C21 H34 O2 Si -","- C42 H68 O4 Si2 -","2","2","","Pereira, Joan; Casaretto, Nicolas; Frison, Gilles; Nay, Bastien","Bio-inspired total synthesis of daphnepapytone A","Chemical Science","2025","16","25","11375","11380","10.1039/D5SC02953H","","x-ray","0.71073","MoKα","","0.096","0.0713","","","0.1761","0.1893","","","","","","0.961","","","","has coordinates,has disorder","300622","2025-07-06","14:27:07",""
"1574665","8.8918","0.0003","10.034","0.0004","13.7443","0.0006","90","","90","","90","","1226.27","0.08","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H16 O3 -","- C15 H16 O3 -","- C60 H64 O12 -","4","1","","Pereira, Joan; Casaretto, Nicolas; Frison, Gilles; Nay, Bastien","Bio-inspired total synthesis of daphnepapytone A","Chemical Science","2025","16","25","11375","11380","10.1039/D5SC02953H","","x-ray","0.71073","MoKα","","0.0388","0.0355","","","0.0976","0.0988","","","","","","1.095","","","","has coordinates","300622","2025-07-06","14:27:07",""
"1574666","8.2636","0.0003","10.5834","0.0004","12.5316","0.0004","72.073","0.001","74.008","0.001","67.285","0.001","946.44","0.06","300","2","300","","","","","","","","","5","P -1","-P 1","2","","","","- C19 H18 N2 O6 S -","- C19 H18 N2 O6 S -","- C38 H36 N4 O12 S2 -","2","1","","Morales-Ortega, Guillermo; Merino, Estíbaliz; Carreras, Javier","Visible-light-initiated metal-free Csp3–Csp3 to Csp3–N conversion in homobenzylic sulfonamides with N-iodoimides","Chemical Science","2025","16","25","11413","11418","10.1039/D5SC02168E","","","1.54178","CuKα","","0.0533","0.0458","","","0.1184","0.1286","","","","","","1.061","","","","has coordinates","300616","2025-07-06","14:22:43",""
"1574667","17.5314","0.0003","17.5314","0.0003","17.5314","0.0003","90","","90","","90","","5388.28","0.16","150","0.2","150","0.2","","","","","","","","5","F -4 3 c","F -4a 2 3","219","","","","- C12 H36 K4 O4 Si4 -","- C12 H36 K4 O4 Si4 -","- C96 H288 K32 O32 Si32 -","8","0.0833333","","Yang, Xiao; Davison, Nathan; Lowe, Matthew E.; Waddell, Paul G.; Armstrong, Roly J.; McMullin, Claire L.; Hopkinson, Matthew N.; Lu, Erli","CO methylenation mediated by organo-alkali metal reagents: metal identity and ligand effects","Chemical Science","2025","16","24","11151","11160","10.1039/D5SC02313K","","x-ray","1.54184","CuKα","","0.0194","0.0185","","","0.051","0.0517","","","","","","1.12","","","","has coordinates","300540","2025-07-06","13:45:00",""
"1574668","12.8781","0.0002","16.8307","0.0002","19.5417","0.0002","100.859","0.001","90.423","0.001","94.841","0.001","4143.76","0.09","150","0.2","150","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C82 H112 K4 O4 Si4 -","- C82 H112 K4 O4 Si4 -","- C164 H224 K8 O8 Si8 -","2","1","","Yang, Xiao; Davison, Nathan; Lowe, Matthew E.; Waddell, Paul G.; Armstrong, Roly J.; McMullin, Claire L.; Hopkinson, Matthew N.; Lu, Erli","CO methylenation mediated by organo-alkali metal reagents: metal identity and ligand effects","Chemical Science","2025","16","24","11151","11160","10.1039/D5SC02313K","","x-ray","1.54184","CuKα","","0.0596","0.0486","","","0.1157","0.121","","","","","","1.062","","","","has coordinates,has disorder","300540","2025-07-06","13:45:01",""
"1574669","13.6332","0.0002","18.0507","0.0003","21.0915","0.0003","90","","95.283","0.001","90","","5168.33","0.14","110.07","0.12","110.07","0.12","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H68 B10 Bi I N4 Si2 -","- C32 H56 B10 Bi I N4 Si2 -","- C128 H224 B40 Bi4 I4 N16 Si8 -","4","1","","Xu, Jian; Yao, Shenglai; Postils, Verònica; Matito, Eduard; Lorent, Christian; Driess, Matthias","Isolable monoatomic monovalent bismuth complexes with a redox non-innocent bis-silylenyl carborane ligand","Chemical Science","2025","16","24","10826","10832","10.1039/D5SC02644J","","","1.54184","CuKα","","0.0345","0.0319","","","0.08","0.0818","","","","","","1.027","","","","has coordinates","300538","2025-07-06","13:44:20",""
"1574670","10.0567","0.0004","14.8404","0.0006","19.9981","0.0008","70.8","0.004","86.199","0.003","84.365","0.003","2803.2","0.2","111.5","0.6","111.5","0.6","","","","","","","","8","P -1","-P 1","2","","","","- C88 H160 B20 Bi2 K2 N8 O6 Si4 -","- C88 H160 B20 Bi2 K2 N8 O6 Si4 -","- C88 H160 B20 Bi2 K2 N8 O6 Si4 -","1","0.5","","Xu, Jian; Yao, Shenglai; Postils, Verònica; Matito, Eduard; Lorent, Christian; Driess, Matthias","Isolable monoatomic monovalent bismuth complexes with a redox non-innocent bis-silylenyl carborane ligand","Chemical Science","2025","16","24","10826","10832","10.1039/D5SC02644J","","","1.54184","CuKα","","0.0526","0.0448","","","0.1134","0.1207","","","","","","1.034","","","","has coordinates,has disorder","300538","2025-07-06","13:44:21",""
"1574671","15.6606","0.0001","10.1951","0.0001","27.7238","0.0002","90","","93.696","0.001","90","","4417.21","0.06","110","1","110.15","","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C33 H56 B10 Bi F3 N4 O3 S Si2 -","- C33 H56 B10 Bi F3 N4 O3 S Si2 -","- C132 H224 B40 Bi4 F12 N16 O12 S4 Si8 -","4","1","","Xu, Jian; Yao, Shenglai; Postils, Verònica; Matito, Eduard; Lorent, Christian; Driess, Matthias","Isolable monoatomic monovalent bismuth complexes with a redox non-innocent bis-silylenyl carborane ligand","Chemical Science","2025","16","24","10826","10832","10.1039/D5SC02644J","","","1.54184","CuKα","","0.024","0.0228","","","0.0591","0.06","","","","","","1.04","","","","has coordinates","300538","2025-07-06","13:44:21",""
"1574672","23.2329","0.0004","18.601","0.0004","13.6308","0.0003","90","","90","","90","","5890.6","0.2","110.07","0.12","111.15","","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C46 H72 B10 Bi N4 Si2 -","- C32 H56 B10 Bi N4 Si2 -","- C128 H224 B40 Bi4 N16 Si8 -","4","0.25","","Xu, Jian; Yao, Shenglai; Postils, Verònica; Matito, Eduard; Lorent, Christian; Driess, Matthias","Isolable monoatomic monovalent bismuth complexes with a redox non-innocent bis-silylenyl carborane ligand","Chemical Science","2025","16","24","10826","10832","10.1039/D5SC02644J","","","1.54184","CuKα","","0.0611","0.0561","","","0.1501","0.1545","","","","","","1.096","","","","has coordinates,has disorder","300538","2025-07-06","13:44:21",""
"1574673","16.1469","0.0004","18.081","0.0003","18.3593","0.0004","90","","98.144","0.002","90","","5306","0.2","111.3","0.6","111.15","","","","","","","","","10","P 1 21/n 1","-P 2yn","14","","","","- C36 H61 B10 Bi Cl2 F6 N4 O6 S2 Si2 -","- C36 H61 B10 Bi Cl2 F6 N4 O6 S2 Si2 -","- C144 H244 B40 Bi4 Cl8 F24 N16 O24 S8 Si8 -","4","1","","Xu, Jian; Yao, Shenglai; Postils, Verònica; Matito, Eduard; Lorent, Christian; Driess, Matthias","Isolable monoatomic monovalent bismuth complexes with a redox non-innocent bis-silylenyl carborane ligand","Chemical Science","2025","16","24","10826","10832","10.1039/D5SC02644J","","","1.54184","CuKα","","0.0799","0.062","","","0.1785","0.2149","","","","","","1.042","","","","has coordinates,has disorder","300538","2025-07-06","13:44:21",""
"1574674","14.6563","0.0015","21.5556","0.0019","11.8123","0.0012","90","","102.996","0.003","90","","3636.2","0.6","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H12 N5 O16 Zr -","- C35 H12 N5 O16 Zr -","- C140 H48 N20 O64 Zr4 -","4","1","","Li, Ying-Lin; Li, Ning; Mei, Zhi-Bin; Li, Jun-Rong; Yao, Su-Juan; Yu, Fei; Li, Shun-Li; Lin, Jiao-Min; Liu, Jiang; Lan, Ya-Qian","Achieving highly efficient carbon radical-mediated cross-coupling reaction in a confined radical microenvironment within a metal–organic framework","Chemical Science","2025","16","26","11939","11948","10.1039/D5SC01242B","","","0.71073","MoKα","","0.0896","0.0642","","","0.1597","0.1763","","","","","","1.024","","","","has coordinates","300569","2025-07-06","14:02:30",""
"1574675","14.6361","0.0014","21.52","0.002","11.8409","0.0013","90","","103.015","0.004","90","","3633.7","0.6","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H19 Hf0.99 N6 O17 -","- C38 H19 Hf0.986 N6 O17 -","- C152 H76 Hf3.944 N24 O68 -","4","1","","Li, Ying-Lin; Li, Ning; Mei, Zhi-Bin; Li, Jun-Rong; Yao, Su-Juan; Yu, Fei; Li, Shun-Li; Lin, Jiao-Min; Liu, Jiang; Lan, Ya-Qian","Achieving highly efficient carbon radical-mediated cross-coupling reaction in a confined radical microenvironment within a metal–organic framework","Chemical Science","2025","16","26","11939","11948","10.1039/D5SC01242B","","","0.71073","MoKα","","0.0276","0.0258","","","0.0672","0.0682","","","","","","1.077","","","","has coordinates","300569","2025-07-06","14:02:31",""
"1574676","67.056","0.008","6.1193","0.0007","11.4807","0.0013","90","","90","","90","","4710.9","0.9","100","2","100","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C12 H23 N14 O16 Y -","- C12 H23 N14 O16 Y -","- C96 H184 N112 O128 Y8 -","8","0.5","","Zhang, Jing; Liu, Yuxiao; Wang, Fangyan; Gong, Pifu; Li, Zhaoyi; Zhang, Xinyuan; Liang, Fei; Guo, Shu; Hu, Zhanggui; Wu, Yicheng","“Three functions in one”: multifunctional rare-earth cyamelurates with magnetism, luminescence, and giant optical nonlinearity","Chemical Science","2025","16","24","10983","10989","10.1039/D5SC01230A","","","0.71073","MoKα","","0.0801","0.0728","","","0.215","0.2251","","","","","","1.094","","","","has coordinates","300549","2025-07-06","13:47:55",""
"1574677","66.982","0.003","6.1537","0.0002","11.6511","0.0004","90","","90","","90","","4802.4","0.3","273.15","","273.15","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C12 H23 Lu N14 O16 -","- C12 H23 Lu N14 O16 -","- C96 H184 Lu8 N112 O128 -","8","0.5","","Zhang, Jing; Liu, Yuxiao; Wang, Fangyan; Gong, Pifu; Li, Zhaoyi; Zhang, Xinyuan; Liang, Fei; Guo, Shu; Hu, Zhanggui; Wu, Yicheng","“Three functions in one”: multifunctional rare-earth cyamelurates with magnetism, luminescence, and giant optical nonlinearity","Chemical Science","2025","16","24","10983","10989","10.1039/D5SC01230A","","","0.71073","MoKα","","0.0532","0.0492","","","0.1496","0.1538","","","","","","1.146","","","","has coordinates","300549","2025-07-06","13:47:57",""
"1574678","67.4247","0.0014","6.1474","0.0001","11.6319","0.0003","90","","90","","90","","4821.27","0.18","273.15","","273.15","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C12 H23 Gd N14 O16 -","- C12 H23 Gd N14 O16 -","- C96 H184 Gd8 N112 O128 -","8","0.5","","Zhang, Jing; Liu, Yuxiao; Wang, Fangyan; Gong, Pifu; Li, Zhaoyi; Zhang, Xinyuan; Liang, Fei; Guo, Shu; Hu, Zhanggui; Wu, Yicheng","“Three functions in one”: multifunctional rare-earth cyamelurates with magnetism, luminescence, and giant optical nonlinearity","Chemical Science","2025","16","24","10983","10989","10.1039/D5SC01230A","","","0.71073","MoKα","","0.0645","0.0566","","","0.1732","0.1808","","","","","","1.13","","","","has coordinates","300549","2025-07-06","13:47:57",""
"1574679","9.06","0.004","10.028","0.005","13.559","0.006","90","","109.52","","90","","1161.1","0.9","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H21 Br N O -","- C8 H21 Br N O -","- C32 H84 Br4 N4 O4 -","4","1","","Li, Anze; Zhao, Zihao; Yang, Guangxin; Zhang, Qiang; Chen, Xiang; Yuan, Wang Zhang","Polymorphism and phase transformation tuned luminescence and mechanistic insights in nonconventional luminophores","Chemical Science","2025","16","25","11530","11538","10.1039/D5SC02250A","","","1.54178","CuKα","","0.0383","0.0291","","","0.0789","0.0831","","","","","","1.093","","","","has coordinates","300615","2025-07-06","14:21:56",""
"1574680","11.9427","0.0002","11.6291","0.0002","28.3098","0.0004","90","","90","","90","","3931.75","0.11","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","10-Br-b","","- C16 H38 Br2 N2 -","- C16 H38 Br2 N2 -","- C128 H304 Br16 N16 -","8","1","","Li, Anze; Zhao, Zihao; Yang, Guangxin; Zhang, Qiang; Chen, Xiang; Yuan, Wang Zhang","Polymorphism and phase transformation tuned luminescence and mechanistic insights in nonconventional luminophores","Chemical Science","2025","16","25","11530","11538","10.1039/D5SC02250A","","","1.54184","CuKα","","0.0265","0.0238","","","0.0564","0.0578","","","","","","1.01","","","","has coordinates","300615","2025-07-06","14:21:57",""
"1574681","7.1074","0.0004","9.9391","0.0006","10.6725","0.0007","66.333","0.003","86.755","0.002","85.466","0.002","688.09","0.07","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","10-I-MeCN","","- C20 H44 I2 N4 -","- C20 H44 I2 N4 -","- C20 H44 I2 N4 -","1","0.5","","Li, Anze; Zhao, Zihao; Yang, Guangxin; Zhang, Qiang; Chen, Xiang; Yuan, Wang Zhang","Polymorphism and phase transformation tuned luminescence and mechanistic insights in nonconventional luminophores","Chemical Science","2025","16","25","11530","11538","10.1039/D5SC02250A","","","0.71073","MoKα","","0.0303","0.0246","","","0.0524","0.0571","","","","","","1.019","","","","has coordinates","300615","2025-07-06","14:22:06",""
"1574682","18.646","0.003","13.3913","0.0014","14.6422","0.0018","90","","135.346","0.003","90","","2569.6","0.6","175","2","175","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","10-I-MeOH","","- C16 H38 I2 N2 -","- C16 H38 I2 N2 -","- C64 H152 I8 N8 -","4","0.5","","Li, Anze; Zhao, Zihao; Yang, Guangxin; Zhang, Qiang; Chen, Xiang; Yuan, Wang Zhang","Polymorphism and phase transformation tuned luminescence and mechanistic insights in nonconventional luminophores","Chemical Science","2025","16","25","11530","11538","10.1039/D5SC02250A","","","0.71073","MoKα","","0.03","0.027","","","0.0706","0.0737","","","","","","1.038","","","","has coordinates","300615","2025-07-06","14:22:09",""
"1574683","7.9725","0.0003","10.1116","0.0002","12.9668","0.0003","90","","103.377","0.003","90","","1016.95","0.05","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","8-Br-a","","- C14 H38 Br2 N2 O2 -","- C14 H38 Br2 N2 O2 -","- C28 H76 Br4 N4 O4 -","2","0.5","","Li, Anze; Zhao, Zihao; Yang, Guangxin; Zhang, Qiang; Chen, Xiang; Yuan, Wang Zhang","Polymorphism and phase transformation tuned luminescence and mechanistic insights in nonconventional luminophores","Chemical Science","2025","16","25","11530","11538","10.1039/D5SC02250A","","","1.54184","CuKα","","0.0166","0.016","","","0.042","0.0423","","","","","","1.024","","","","has coordinates","300615","2025-07-06","14:22:18",""
"1574684","5.8652","0.0001","12.012","0.0002","13.5766","0.0002","90","","98.999","0.002","90","","944.74","0.03","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","8-Br-b","","- C14 H34 Br2 N2 -","- C14 H34 Br2 N2 -","- C28 H68 Br4 N4 -","2","0.5","","Li, Anze; Zhao, Zihao; Yang, Guangxin; Zhang, Qiang; Chen, Xiang; Yuan, Wang Zhang","Polymorphism and phase transformation tuned luminescence and mechanistic insights in nonconventional luminophores","Chemical Science","2025","16","25","11530","11538","10.1039/D5SC02250A","","","1.54184","CuKα","","0.0215","0.02","","","0.0518","0.0527","","","","","","1.035","","","","has coordinates","300615","2025-07-06","14:22:21",""
"1574685","18.6422","0.0008","13.4664","0.0005","13.1607","0.001","90","","128.465","0.001","90","","2586.9","0.2","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","10-I-H2O","","- C16 H38 I2 N2 -","- C16 H38 I2 N2 -","- C64 H152 I8 N8 -","4","0.5","","Li, Anze; Zhao, Zihao; Yang, Guangxin; Zhang, Qiang; Chen, Xiang; Yuan, Wang Zhang","Polymorphism and phase transformation tuned luminescence and mechanistic insights in nonconventional luminophores","Chemical Science","2025","16","25","11530","11538","10.1039/D5SC02250A","","","0.71073","MoKα","","0.069","0.039","","","0.1023","0.1161","","","","","","1.085","","","","has coordinates","300615","2025-07-06","14:22:33",""
"1574686","14.1034","0.0001","14.1034","0.0001","11.6089","0.0001","90","","90","","90","","2309.08","0.03","93.15","","93.15","","","","","","","","","4","P -4","P -4","81","","","","- C32 H20 N4 O2 -","- C32 H20 N4 O2 -","- C128 H80 N16 O8 -","4","1","","Yagami, Ryota; Xu, Wei; Kobayashi, Toi; Nagata, Yuuya; Kumagai, Naoya","iso-TEtraQuinoline (i-TEQ): an inherently chiral N4 macrocyclic quinoline tetramer","Chemical Science","2025","16","24","10714","10721","10.1039/D5SC02937F","","x-ray","1.54184","CuKα","","0.031","0.0276","","","0.0679","0.0693","","","","","","1.089","","","","has coordinates","300546","2025-07-06","13:47:21",""
"1574687","12.364","0.0001","35.4478","0.0002","13.1495","0.0001","90","","90","","90","","5763.12","0.07","93.15","","93.15","","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C30 H17 Br N2 O3 S -","- C30 H17 Br N2 O3 S -","- C240 H136 Br8 N16 O24 S8 -","8","1","","Yagami, Ryota; Xu, Wei; Kobayashi, Toi; Nagata, Yuuya; Kumagai, Naoya","iso-TEtraQuinoline (i-TEQ): an inherently chiral N4 macrocyclic quinoline tetramer","Chemical Science","2025","16","24","10714","10721","10.1039/D5SC02937F","","x-ray","1.54184","CuKα","","0.0964","0.0888","","","0.2416","0.2487","","","","","","1.099","","","","has coordinates","300546","2025-07-06","13:47:22",""
"1574688","20.0536","0.0001","20.0536","0.0001","24.3689","0.0002","90","","90","","90","","9799.88","0.11","93.15","","93.15","","","","","","","","","7","P 4/n c c :2","-P 4a 2ac","130","","","","- C50 H32 B2 F8 N4 O2 Pd -","- C50 H32 B1.5 F6 N4 O2 Pd -","- C400 H256 B12 F48 N32 O16 Pd8 -","8","0.5","","Yagami, Ryota; Xu, Wei; Kobayashi, Toi; Nagata, Yuuya; Kumagai, Naoya","iso-TEtraQuinoline (i-TEQ): an inherently chiral N4 macrocyclic quinoline tetramer","Chemical Science","2025","16","24","10714","10721","10.1039/D5SC02937F","","x-ray","1.54184","CuKα","","0.0469","0.0408","","","0.1194","0.1249","","","","","","1.073","","","","has coordinates","301209","2025-07-10","11:18:53",""
"1574689","11.2428","0.0001","12.0593","0.0001","16.9374","0.0002","97.179","0.001","90.825","0.001","103.73","0.001","2210.96","0.04","93.15","","93.15","","","","","","","","","3","P -1","-P 1","2","","","","- C64 H40 N8 -","- C64 H40 N8 -","- C128 H80 N16 -","2","1","","Yagami, Ryota; Xu, Wei; Kobayashi, Toi; Nagata, Yuuya; Kumagai, Naoya","iso-TEtraQuinoline (i-TEQ): an inherently chiral N4 macrocyclic quinoline tetramer","Chemical Science","2025","16","24","10714","10721","10.1039/D5SC02937F","","x-ray","1.54184","CuKα","","0.0463","0.0393","","","0.0898","0.0995","","","","","","1.054","","","","has coordinates","300546","2025-07-06","13:47:22",""
"1574690","33.5543","0.0002","14.9016","0.0001","18.9507","0.0001","90","","91.387","0.001","90","","9472.82","0.1","93.15","","93.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C52 H36 Cl4 N4 O2 -","- C52 H36 Cl4 N4 O2 -","- C416 H288 Cl32 N32 O16 -","8","1","","Yagami, Ryota; Xu, Wei; Kobayashi, Toi; Nagata, Yuuya; Kumagai, Naoya","iso-TEtraQuinoline (i-TEQ): an inherently chiral N4 macrocyclic quinoline tetramer","Chemical Science","2025","16","24","10714","10721","10.1039/D5SC02937F","","x-ray","1.54184","CuKα","","0.0643","0.0601","","","0.1689","0.1725","","","","","","1.026","","","","has coordinates","300546","2025-07-06","13:47:22",""
"1574695","13.12","0.003","14.55","0.003","22.23","0.004","90","","97.27","0.03","90","","4209.5","1.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C46 H64 Cl2 O3 -","- C45.9999 H63.9998 Cl1.9999 O3 -","- C184 H255.999 Cl7.9996 O12 -","4","1","","Hillier, Bethany K.; de Clercq, Damon M.; Bortolussi, Stephen D. S.; Capomolla, Simona S.; Nielsen, Michael P.; Młodzikowska-Pieńko, Katarzyna; Gershoni-Poranne, Renana; Schmidt, Timothy W.; Peeks, Martin D.","Photoexcited and ground-state diradical(oid) character in a triquino[3]radialene","Chemical Science","2025","16","25","11331","11338","10.1039/D5SC01676B","","","0.71073","Synchrotron","","0.0589","0.0559","","","0.157","0.1594","","","","","","1.055","","","","has coordinates,has disorder","300618","2025-07-06","14:23:09",""
"1574700","12.1999","0.0002","8.1197","0.0002","22.711","0.0005","90","","103.927","0.001","90","","2183.61","0.08","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 Br N O2 -","- C26 H24 Br N O2 -","- C104 H96 Br4 N4 O8 -","4","1","","Du, Hai-Wu; Jia, Jun-Song; Chen, Xiao-Yi; Yuan, Zhang-Yin; Lin, Jia-Ni; Li, Yu-Long; Yu, Qiong; Shu, Wei","Convergent and divergent synthesis of dihydroisoquinoline-1,4-diones enabled by a photocatalytic skeleton-editing [4 + 2] strategy","Chemical Science","2025","16","26","11833","11840","10.1039/D5SC00665A","","","1.54178","CuKα","","0.0235","0.0231","","","0.0601","0.0603","","","","","","1.069","","","","has coordinates","300561","2025-07-06","13:58:30",""
"1574701","13.8148","0.0007","17.2854","0.0008","19.668","0.0009","79.694","0.002","74.868","0.002","68.162","0.002","4190.8","0.4","100","0.2","100","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H25 N O2 -","- C26 H25 N O2 -","- C208 H200 N8 O16 -","8","4","","Du, Hai-Wu; Jia, Jun-Song; Chen, Xiao-Yi; Yuan, Zhang-Yin; Lin, Jia-Ni; Li, Yu-Long; Yu, Qiong; Shu, Wei","Convergent and divergent synthesis of dihydroisoquinoline-1,4-diones enabled by a photocatalytic skeleton-editing [4 + 2] strategy","Chemical Science","2025","16","26","11833","11840","10.1039/D5SC00665A","","x-ray","1.54178","CuKα","","0.0662","0.0486","","","0.1305","0.1463","","","","","","1.028","","","","has coordinates,has disorder","300561","2025-07-06","13:58:36",""
"1574702","9.2113","0.0008","13.5991","0.0011","17.3584","0.0014","98.176","0.001","93.192","0.001","106.95","0.001","2047.9","0.3","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C48 H42 O7 P2 S2 -","- C48 H42 O7 P2 S2 -","- C96 H84 O14 P4 S4 -","2","1","","Sun, Mingxia; Chen, Jia; Zhang, Ting; Xu, Wei; He, Jing; Zhang, Yunyun; Liu, Huifeng; Zhang, Shuang; Wang, Juanjuan; Li, Xin; Yang, Yali; Qiu, Hongdeng","Flexible phosphonium and sulfonate pair-to-pair self-assembled ionic organic single crystals for iodine capture","Chemical Science","2025","16","26","11858","11869","10.1039/D5SC02039E","","","0.71073","MoKα","","0.0674","0.0452","","","0.1171","0.1335","","","","","","0.993","","","","has coordinates","300563","2025-07-06","13:59:19",""
"1574703","13.4375","0.0015","19.787","0.002","18.4255","0.0019","90","","106.827","0.002","90","","4689.4","0.9","296.15","","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H55 O11 P2 S2 -","- C50 H55 O11 P2 S2 -","- C200 H220 O44 P8 S8 -","4","1","","Sun, Mingxia; Chen, Jia; Zhang, Ting; Xu, Wei; He, Jing; Zhang, Yunyun; Liu, Huifeng; Zhang, Shuang; Wang, Juanjuan; Li, Xin; Yang, Yali; Qiu, Hongdeng","Flexible phosphonium and sulfonate pair-to-pair self-assembled ionic organic single crystals for iodine capture","Chemical Science","2025","16","26","11858","11869","10.1039/D5SC02039E","","","0.71073","MoKα","","0.0509","0.0405","","","0.1077","0.1149","","","","","","1.03","","","","has coordinates,has disorder","300563","2025-07-06","13:59:28",""
"1574704","10.5835","0.0013","14.1726","0.0018","17.216","0.002","70.458","0.002","77.061","0.002","71.936","0.002","2292.7","0.5","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C104 H98 O15 P4 S4 -","- C104 H98 O15 P4 S4 -","- C104 H98 O15 P4 S4 -","1","0.5","","Sun, Mingxia; Chen, Jia; Zhang, Ting; Xu, Wei; He, Jing; Zhang, Yunyun; Liu, Huifeng; Zhang, Shuang; Wang, Juanjuan; Li, Xin; Yang, Yali; Qiu, Hongdeng","Flexible phosphonium and sulfonate pair-to-pair self-assembled ionic organic single crystals for iodine capture","Chemical Science","2025","16","26","11858","11869","10.1039/D5SC02039E","","","0.71073","MoKα","","0.0823","0.0567","","","0.1474","0.1682","","","","","","1.043","","","","has coordinates,has disorder","300563","2025-07-06","13:59:28",""
"1574705","11.9946","0.001","20.218","0.0017","17.2493","0.0014","90","","99.561","0.001","90","","4125","0.6","296.15","","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C188 H174 O33 P8 S8 -","- C188 H174 O33 P8 S8 -","- C188 H174 O33 P8 S8 -","1","0.25","","Sun, Mingxia; Chen, Jia; Zhang, Ting; Xu, Wei; He, Jing; Zhang, Yunyun; Liu, Huifeng; Zhang, Shuang; Wang, Juanjuan; Li, Xin; Yang, Yali; Qiu, Hongdeng","Flexible phosphonium and sulfonate pair-to-pair self-assembled ionic organic single crystals for iodine capture","Chemical Science","2025","16","26","11858","11869","10.1039/D5SC02039E","","","0.71073","MoKα","","0.0743","0.0463","","","0.1141","0.1302","","","","","","1.033","","","","has coordinates,has disorder","300563","2025-07-06","13:59:30",""
"1574706","19.0857","0.0003","5.32972","0.00008","31.1946","0.0004","90","","92.5193","0.0014","90","","3170.09","0.08","139.98","0.1","139.98","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H18 O3 S -","- C18 H18 O3 S -","- C144 H144 O24 S8 -","8","1","","Robert, Emma G. L.; Waser, Jerome","Enantioselective synthesis of 1,2-disubstituted thiocyclobutanes via Michael addition","Chemical Science","2025","16","26","12115","12121","10.1039/D5SC01727K","","x-ray","1.54184","CuKα","","0.0438","0.0365","","","0.0948","0.0997","","","","","","1.04","","","","has coordinates,has disorder","300571","2025-07-06","14:03:32",""
"1574707","5.01559","0.00008","9.23324","0.00015","32.6513","0.0005","90","","90","","90","","1512.09","0.04","140","0.1","140","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 N O5 S -","- C16 H17 N O5 S -","- C64 H68 N4 O20 S4 -","4","1","","Robert, Emma G. L.; Waser, Jerome","Enantioselective synthesis of 1,2-disubstituted thiocyclobutanes via Michael addition","Chemical Science","2025","16","26","12115","12121","10.1039/D5SC01727K","","x-ray","1.54184","CuKα","","0.0411","0.0342","","","0.0835","0.0869","","","","","","1.047","","","","has coordinates","300571","2025-07-06","14:03:34",""
"1574708","10.8839","0.0005","12.7424","0.0006","14.5075","0.0006","92.618","0.001","111.642","0.001","95.234","0.001","1855.52","0.14","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H59 Lu N4 O Si2 -","- C30 H59 Lu N4 O Si2 -","- C60 H118 Lu2 N8 O2 Si4 -","2","1","","Chai, Fuxiang; Wu, Weikang; Rajeshkumar, Thayalan; Huang, Zeming; Yuan, Qingbing; Wei, Yun; Maron, Laurent; Wang, Shaowu","Unique selectivity of rare-earth metal ambiphilic carbenes towards organic molecules and novel reactivity patterns with isonitriles","Chemical Science","2025","16","26","11870","11887","10.1039/D5SC01502B","","","0.71073","MoKα","","0.0885","0.0509","","","0.0802","0.0913","","","","","","1.076","","","","has coordinates,has disorder","300568","2025-07-06","14:02:19",""
"1574709","10.8997","0.0006","12.7508","0.0007","14.5651","0.0008","92.614","0.002","111.711","0.002","95.266","0.002","1865.78","0.18","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H59 N4 O Si2 Yb -","- C30 H59 N4 O Si2 Yb -","- C60 H118 N8 O2 Si4 Yb2 -","2","1","","Chai, Fuxiang; Wu, Weikang; Rajeshkumar, Thayalan; Huang, Zeming; Yuan, Qingbing; Wei, Yun; Maron, Laurent; Wang, Shaowu","Unique selectivity of rare-earth metal ambiphilic carbenes towards organic molecules and novel reactivity patterns with isonitriles","Chemical Science","2025","16","26","11870","11887","10.1039/D5SC01502B","","","0.71073","MoKα","","0.0381","0.0276","","","0.063","0.0655","","","","","","1.033","","","","has coordinates,has disorder","300568","2025-07-06","14:02:20",""
"1574710","19.6499","0.0006","12.8542","0.0006","14.7748","0.0006","90","","90","","90","","3731.9","0.3","298","2","298","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C31 H55 B10 Dy N4 O -","- C30.5 H55 B10 Dy N4 O -","- C122 H220 B40 Dy4 N16 O4 -","4","0.5","","Chai, Fuxiang; Wu, Weikang; Rajeshkumar, Thayalan; Huang, Zeming; Yuan, Qingbing; Wei, Yun; Maron, Laurent; Wang, Shaowu","Unique selectivity of rare-earth metal ambiphilic carbenes towards organic molecules and novel reactivity patterns with isonitriles","Chemical Science","2025","16","26","11870","11887","10.1039/D5SC01502B","","x-ray","0.71073","MoKα","","0.1577","0.1099","","","0.2136","0.2349","","","","","","1.222","","","","has coordinates,has disorder","300568","2025-07-06","14:02:20",""
"1574711","19.576","0.002","12.8163","0.0015","14.6969","0.0016","90","","90","","90","","3687.3","0.7","298","2","298","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C31 H55 B10 Lu N4 O -","- C31 H55 B10 Lu N4 O -","- C124 H220 B40 Lu4 N16 O4 -","4","0.5","","Chai, Fuxiang; Wu, Weikang; Rajeshkumar, Thayalan; Huang, Zeming; Yuan, Qingbing; Wei, Yun; Maron, Laurent; Wang, Shaowu","Unique selectivity of rare-earth metal ambiphilic carbenes towards organic molecules and novel reactivity patterns with isonitriles","Chemical Science","2025","16","26","11870","11887","10.1039/D5SC01502B","","x-ray","0.71073","MoKα","","0.1947","0.1094","","","0.2263","0.2721","","","","","","1.129","","","","has coordinates,has disorder","300568","2025-07-06","14:02:20",""
"1574712","10.9104","0.0015","12.7977","0.0018","14.5426","0.0019","92.761","0.004","111.614","0.004","95.34","0.004","1872.1","0.4","298","","298","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H59 Er N4 O Si2 -","- C30 H59 Er N4 O Si2 -","- C60 H118 Er2 N8 O2 Si4 -","2","1","","Chai, Fuxiang; Wu, Weikang; Rajeshkumar, Thayalan; Huang, Zeming; Yuan, Qingbing; Wei, Yun; Maron, Laurent; Wang, Shaowu","Unique selectivity of rare-earth metal ambiphilic carbenes towards organic molecules and novel reactivity patterns with isonitriles","Chemical Science","2025","16","26","11870","11887","10.1039/D5SC01502B","","","0.71073","MoKα","","0.0768","0.052","","","0.1213","0.1377","","","","","","1.06","","","","has coordinates,has disorder","300568","2025-07-06","14:02:20",""
"1574713","10.9337","0.0003","12.8057","0.0005","14.5859","0.0006","92.758","0.002","111.668","0.001","95.442","0.001","1881.72","0.12","298","","298","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H59 N4 O Si2 Y -","- C30 H59 N4 O Si2 Y -","- C60 H118 N8 O2 Si4 Y2 -","2","1","","Chai, Fuxiang; Wu, Weikang; Rajeshkumar, Thayalan; Huang, Zeming; Yuan, Qingbing; Wei, Yun; Maron, Laurent; Wang, Shaowu","Unique selectivity of rare-earth metal ambiphilic carbenes towards organic molecules and novel reactivity patterns with isonitriles","Chemical Science","2025","16","26","11870","11887","10.1039/D5SC01502B","","","0.71073","MoKα","","0.0992","0.0482","","","0.1003","0.1216","","","","","","1.014","","","","has coordinates,has disorder","300568","2025-07-06","14:02:20",""
"1574714","10.9353","0.0007","12.829","0.0008","14.6085","0.0011","92.672","0.003","111.785","0.002","95.539","0.002","1886.6","0.2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H59 Dy N4 O Si2 -","- C30 H59 Dy N4 O Si2 -","- C60 H118 Dy2 N8 O2 Si4 -","2","1","","Chai, Fuxiang; Wu, Weikang; Rajeshkumar, Thayalan; Huang, Zeming; Yuan, Qingbing; Wei, Yun; Maron, Laurent; Wang, Shaowu","Unique selectivity of rare-earth metal ambiphilic carbenes towards organic molecules and novel reactivity patterns with isonitriles","Chemical Science","2025","16","26","11870","11887","10.1039/D5SC01502B","","","0.71073","MoKα","","0.0658","0.043","","","0.1004","0.1128","","","","","","1.029","","","","has coordinates,has disorder","300568","2025-07-06","14:02:20",""
"1574715","19.6514","0.0006","12.8413","0.0005","14.7801","0.0005","90","","90","","90","","3729.8","0.2","292","","292","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C31 H55 B10 N4 O Y -","- C31 H55 B10 N4 O Y -","- C124 H220 B40 N16 O4 Y4 -","4","0.5","","Chai, Fuxiang; Wu, Weikang; Rajeshkumar, Thayalan; Huang, Zeming; Yuan, Qingbing; Wei, Yun; Maron, Laurent; Wang, Shaowu","Unique selectivity of rare-earth metal ambiphilic carbenes towards organic molecules and novel reactivity patterns with isonitriles","Chemical Science","2025","16","26","11870","11887","10.1039/D5SC01502B","","","0.71073","MoKα","","0.1678","0.1205","","","0.2719","0.2986","","","","","","1.129","","","","has coordinates,has disorder","300568","2025-07-06","14:02:20",""
"1574716","19.6191","0.001","12.8389","0.0007","14.7285","0.0008","90","","90","","90","","3709.9","0.3","298","","298","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C31 H55 B10 N4 O Yb -","- C31 H55 B10 N4 O Yb -","- C124 H220 B40 N16 O4 Yb4 -","4","0.5","","Chai, Fuxiang; Wu, Weikang; Rajeshkumar, Thayalan; Huang, Zeming; Yuan, Qingbing; Wei, Yun; Maron, Laurent; Wang, Shaowu","Unique selectivity of rare-earth metal ambiphilic carbenes towards organic molecules and novel reactivity patterns with isonitriles","Chemical Science","2025","16","26","11870","11887","10.1039/D5SC01502B","","","0.71073","MoKα","","0.1659","0.1309","","","0.2729","0.2931","","","","","","1.216","","","","has coordinates,has disorder","300568","2025-07-06","14:02:20",""
"1574717","19.5","0.004","12.603","0.003","14.677","0.003","90","","90","","90","","3607","1.4","298","2","298","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C31 H55 B10 Er N4 O -","- C31 H55 B10 Er N4 O -","- C124 H220 B40 Er4 N16 O4 -","4","0.5","","Chai, Fuxiang; Wu, Weikang; Rajeshkumar, Thayalan; Huang, Zeming; Yuan, Qingbing; Wei, Yun; Maron, Laurent; Wang, Shaowu","Unique selectivity of rare-earth metal ambiphilic carbenes towards organic molecules and novel reactivity patterns with isonitriles","Chemical Science","2025","16","26","11870","11887","10.1039/D5SC01502B","","x-ray","0.71073","MoKα","","0.1584","0.1478","","","0.2755","0.2815","","","","","","1.345","","","","has coordinates,has disorder","300568","2025-07-06","14:02:20",""
"1574719","10.8872","0.0003","8.5462","0.0003","32.7304","0.001","90","","90","","90","","3045.37","0.16","150","","150","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H18 O3 -","- C19 H18 O3 -","- C152 H144 O24 -","8","1","","Tang, Si-Yuan; Wang, Zhan-Jie; Wu, Jin-Jiao; Xing, Zhi-Xi; Du, Ze-Yi; Huang, Huan-Ming","Photocatalytic synthesis of 2-oxabicyclo[2.1.1]hexanes: cobalt-enhanced efficiency","Chemical Science","2025","16","26","11908","11917","10.1039/D5SC02836A","","","1.34138","GaKα","","0.0615","0.0538","","","0.1185","0.1224","","","","","","1.112","","","","has coordinates","300572","2025-07-06","14:03:42",""
"1574720","8.2052","0.0001","10.8597","0.0002","16.6641","0.0003","81.45","0.001","76.195","0.002","82.52","0.001","1419","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H35 B I2 N2 -","- C29 H35 B I2 N2 -","- C58 H70 B2 I4 N4 -","2","1","","Mihm, Cornelius; Kar, Sourav; Sachs, Andreas; Duwe, Dario; Dewhurst, Rian D.; Braunschweig, Holger","Synthesis of symmetrical and unsymmetrical cyclic diborenes via NHC-directed C–H borylation","Chemical Science","2025","16","25","11637","11643","10.1039/D5SC03150H","","x-ray","1.54184","CuKα","K-L~2,3~","0.0247","0.0233","","","0.06","0.0607","","","","","","1.054","","","","has coordinates,has disorder","300620","2025-07-06","14:26:37",""
"1574721","7.8531","0.0001","15.449","0.0001","37.9294","0.0003","90","","91.692","0.001","90","","4599.68","0.08","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C51 H62 B2 Br2 N4 -","- C51 H62 B2 Br2 N4 -","- C204 H248 B8 Br8 N16 -","4","1","","Mihm, Cornelius; Kar, Sourav; Sachs, Andreas; Duwe, Dario; Dewhurst, Rian D.; Braunschweig, Holger","Synthesis of symmetrical and unsymmetrical cyclic diborenes via NHC-directed C–H borylation","Chemical Science","2025","16","25","11637","11643","10.1039/D5SC03150H","","x-ray","1.54184","CuKα","K-L~2,3~","0.0436","0.0388","","","0.0992","0.1011","","","","","","1.139","","","","has coordinates","300620","2025-07-06","14:26:38",""
"1574722","13.9101","0.0002","15.7838","0.0002","17.893","0.0003","90","","104.378","0.002","90","","3805.44","0.1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C44 H54 B2 N4 -","- C44 H54 B2 N4 -","- C176 H216 B8 N16 -","4","1","","Mihm, Cornelius; Kar, Sourav; Sachs, Andreas; Duwe, Dario; Dewhurst, Rian D.; Braunschweig, Holger","Synthesis of symmetrical and unsymmetrical cyclic diborenes via NHC-directed C–H borylation","Chemical Science","2025","16","25","11637","11643","10.1039/D5SC03150H","","x-ray","1.54184","CuKα","K-L~2,3~","0.0775","0.0618","","","0.1687","0.1802","","","","","","1.048","","","","has coordinates","300620","2025-07-06","14:26:38",""
"1574723","14.1122","0.0002","14.2169","0.0002","16.813","0.0002","97.552","0.001","101.359","0.001","101.845","0.001","3184.39","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H43 B N4 -","- C31 H43 B N4 -","- C124 H172 B4 N16 -","4","2","","Mihm, Cornelius; Kar, Sourav; Sachs, Andreas; Duwe, Dario; Dewhurst, Rian D.; Braunschweig, Holger","Synthesis of symmetrical and unsymmetrical cyclic diborenes via NHC-directed C–H borylation","Chemical Science","2025","16","25","11637","11643","10.1039/D5SC03150H","","x-ray","1.54184","CuKα","K-L~2,3~","0.068","0.053","","","0.1428","0.1602","","","","","","1.121","","","","has coordinates","300620","2025-07-06","14:26:39",""
"1574724","18.9063","0.0001","18.9063","0.0001","23.2427","0.0003","90","","90","","90","","8308.06","0.12","100","2","100","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C44 H56 B2 N4 -","- C44 H56 B2 N4 -","- C352 H448 B16 N32 -","8","1","","Mihm, Cornelius; Kar, Sourav; Sachs, Andreas; Duwe, Dario; Dewhurst, Rian D.; Braunschweig, Holger","Synthesis of symmetrical and unsymmetrical cyclic diborenes via NHC-directed C–H borylation","Chemical Science","2025","16","25","11637","11643","10.1039/D5SC03150H","","x-ray","1.54184","CuKα","K-L~2,3~","0.0482","0.0434","","","0.116","0.1197","","","","","","1.047","","","","has coordinates","300620","2025-07-06","14:26:39",""
"1574725","15.6024","0.0003","21.2733","0.0002","21.6009","0.0003","90","","93.274","0.002","90","","7157.95","0.18","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C66 H82 B3 I N6 -","- C66 H82 B3 I N6 -","- C264 H328 B12 I4 N24 -","4","1","","Mihm, Cornelius; Kar, Sourav; Sachs, Andreas; Duwe, Dario; Dewhurst, Rian D.; Braunschweig, Holger","Synthesis of symmetrical and unsymmetrical cyclic diborenes via NHC-directed C–H borylation","Chemical Science","2025","16","25","11637","11643","10.1039/D5SC03150H","","x-ray","1.54184","CuKα","K-L~2,3~","0.0907","0.0707","","","0.1936","0.2109","","","","","","1.037","","","","has coordinates,has disorder","300620","2025-07-06","14:26:39",""
"1574726","5.2172","0.0002","8.9168","0.0003","13.0925","0.0004","79.389","0.003","78.628","0.003","76.805","0.003","575.14","0.04","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","tert-butyl benzo[d]isoxazol-5-ylcarbamate","","- C12 H14 N2 O3 -","- C12 H14 N2 O3 -","- C24 H28 N4 O6 -","2","1","","Paschke, Ann-Sophie K.; Schiele, Stefanie; Pinard, Camille; Sandrini, Filippo; Morandi, Bill","Chemodivergent C-to-N atom swap from benzofurans to benzisoxazoles and benzoxazoles","Chemical Science","2025","16","25","11464","11467","10.1039/D5SC02032H","","x-ray","1.54184","CuKα","","0.0577","0.0488","","","0.1333","0.1389","","","","","","1.038","","","","has coordinates","300625","2025-07-06","14:27:35",""
"1574727","5.2939","0.0002","10.5894","0.0003","11.1328","0.0003","102.318","0.002","100.925","0.002","94.671","0.002","593.83","0.03","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","tert-butyl benzofuran-5-ylcarbamate","","- C13 H15 N O3 -","- C13 H15 N O3 -","- C26 H30 N2 O6 -","2","1","","Paschke, Ann-Sophie K.; Schiele, Stefanie; Pinard, Camille; Sandrini, Filippo; Morandi, Bill","Chemodivergent C-to-N atom swap from benzofurans to benzisoxazoles and benzoxazoles","Chemical Science","2025","16","25","11464","11467","10.1039/D5SC02032H","","x-ray","1.54184","CuKα","","0.0515","0.0425","","","0.1145","0.1197","","","","","","1.029","","","","has coordinates","300625","2025-07-06","14:27:35",""
"1574728","10.4696","0.0003","11.1571","0.0003","7.1041","0.0002","90","","108.043","0.003","90","","789.03","0.04","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","methyl benzo[d]isoxazole-5-carboxylate","","- C9 H7 N O3 -","- C9 H7 N O3 -","- C36 H28 N4 O12 -","4","1","","Paschke, Ann-Sophie K.; Schiele, Stefanie; Pinard, Camille; Sandrini, Filippo; Morandi, Bill","Chemodivergent C-to-N atom swap from benzofurans to benzisoxazoles and benzoxazoles","Chemical Science","2025","16","25","11464","11467","10.1039/D5SC02032H","","x-ray","1.54184","CuKα","","0.0414","0.0372","","","0.1013","0.1045","","","","","","1.067","","","","has coordinates","300625","2025-07-06","14:27:35",""
"1574729","15.931","0.0009","15.9306","0.0011","18.5289","0.0013","90","","89.979","0.003","90","","4702.5","0.5","100","","100","","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C45 H36 Cl4 F15 Fe N P2 -","- C45 H36 Cl4 F15 Fe N P2 -","- C180 H144 Cl16 F60 Fe4 N4 P8 -","4","2","","Sievers, Robin; Hartmann, Nick; Riemann, Paulin S.; Streit, Tim-Niclas; Malischewski, Moritz","Stimulus-responsive metallocenes: a photo/thermal switch enabled by the perfluorinated Cp* ligand","Chemical Science","2025","16","26","11949","11953","10.1039/D5SC02784E","","","0.71073","MoKα","","0.0681","0.0563","","","0.1714","0.1967","","","","","","0.842","","","","has coordinates,has disorder","300562","2025-07-06","13:59:01",""
"1574730","7.3204","0.0003","15.6095","0.0007","14.6724","0.0007","90","","90.01","0.02","90","","1676.58","0.13","100.15","","100.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H5 F15 Ru -","- C15 H5 F15 Ru -","- C60 H20 F60 Ru4 -","4","1","","Sievers, Robin; Hartmann, Nick; Riemann, Paulin S.; Streit, Tim-Niclas; Malischewski, Moritz","Stimulus-responsive metallocenes: a photo/thermal switch enabled by the perfluorinated Cp* ligand","Chemical Science","2025","16","26","11949","11953","10.1039/D5SC02784E","","x-ray","0.71073","MoKα","","0.0993","0.0785","","","0.1969","0.2176","","","","","","1.091","","","","has coordinates,has disorder","300562","2025-07-06","13:59:03",""
"1574731","11.6437","0.001","11.1515","0.0009","12.204","0.0011","90","","116.484","0.003","90","","1418.3","0.2","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H16 Cl2 F15 N3 Ru -","- C22 H16 Cl2 F15 N3 Ru -","- C44 H32 Cl4 F30 N6 Ru2 -","2","1","","Sievers, Robin; Hartmann, Nick; Riemann, Paulin S.; Streit, Tim-Niclas; Malischewski, Moritz","Stimulus-responsive metallocenes: a photo/thermal switch enabled by the perfluorinated Cp* ligand","Chemical Science","2025","16","26","11949","11953","10.1039/D5SC02784E","","","0.71073","MoKα","","0.05","0.0415","","","0.0948","0.1046","","","","","","1.089","","","","has coordinates,has disorder","300562","2025-07-06","13:59:04",""
"1574732","23.294","0.008","16.771","0.006","8.709","0.003","90","","90","","90","","3402","2","273","2","273","2","","","","","","","","3","C m c 21","C 2c -2","36","","","","- C40 H22 N4 -","- C40 H22 N4 -","- C160 H88 N16 -","4","0.5","","Dutta, Madhusudan; Chatterjee, Abhijit; Deka, Nilotpal; Tanwar, Riteeka; Mishra, Vishnu; Saha, Arindam; Mandal, Pankaj; Boomishankar, Ramamoorthy; Hazra, Partha","Steric hindrance modulated efficient thermally activated delayed fluorescence with non-linear optical, ferroelectric and piezoelectric properties","Chemical Science","2025","16","26","11989","11998","10.1039/D5SC02107C","","","0.71073","MoKα","","0.1729","0.0653","","","0.1748","0.2485","","","","","","0.837","","","","has coordinates","300570","2025-07-06","14:03:13",""
"1574733","16.3865","0.0011","10.2297","0.0006","35.16","0.002","90","","103.138","0.002","90","","5739.6","0.6","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C56 H54 N4 -","- C56 H54 N4 -","- C224 H216 N16 -","4","1","","Dutta, Madhusudan; Chatterjee, Abhijit; Deka, Nilotpal; Tanwar, Riteeka; Mishra, Vishnu; Saha, Arindam; Mandal, Pankaj; Boomishankar, Ramamoorthy; Hazra, Partha","Steric hindrance modulated efficient thermally activated delayed fluorescence with non-linear optical, ferroelectric and piezoelectric properties","Chemical Science","2025","16","26","11989","11998","10.1039/D5SC02107C","","","0.71073","MoKα","","0.1583","0.0856","","","0.1963","0.2287","","","","","","1.023","","","","has coordinates","300570","2025-07-06","14:03:14",""
"1574734","16.2336","0.0013","17.0377","0.0012","17.1281","0.0014","66.243","0.002","67.979","0.002","89.261","0.002","3966","0.5","150","","150","","","","","","","","","3","P -1","-P 1","2","","","","- C88 H50 N8 -","- C88 H50 N8 -","- C176 H100 N16 -","2","1","","Dutta, Madhusudan; Chatterjee, Abhijit; Deka, Nilotpal; Tanwar, Riteeka; Mishra, Vishnu; Saha, Arindam; Mandal, Pankaj; Boomishankar, Ramamoorthy; Hazra, Partha","Steric hindrance modulated efficient thermally activated delayed fluorescence with non-linear optical, ferroelectric and piezoelectric properties","Chemical Science","2025","16","26","11989","11998","10.1039/D5SC02107C","","","0.71073","MoKα","","0.1013","0.0738","","","0.2182","0.2445","","","","","","1.0879","","","","has coordinates,has disorder","300570","2025-07-06","14:03:14",""
"1574735","22.1999","0.0003","10.492","0.0001","21.9787","0.0003","90","","98.613","0.001","90","","5061.58","0.11","100","0.1","100","0.1","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C33 H31 N4 -","- C33 H31 N4 -","- C264 H248 N32 -","8","1","","Bartos, Paulina; Szamweber, Patrycja; Camargo, Bruno; Pietrzak, Anna; Kaszyński, Piotr","Photochemical synthesis of carbazole-fused Blatter radicals: effective spin injection to the carbazole system","Chemical Science","2025","16","26","12139","12147","10.1039/D5SC01182E","","","1.54184","CuKα","","0.0461","0.0384","","","0.0966","0.1011","","","","","","1.055","","","","has coordinates,has disorder","300573","2025-07-06","14:03:54",""
"1574736","7.4588","0.0004","23.524","0.0012","19.4019","0.001","90","","92.652","0.004","90","","3400.6","0.3","99.9","0.7","99.9","0.7","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H14 N4 O -","- C25 H14 N4 O -","- C200 H112 N32 O8 -","8","2","","Bartos, Paulina; Szamweber, Patrycja; Camargo, Bruno; Pietrzak, Anna; Kaszyński, Piotr","Photochemical synthesis of carbazole-fused Blatter radicals: effective spin injection to the carbazole system","Chemical Science","2025","16","26","12139","12147","10.1039/D5SC01182E","","","1.54184","CuKα","","0.0948","0.0616","","","0.1539","0.1752","","","","","","1.013","","","","has coordinates","300573","2025-07-06","14:03:55",""
"1574737","12.6865","0.0004","13.1676","0.0005","16.5859","0.0006","82.572","0.003","88.483","0.003","63.757","0.003","2462.78","0.16","100","0.2","100","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C106 H171 Ca2 N7 O -","- C106 H171 Ca2 N7 O -","- C106 H171 Ca2 N7 O -","1","0.5","","Thum, Stefan; Mai, Jonathan; Schmidt, Marcel A.; Langer, Jens; Harder, Sjoerd","Reductive cyclotrimerization of CO and isonitriles with a highly reactive CaI synthon","Chemical Science","2025","16","26","12058","12067","10.1039/D5SC02829A","","x-ray","1.54184","CuKα","","0.0553","0.0494","","","0.1363","0.1425","","","","","","1.022","","","","has coordinates,has disorder","300575","2025-07-06","14:04:49",""
"1574738","13.598","0.0004","14.8279","0.0005","21.9613","0.0007","75.108","0.003","77.232","0.003","64.237","0.003","3823.4","0.2","100","0.5","100","0.5","","","","","","","","4","P -1","-P 1","2","","","","- C82 H130 Ca N5 -","- C79 H123 Ca N5 -","- C158 H246 Ca2 N10 -","2","1","","Thum, Stefan; Mai, Jonathan; Schmidt, Marcel A.; Langer, Jens; Harder, Sjoerd","Reductive cyclotrimerization of CO and isonitriles with a highly reactive CaI synthon","Chemical Science","2025","16","26","12058","12067","10.1039/D5SC02829A","","x-ray","1.54184","CuKα","","0.0509","0.0406","","","0.0955","0.1024","","","","","","1.022","","","","has coordinates,has disorder","300575","2025-07-06","14:04:50",""
"1574739","13.482","0.0003","16.3223","0.0005","20.27","0.0005","68.531","0.002","87.284","0.002","76.379","0.002","4030.6","0.19","100","0.4","100","0.4","","","","","","","","4","P -1","-P 1","2","","","","- C87 H139 Ca N5 -","- C81 H125 Ca N5 -","- C162 H250 Ca2 N10 -","2","1","","Thum, Stefan; Mai, Jonathan; Schmidt, Marcel A.; Langer, Jens; Harder, Sjoerd","Reductive cyclotrimerization of CO and isonitriles with a highly reactive CaI synthon","Chemical Science","2025","16","26","12058","12067","10.1039/D5SC02829A","","x-ray","1.54184","CuKα","","0.0628","0.058","","","0.1628","0.1683","","","","","","1.069","","","","has coordinates,has disorder","300575","2025-07-06","14:04:50",""
"1574740","17.1763","0.0003","17.4722","0.0002","26.166","0.0003","90","","108.952","0.002","90","","7426.9","0.2","100","0.6","100","0.6","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C83 H123 Ca N5 -","- C83 H123 Ca N5 -","- C332 H492 Ca4 N20 -","4","1","","Thum, Stefan; Mai, Jonathan; Schmidt, Marcel A.; Langer, Jens; Harder, Sjoerd","Reductive cyclotrimerization of CO and isonitriles with a highly reactive CaI synthon","Chemical Science","2025","16","26","12058","12067","10.1039/D5SC02829A","","x-ray","1.54184","CuKα","","0.0515","0.0427","","","0.1048","0.1119","","","","","","1.025","","","","has coordinates,has disorder","300575","2025-07-06","14:04:50",""
"1574741","18.2798","0.0002","18.3492","0.0002","27.9435","0.0003","77.99","0.001","77.694","0.001","75.337","0.001","8740.62","0.17","100","0.2","100","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C184 H294 Ca4 N8 O9 -","- C184.001 H294.001 Ca4 N8 O9 -","- C368.002 H588.003 Ca8 N16 O18 -","2","1","","Thum, Stefan; Mai, Jonathan; Schmidt, Marcel A.; Langer, Jens; Harder, Sjoerd","Reductive cyclotrimerization of CO and isonitriles with a highly reactive CaI synthon","Chemical Science","2025","16","26","12058","12067","10.1039/D5SC02829A","","x-ray","1.54184","CuKα","","0.0741","0.0648","","","0.1776","0.1878","","","","","","1.017","","","","has coordinates,has disorder","300575","2025-07-06","14:04:50",""
"1574745","26.4619","0.0003","6.3388","0.0001","26.1419","0.0003","90","","101.877","0.001","90","","4291.08","0.1","300.69","0.1","300.69","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H34 N2 O4 -","- C20 H34 N2 O4 -","- C160 H272 N16 O32 -","8","1","","Zhang, Fangqing; Xu, Chun; Zhang, Zichun; Yang, Zhuang; Peng, Tao; Shao, Wen; Feng, Xiaoming; Liu, Yangbin","Synthesis of polysubstituted cyclobutanes through a photoredox strain-release/[3,3]-rearrangement cascade","Chemical Science","2025","16","25","11508","11518","10.1039/D5SC01431J","","x-ray","1.54184","CuKα","","0.0784","0.0725","","","0.2273","0.2345","","","","","","1.078","","","","has coordinates","300617","2025-07-06","14:22:57",""
"1574746","9.7265","0.0002","14.7461","0.0002","12.5014","0.0002","90","","108.624","0.002","90","","1699.16","0.05","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H24 N2 O2 -","- C19 H24 N2 O2 -","- C76 H96 N8 O8 -","4","1","","Zhang, Fangqing; Xu, Chun; Zhang, Zichun; Yang, Zhuang; Peng, Tao; Shao, Wen; Feng, Xiaoming; Liu, Yangbin","Synthesis of polysubstituted cyclobutanes through a photoredox strain-release/[3,3]-rearrangement cascade","Chemical Science","2025","16","25","11508","11518","10.1039/D5SC01431J","","x-ray","1.54184","CuKα","","0.0408","0.0376","","","0.0956","0.0979","","","","","","1.037","","","","has coordinates,has disorder","300617","2025-07-06","14:22:57",""
"1574747","33.347","0.0004","33.347","0.0004","33.347","0.0004","90","","90","","90","","37082.6","0.8","100","","100","","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C320 H480 Au Cu56 O36 S44 -","- C320 H480 Au Cu55.9996 O36 S44 -","- C1280 H1920 Au4 Cu223.998 O144 S176 -","4","0.166667","","Gratious, Saniya; Li, Bo; Mondal, Dipanjana; Kumar, Alok; Varghese, Dayona Aleyamma; Thomas, Jibin; Jiang, De-en; Kamble, Vinayak; Mandal, Sukhendu","Identifying the superatomic AuCu56 nanocluster through a ligand-exchange coupled metal-exchange induced transformation","Chemical Science","2025","16","26","11849","11857","10.1039/D5SC02515J","","","0.71073","MoKα","","0.1212","0.0825","","","0.1909","0.2206","","","","","","1.055","","","","has coordinates,has disorder","300574","2025-07-06","14:04:24",""
"1574748","20.8735","0.0002","21.7898","0.0002","23.7135","0.0003","63.3967","0.0011","73.8571","0.0011","62.094","0.0012","8490.27","0.19","100","","100","","","","","","","","","6","P -1","-P 1","2","","[Ce24O28(OH)8(OOCC6H4(4-F))30(py)4]2(py)12","","- C340 H254 Ce24 F30 N26 O96 -","- C340 H254 Ce24 F30 N26 O96 -","- C340 H254 Ce24 F30 N26 O96 -","1","0.5","","Brown, Stephen E.; Pike, Sebastian D.","Photoabsorption of 1–2 nm molecular Ce-oxo nanoclusters versus ceria: intervalence charge transfer but no size effects","Chemical Science","2025","16","25","11659","11668","10.1039/D5SC00905G","","","0.71073","MoKα","","0.0537","0.0388","","0.1209","0.1009","0.1209","","","","","","1.0426","","","","has coordinates,has disorder","300619","2025-07-06","14:26:04",""
"1574749","26.0526","0.0005","42.5286","0.0007","35.9018","0.0006","90","","90","","90","","39778.5","1.2","200","","200","","","","","","","","","5","P b c n","-P 2n 2ab","60","","[Ce24O28(OH)8(OOCC10H7)30(py)4]","","- C400 H284 Ce24 N14 O96 -","- C400 H284 Ce24 N14 O96 -","- C1600 H1136 Ce96 N56 O384 -","4","0.5","","Brown, Stephen E.; Pike, Sebastian D.","Photoabsorption of 1–2 nm molecular Ce-oxo nanoclusters versus ceria: intervalence charge transfer but no size effects","Chemical Science","2025","16","25","11659","11668","10.1039/D5SC00905G","","","0.71073","MoKα","","0.1581","0.0777","","0.2566","0.1886","0.2566","","","","","","0.992","","","","has coordinates","300619","2025-07-06","14:26:04",""
"1574750","14.1138","0.0001","14.1138","0.0001","93.9953","0.0006","90","","90","","120","","16215.3","0.19","100","","100","","","","","","","","","5","P 65","P 65","170","","[Ce(OOCCH2tBu)3(py)]","","- C92 H152 Ce4 N4 O24 -","- C92 H152 Ce4 N4 O24 -","- C552 H912 Ce24 N24 O144 -","6","1","","Brown, Stephen E.; Pike, Sebastian D.","Photoabsorption of 1–2 nm molecular Ce-oxo nanoclusters versus ceria: intervalence charge transfer but no size effects","Chemical Science","2025","16","25","11659","11668","10.1039/D5SC00905G","","","0.71073","MoKα","","0.1021","0.0978","","0.2642","0.2617","0.2642","","","","","","1.0644","","","","has coordinates","300619","2025-07-06","14:26:04",""
"1574751","20.7633","0.000014","21.881899","0.000014","38.498501","0.000017","84.238","0.0018","82.416","0.0018","84.442","0.0018","17188.7","0.1","100","","100","","","","","","","","","6","P -1","-P 1","2","","[Ce24O28(OH)8(OOCC6H4(4-F))30(py)4]2(py)12","","- C260 H170 Ce24 F30 N10 O96 -","- C260 H170 Ce24 F30 N10 O96 -","- C520 H340 Ce48 F60 N20 O192 -","2","1","","Brown, Stephen E.; Pike, Sebastian D.","Photoabsorption of 1–2 nm molecular Ce-oxo nanoclusters versus ceria: intervalence charge transfer but no size effects","Chemical Science","2025","16","25","11659","11668","10.1039/D5SC00905G","","","1.5418","CuKα","","0.1082","0.09","","0.3085","0.2833","0.3085","","","","","","1.0072","","","","has coordinates","300619","2025-07-06","14:26:04",""
"1574752","21.8344","0.000017","26.493099","0.000017","25.106501","0.000014","90","","90.701","0.0018","90","","14522","0.018","100","","100","","","","","","","","MASB 4.14 UoW","5","P 1 21/n 1","-P 2yn","14","","[Ce24O28(OH)8(OOCPh)30(Py)4](Py)14","","- C300 H230 Ce24 N18 O96 -","- C280 H224 Ce24 N14 O96 -","- C560 H448 Ce48 N28 O192 -","2","0.5","","Brown, Stephen E.; Pike, Sebastian D.","Photoabsorption of 1–2 nm molecular Ce-oxo nanoclusters versus ceria: intervalence charge transfer but no size effects","Chemical Science","2025","16","25","11659","11668","10.1039/D5SC00905G","","","0.71073","MoKα","","0.0794","0.0541","","0.1689","0.1479","0.1684","","","","","","0.9989","","","","has coordinates,has disorder","300619","2025-07-06","14:26:04",""
"1574753","36.1757","0.0006","25.1668","0.0004","42.5226","0.0008","90","","110.7","0.002","90","","36214.5","1.2","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[Ce24O28(OH)8(OOCC6H4(4-OMe))30(py)4](py)11","","- C315 H287 Ce24 N15 O126 -","- C315 H287 Ce24 N15 O126 -","- C1260 H1148 Ce96 N60 O504 -","4","1","","Brown, Stephen E.; Pike, Sebastian D.","Photoabsorption of 1–2 nm molecular Ce-oxo nanoclusters versus ceria: intervalence charge transfer but no size effects","Chemical Science","2025","16","25","11659","11668","10.1039/D5SC00905G","","","0.71073","MoKα","","0.1467","0.1024","","0.4361","0.3745","0.4361","","","","","","1.7423","","","","has coordinates","300619","2025-07-06","14:26:04",""
"1574754","23.5031","0.0002","24.4019","0.0002","32.8406","0.0003","90.467","0.0007","95.3987","0.0008","91.1491","0.0007","18746.5","0.3","100","","100","","","","","","","","","5","P -1","-P 1","2","","[Ce24O28(OH)8(OOCPhMe)30(Py)4]2(Py)53","","- C365 H335 Ce24 N25 O96 -","- C365 H335 Ce24 N25 O96 -","- C730 H670 Ce48 N50 O192 -","2","1","","Brown, Stephen E.; Pike, Sebastian D.","Photoabsorption of 1–2 nm molecular Ce-oxo nanoclusters versus ceria: intervalence charge transfer but no size effects","Chemical Science","2025","16","25","11659","11668","10.1039/D5SC00905G","","","0.71073","MoKα","","0.0821","0.0491","","0.1331","0.1174","0.1331","","","","","","0.9635","","","","has coordinates","300619","2025-07-06","14:26:04",""
"1574755","43.6537","0.0003","27.5054","0.0002","40.9209","0.0003","90","","103.985","0.0008","90","","47677.8","0.6","100","","100","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","[Ce24O28(OH)8(OOCPhtBu)30(Py)4](py)10","","- C400 H464 Ce24 N14 O96 -","- C400 H464 Ce24 N14 O96 -","- C1600 H1856 Ce96 N56 O384 -","4","1","","Brown, Stephen E.; Pike, Sebastian D.","Photoabsorption of 1–2 nm molecular Ce-oxo nanoclusters versus ceria: intervalence charge transfer but no size effects","Chemical Science","2025","16","25","11659","11668","10.1039/D5SC00905G","","","0.71073","MoKα","","0.114","0.114","","0.3748","0.3748","0.3748","","","","","","1.87","","","","has coordinates","300619","2025-07-06","14:26:04",""
"1574756","20.6719","0.0004","6.0409","0.0001","8.4029","0.0002","90","","97.775","0.001","90","","1039.68","0.04","213","","213","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C7 H6 I Na O4 S -","- C7 H6 I Na O4 S -","- C28 H24 I4 Na4 O16 S4 -","4","1","","Xia, Zhen; Deng, Ting; Song, Chunlan; Li, Jiakun","Decarboxylative sulfation by persulfates","Chemical Science","2025","16","25","11568","11573","10.1039/D5SC03129J","","","1.34139","GaKα","","0.0893","0.0866","","","0.246","0.252","","","","","","1.161","","","","has coordinates","300624","2025-07-06","14:27:26",""
"1574757","9.9445","0.0006","11.2448","0.0005","13.1854","0.0008","94.789","0.002","109.861","0.002","99.596","0.002","1351.64","0.13","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H72 Cl6 N6 O27 Pr2 -","- C26 H54 Cl6 N6 O27 Pr2 -","- C26 H54 Cl6 N6 O27 Pr2 -","1","0.5","","Faltejsek, Jan; Urbanovský, Peter; Kubíček, Vojtěch; Havlíčková, Jana; Císařová, Ivana; Kotek, Jan; Hermann, Petr","Extraordinary kinetic inertness of lanthanide(iii) complexes of pyridine-rigidified 18-membered hexaazamacrocycles with four acetate pendant arms.","Chemical science","2025","16","27","12558","12567","10.1039/d5sc01893e","","","0.71073","MoKα","","0.0659","0.048","","","0.1193","0.13","","","","","","1.039","","","","has coordinates,has disorder","301547","2025-08-05","21:18:43",""
"1574758","11.1441","0.0015","37.436","0.005","14.4231","0.0019","90","","90.594","0.004","90","","6016.9","1.4","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H37 Eu N6 O11 -","- C26 H37 Eu N6 O11 -","- C208 H296 Eu8 N48 O88 -","8","2","","Faltejsek, Jan; Urbanovský, Peter; Kubíček, Vojtěch; Havlíčková, Jana; Císařová, Ivana; Kotek, Jan; Hermann, Petr","Extraordinary kinetic inertness of lanthanide(iii) complexes of pyridine-rigidified 18-membered hexaazamacrocycles with four acetate pendant arms.","Chemical science","2025","16","27","12558","12567","10.1039/d5sc01893e","","","0.71073","MoKα","","0.0707","0.0631","","","0.1647","0.1726","","","","","","1.084","","","","has coordinates,has disorder","301547","2025-08-05","21:18:44",""
"1574759","22.176","0.0008","12.8958","0.0005","12.8625","0.0005","90","","109.236","0.001","90","","3473","0.2","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H44 Cl4 N6 O11 -","- C26 H38 Cl4 N6 O8 -","- C104 H152 Cl16 N24 O32 -","4","0.5","","Faltejsek, Jan; Urbanovský, Peter; Kubíček, Vojtěch; Havlíčková, Jana; Císařová, Ivana; Kotek, Jan; Hermann, Petr","Extraordinary kinetic inertness of lanthanide(iii) complexes of pyridine-rigidified 18-membered hexaazamacrocycles with four acetate pendant arms.","Chemical science","2025","16","27","12558","12567","10.1039/d5sc01893e","","","1.54178","CuKα","","0.0479","0.0457","","","0.1439","0.1463","","","","","","1.057","","","","has coordinates","301547","2025-08-05","21:18:44",""
"1574760","21.9337","0.0005","5.4237","0.0001","9.0915","0.0002","90","","90","","90","","1081.54","0.04","120","2","120","2","","","","","","","","4","P b a m","-P 2 2ab","55","","","","- C18 H34 N6 O4 -","- C18 H34 N6 O4 -","- C36 H68 N12 O8 -","2","0.25","","Faltejsek, Jan; Urbanovský, Peter; Kubíček, Vojtěch; Havlíčková, Jana; Císařová, Ivana; Kotek, Jan; Hermann, Petr","Extraordinary kinetic inertness of lanthanide(iii) complexes of pyridine-rigidified 18-membered hexaazamacrocycles with four acetate pendant arms.","Chemical science","2025","16","27","12558","12567","10.1039/d5sc01893e","","","0.71073","MoKα","","0.0356","0.0341","","","0.0903","0.0938","","","","","","1.098","","","","has coordinates","301547","2025-08-05","21:18:44",""
"1574761","16.5314","0.0006","19.3002","0.0007","9.6305","0.0004","90","","93.348","0.001","90","","3067.5","0.2","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H39 Cl2 N6 O11 Pr -","- C26 H39 Cl2 N6 O11 Pr -","- C104 H156 Cl8 N24 O44 Pr4 -","4","0.5","","Faltejsek, Jan; Urbanovský, Peter; Kubíček, Vojtěch; Havlíčková, Jana; Císařová, Ivana; Kotek, Jan; Hermann, Petr","Extraordinary kinetic inertness of lanthanide(iii) complexes of pyridine-rigidified 18-membered hexaazamacrocycles with four acetate pendant arms.","Chemical science","2025","16","27","12558","12567","10.1039/d5sc01893e","","","0.71073","MoKα","","0.0439","0.0426","","","0.1228","0.1237","","","","","","1.238","","","","has coordinates,has disorder","301547","2025-08-05","21:18:44",""
"1574762","12.6858","0.0005","12.9121","0.0004","20.6862","0.0008","93.56","0.001","96.977","0.002","90.562","0.001","3356.3","0.2","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H50 N6 O16 -","- C26 H34 N6 O8 -","- C104 H136 N24 O32 -","4","2","","Faltejsek, Jan; Urbanovský, Peter; Kubíček, Vojtěch; Havlíčková, Jana; Císařová, Ivana; Kotek, Jan; Hermann, Petr","Extraordinary kinetic inertness of lanthanide(iii) complexes of pyridine-rigidified 18-membered hexaazamacrocycles with four acetate pendant arms.","Chemical science","2025","16","27","12558","12567","10.1039/d5sc01893e","","","0.71073","MoKα","","0.0678","0.0543","","","0.144","0.1523","","","","","","1.029","","","","has coordinates","301547","2025-08-05","21:18:44",""
"1574763","9.8498","0.0008","14.4593","0.001","15.2054","0.0013","71.824","0.003","84.744","0.003","85.628","0.003","2046.3","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H57 Eu N6 Na O21.5 -","- C26 H48 Eu N6 Na O21.5 -","- C52 H96 Eu2 N12 Na2 O43 -","2","1","","Faltejsek, Jan; Urbanovský, Peter; Kubíček, Vojtěch; Havlíčková, Jana; Císařová, Ivana; Kotek, Jan; Hermann, Petr","Extraordinary kinetic inertness of lanthanide(iii) complexes of pyridine-rigidified 18-membered hexaazamacrocycles with four acetate pendant arms.","Chemical science","2025","16","27","12558","12567","10.1039/d5sc01893e","","","0.71073","MoKα","","0.041","0.0397","","","0.1084","0.1103","","","","","","1.046","","","","has coordinates,has disorder","301547","2025-08-05","21:18:44",""
"1574764","19.8316","0.0016","19.2254","0.0014","19.0053","0.0015","90","","95.647","0.003","90","","7211","1","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H42 Cl N6 O13 Pr -","- C26 H32 Cl N6 O9 Pr -","- C208 H256 Cl8 N48 O72 Pr8 -","8","1","","Faltejsek, Jan; Urbanovský, Peter; Kubíček, Vojtěch; Havlíčková, Jana; Císařová, Ivana; Kotek, Jan; Hermann, Petr","Extraordinary kinetic inertness of lanthanide(iii) complexes of pyridine-rigidified 18-membered hexaazamacrocycles with four acetate pendant arms.","Chemical science","2025","16","27","12558","12567","10.1039/d5sc01893e","","","0.71073","MoKα","","0.0607","0.0549","","","0.1318","0.1358","","","","","","1.241","","","","has coordinates,has disorder","301547","2025-08-05","21:18:44",""
"1574771","11.006","0.003","7.772","0.002","18.214","0.004","90","","93.509","0.004","90","","1555.1","0.7","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 Cr2 O20 S4 -","- C20 H26 Cr2 O20 S4 -","- C40 H52 Cr4 O40 S8 -","2","0.5","","Yang, Fan; Kong, Xiang-Jing; He, Tao; Zhang, Zhengqing; Wang, Ke; Du, Honglin; Cai, Guohong; Ju, Jing; Wang, Xiaoge; Li, Jian-Rong; Sun, Junliang; Zhong, Chongli","Solvent-free construction of Cr(iii)-sulfonate coordination polymers","Chemical Science","2025","16","26","11823","11832","10.1039/D5SC03014E","","","0.0251","electron","","0.3998","0.2466","","","0.5482","0.6155","","","","","","1.621","","","","has coordinates","300566","2025-07-06","14:01:11",""
"1574772","9.9289","0.0012","9.5629","0.001","15.88","0.0017","90","","103.656","0.003","90","","1465.2","0.3","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 Cr O11 S3 -","- C9 H10 Cr O11 S3 -","- C36 H40 Cr4 O44 S12 -","4","1","","Yang, Fan; Kong, Xiang-Jing; He, Tao; Zhang, Zhengqing; Wang, Ke; Du, Honglin; Cai, Guohong; Ju, Jing; Wang, Xiaoge; Li, Jian-Rong; Sun, Junliang; Zhong, Chongli","Solvent-free construction of Cr(iii)-sulfonate coordination polymers","Chemical Science","2025","16","26","11823","11832","10.1039/D5SC03014E","","","0.0251","electron","","0.2979","0.2203","","","0.4813","0.5488","","","","","","1.535","","","","has coordinates","300566","2025-07-06","14:01:12",""
"1574773","11.0056","0.0007","23.4923","0.0013","7.6371","0.0004","90","","97.235","0.002","90","","1958.83","0.19","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 Cr O13 S3 -","- C15 H17 Cr O13 S3 -","- C60 H68 Cr4 O52 S12 -","4","1","","Yang, Fan; Kong, Xiang-Jing; He, Tao; Zhang, Zhengqing; Wang, Ke; Du, Honglin; Cai, Guohong; Ju, Jing; Wang, Xiaoge; Li, Jian-Rong; Sun, Junliang; Zhong, Chongli","Solvent-free construction of Cr(iii)-sulfonate coordination polymers","Chemical Science","2025","16","26","11823","11832","10.1039/D5SC03014E","","","0.0251","electron","","0.4603","0.3224","","","0.5995","0.709","","","","","","2.079","","","","has coordinates","300566","2025-07-06","14:01:21",""
"1574774","10.666","0.007","6.555","0.004","11.7","0.008","90","","92.118","0.018","90","","817.5","0.9","180","2","180","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C12 H7 Cr O11 S2 -","- C12 H7 Cr O11 S2 -","- C24 H14 Cr2 O22 S4 -","2","0.5","","Yang, Fan; Kong, Xiang-Jing; He, Tao; Zhang, Zhengqing; Wang, Ke; Du, Honglin; Cai, Guohong; Ju, Jing; Wang, Xiaoge; Li, Jian-Rong; Sun, Junliang; Zhong, Chongli","Solvent-free construction of Cr(iii)-sulfonate coordination polymers","Chemical Science","2025","16","26","11823","11832","10.1039/D5SC03014E","","","0.0251","electron","","0.2761","0.2099","","","0.4918","0.537","","","","","","1.735","","","","has coordinates","300566","2025-07-06","14:01:29",""
"1574776","14.31918","0.00016","51.9317","0.0008","19.4811","0.0002","90","","91.266","0.001","90","","14483","0.3","93","","93","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C189.15 H185.84 Cl24 N29.26 O3.62 Pd12 -","- C189.102 H185.79 Cl24 N29.252 O3.611 Pd12 -","- C378.204 H371.58 Cl48 N58.504 O7.222 Pd24 -","2","1","","Tashiro, Shohei; Nakata, Kosuke; Hayashi, Ryunosuke; Shionoya, Mitsuhiko","Shape sorting of two distinct amino acid residues at the multiple binding sites of a porous metal-macrocycle framework.","Chemical science","2025","16","27","12303","12308","10.1039/d5sc00795j","","","0.71075","MoKα","","0.1037","0.0939","","","0.2748","0.2836","","","","","","1.202","","","","has coordinates,has disorder","301540","2025-08-05","21:16:33",""
"1574777","14.31918","0.00016","51.9317","0.0008","19.4811","0.0002","90","","91.266","0.001","90","","14483","0.3","93","","93","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C190.16 H189.64 Cl24 N29.41 O3.18 Pd12 -","- C190.11 H189.6 Cl24 N29.41 O3.18 Pd12 -","- C380.22 H379.2 Cl48 N58.82 O6.36 Pd24 -","2","1","","Tashiro, Shohei; Nakata, Kosuke; Hayashi, Ryunosuke; Shionoya, Mitsuhiko","Shape sorting of two distinct amino acid residues at the multiple binding sites of a porous metal-macrocycle framework.","Chemical science","2025","16","27","12303","12308","10.1039/d5sc00795j","","","0.71075","MoKα","","0.1058","0.0959","","","0.2813","0.2901","","","","","","1.229","","","","has coordinates","301540","2025-08-05","21:16:37",""
"1574778","14.3167","0.0003","52.183","0.001","19.5516","0.0004","90","","91.168","0.001","90","","14603.7","0.5","93","2","93.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C205.13 H211.99 Cl24 N33.58 O8.86 Pd12 -","- C205.136 H211.991 Cl24 N33.583 O8.857 Pd12 -","- C410.272 H423.982 Cl48 N67.166 O17.714 Pd24 -","2","1","","Tashiro, Shohei; Nakata, Kosuke; Hayashi, Ryunosuke; Shionoya, Mitsuhiko","Shape sorting of two distinct amino acid residues at the multiple binding sites of a porous metal-macrocycle framework.","Chemical science","2025","16","27","12303","12308","10.1039/d5sc00795j","","","0.71075","MoKα","","0.1251","0.0791","","","0.2171","0.2522","","","","","","1.031","","","","has coordinates,has disorder","301540","2025-08-05","21:16:37",""
"1574779","14.3191","0.0003","52.5328","0.001","19.6294","0.0004","90","","91.234","0.001","90","","14762.3","0.5","93","2","93.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C200.14 H203.01 Cl24 N31.63 O10.62 Pd12 -","- C200.138 H203.004 Cl24 N31.63 O10.624 Pd12 -","- C400.276 H406.008 Cl48 N63.26 O21.248 Pd24 -","2","1","","Tashiro, Shohei; Nakata, Kosuke; Hayashi, Ryunosuke; Shionoya, Mitsuhiko","Shape sorting of two distinct amino acid residues at the multiple binding sites of a porous metal-macrocycle framework.","Chemical science","2025","16","27","12303","12308","10.1039/d5sc00795j","","","0.71075","MoKα","","0.0964","0.0702","","","0.2014","0.2229","","","","","","1.031","","","","has coordinates,has disorder","301540","2025-08-05","21:16:37",""
"1574780","20.8662","","20.8662","","3.1649","","90","","90","","120","","1193.38","","293","","293","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Zn3(HOTP)2","","- C36 H12 O12 Zn3 -","- C12 H4 O4 Zn -","- C36 H12 O12 Zn3 -","3","0.125","","Zhang, Kimberly J.; Chen, Tianyang; Oppenheim, Julius J.; Yang, Luming; Palatinus, Lukáš; Müller, Peter; Van Voorhis, Troy; Dincă, Mircea","High-resolution structure of Zn<sub>3</sub>(HOTP)<sub>2</sub> (HOTP = hexaoxidotriphenylene), a three-dimensional conductive MOF.","Chemical science","2025","16","27","12416","12420","10.1039/d5sc00894h","","electron","0.0251","electron","","0.2904","0.1992","","","0.2259","0.2392","","","","4.4582","4.4582","3.0896","","","","has coordinates","301543","2025-08-05","21:17:21",""
"1574781","20.8662","","20.8662","","9.4948","","90","","90","","120","","3580.17","","293","","293","","","","","","","","","4","P -6 2 c","P -6c -2c","190","","Zn3(HOTP)2","","- C36 H12 O12 Zn3 -","- C12 H4 O4 Zn -","- C108 H36 O36 Zn9 -","9","0.75","","Zhang, Kimberly J.; Chen, Tianyang; Oppenheim, Julius J.; Yang, Luming; Palatinus, Lukáš; Müller, Peter; Van Voorhis, Troy; Dincă, Mircea","High-resolution structure of Zn<sub>3</sub>(HOTP)<sub>2</sub> (HOTP = hexaoxidotriphenylene), a three-dimensional conductive MOF.","Chemical science","2025","16","27","12416","12420","10.1039/d5sc00894h","","electron","0.0251","electron","","0.2904","0.1992","","","0.2259","0.2392","","","","4.4582","4.4582","3.0896","","","","has coordinates","301543","2025-08-05","21:17:21",""
"1574783","7.2268","0.0004","7.9865","0.0006","9.2053","0.0008","103.537","0.007","92.512","0.006","108.209","0.006","486.72","0.07","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C9 H12 N2 O2 S -","- C9 H12 N2 O2 S -","- C18 H24 N4 O4 S2 -","2","1","","Knez, Damijan; Šterman, Andrej; Sosič, Izidor; Perdih, Franc; Nuñez, Gonzalo D.; Knaflič, Tilen; Arčon, Denis; Besora, Maria; Carbó, Jorge J.; Fernández, Elena; Časar, Zdenko","Access to amidines via C(sp2)–N coupling of trifluoroborate-iminiums with N-fluorobenzenesulfonimide","Chemical Science","2025","16","26","12012","12023","10.1039/D5SC02912K","","x-ray","0.71073","MoKα","","0.0552","0.0409","","","0.0872","0.0979","","","","","","1.072","","","","has coordinates","300565","2025-07-06","14:00:43",""
"1574784","7.626","0.0001","10.8033","0.0002","36.368","0.0007","90","","90","","90","","2996.21","0.09","150","0.1","150","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H16 N2 O4 S -","- C16 H16 N2 O4 S -","- C128 H128 N16 O32 S8 -","8","1","","Knez, Damijan; Šterman, Andrej; Sosič, Izidor; Perdih, Franc; Nuñez, Gonzalo D.; Knaflič, Tilen; Arčon, Denis; Besora, Maria; Carbó, Jorge J.; Fernández, Elena; Časar, Zdenko","Access to amidines via C(sp2)–N coupling of trifluoroborate-iminiums with N-fluorobenzenesulfonimide","Chemical Science","2025","16","26","12012","12023","10.1039/D5SC02912K","","","1.54184","CuKα","","0.0552","0.0476","","","0.1204","0.129","","","","","","1.066","","","","has coordinates","300565","2025-07-06","14:00:45",""
"1574785","8.5033","0.0003","23.1754","0.0007","20.2967","0.0006","90","","92.005","0.003","90","","3997.4","0.2","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 Cl N2 O2 S -","- C13 H11 Cl N2 O2 S -","- C156 H132 Cl12 N24 O24 S12 -","12","3","","Knez, Damijan; Šterman, Andrej; Sosič, Izidor; Perdih, Franc; Nuñez, Gonzalo D.; Knaflič, Tilen; Arčon, Denis; Besora, Maria; Carbó, Jorge J.; Fernández, Elena; Časar, Zdenko","Access to amidines via C(sp2)–N coupling of trifluoroborate-iminiums with N-fluorobenzenesulfonimide","Chemical Science","2025","16","26","12012","12023","10.1039/D5SC02912K","","x-ray","0.71073","MoKα","","0.0469","0.0357","","","0.0841","0.0899","","","","","","1.035","","","","has coordinates","300565","2025-07-06","14:00:53",""
"1574786","8.4203","0.0006","17.4676","0.001","7.2129","0.0005","90","","110.069","0.008","90","","996.47","0.13","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 N2 O2 S -","- C10 H12 N2 O2 S -","- C40 H48 N8 O8 S4 -","4","1","","Knez, Damijan; Šterman, Andrej; Sosič, Izidor; Perdih, Franc; Nuñez, Gonzalo D.; Knaflič, Tilen; Arčon, Denis; Besora, Maria; Carbó, Jorge J.; Fernández, Elena; Časar, Zdenko","Access to amidines via C(sp2)–N coupling of trifluoroborate-iminiums with N-fluorobenzenesulfonimide","Chemical Science","2025","16","26","12012","12023","10.1039/D5SC02912K","","x-ray","0.71073","MoKα","","0.0492","0.0367","","","0.0877","0.0948","","","","","","1.025","","","","has coordinates","300565","2025-07-06","14:00:53",""
"1574787","11.5242","0.0002","9.8469","0.0002","10.7702","0.0002","90","","98.211","0.002","90","","1209.65","0.04","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 N2 O2 S2 -","- C11 H10 N2 O2 S2 -","- C44 H40 N8 O8 S8 -","4","1","","Knez, Damijan; Šterman, Andrej; Sosič, Izidor; Perdih, Franc; Nuñez, Gonzalo D.; Knaflič, Tilen; Arčon, Denis; Besora, Maria; Carbó, Jorge J.; Fernández, Elena; Časar, Zdenko","Access to amidines via C(sp2)–N coupling of trifluoroborate-iminiums with N-fluorobenzenesulfonimide","Chemical Science","2025","16","26","12012","12023","10.1039/D5SC02912K","","","1.54184","CuKα","","0.0398","0.0359","","","0.0982","0.102","","","","","","1.045","","","","has coordinates","300565","2025-07-06","14:00:53",""
"1574788","7.816","0.0002","5.549","0.0001","16.7197","0.0004","90","","97.198","0.002","90","","719.43","0.03","150","0.1","150","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H16 N2 O3 S -","- C15 H16 N2 O3 S -","- C30 H32 N4 O6 S2 -","2","1","","Knez, Damijan; Šterman, Andrej; Sosič, Izidor; Perdih, Franc; Nuñez, Gonzalo D.; Knaflič, Tilen; Arčon, Denis; Besora, Maria; Carbó, Jorge J.; Fernández, Elena; Časar, Zdenko","Access to amidines via C(sp2)–N coupling of trifluoroborate-iminiums with N-fluorobenzenesulfonimide","Chemical Science","2025","16","26","12012","12023","10.1039/D5SC02912K","","","1.54184","CuKα","","0.0408","0.039","","","0.1033","0.1053","","","","","","1.069","","","","has coordinates","300565","2025-07-06","14:00:53",""
"1574789","14.3193","0.0002","7.0764","0.0001","27.0199","0.0003","90","","90","","90","","2737.9","0.06","150","0.1","150","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H14 N2 O3 S -","- C14 H14 N2 O3 S -","- C112 H112 N16 O24 S8 -","8","1","","Knez, Damijan; Šterman, Andrej; Sosič, Izidor; Perdih, Franc; Nuñez, Gonzalo D.; Knaflič, Tilen; Arčon, Denis; Besora, Maria; Carbó, Jorge J.; Fernández, Elena; Časar, Zdenko","Access to amidines via C(sp2)–N coupling of trifluoroborate-iminiums with N-fluorobenzenesulfonimide","Chemical Science","2025","16","26","12012","12023","10.1039/D5SC02912K","","","1.54184","CuKα","","0.0452","0.0388","","","0.1026","0.1106","","","","","","1.069","","","","has coordinates","300565","2025-07-06","14:00:53",""
"1574790","8.5461","0.0002","23.147","0.0007","20.3641","0.0006","90","","92.362","0.003","90","","4024.93","0.19","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 N2 O2 S -","- C14 H14 N2 O2 S -","- C168 H168 N24 O24 S12 -","12","3","","Knez, Damijan; Šterman, Andrej; Sosič, Izidor; Perdih, Franc; Nuñez, Gonzalo D.; Knaflič, Tilen; Arčon, Denis; Besora, Maria; Carbó, Jorge J.; Fernández, Elena; Časar, Zdenko","Access to amidines via C(sp2)–N coupling of trifluoroborate-iminiums with N-fluorobenzenesulfonimide","Chemical Science","2025","16","26","12012","12023","10.1039/D5SC02912K","","x-ray","0.71073","MoKα","","0.0483","0.0375","","","0.0908","0.0972","","","","","","1.037","","","","has coordinates","300565","2025-07-06","14:00:53",""
"1574791","7.4981","0.0005","16.7375","0.0012","18.9431","0.0013","90","","90","","90","","2377.3","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H27 N O2 Si -","- C28 H27 N O2 Si -","- C112 H108 N4 O8 Si4 -","4","1","","Corcoran, James C.; Zhu, Jin; Semenick, Mason A.; Welser, Anna L.; Wang, Yi-Ming","Intramolecular asymmetric propargylation of esters and imides: C-H functionalisation enables stereocontrolled access to UCS1025A.","Chemical science","2025","16","28","12879","12884","10.1039/d5sc02523k","","","0.71073","MoKα","","0.0469","0.0371","","","0.0843","0.0893","","","","","","1.023","","","","has coordinates","301537","2025-08-05","21:15:18",""
"1574792","10.7177","0.0019","11.995","0.003","15.986","0.003","90","","90","","90","","2055.1","0.7","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H25 N O2 Si -","- C23 H25 N O2 Si -","- C92 H100 N4 O8 Si4 -","4","1","","Corcoran, James C.; Zhu, Jin; Semenick, Mason A.; Welser, Anna L.; Wang, Yi-Ming","Intramolecular asymmetric propargylation of esters and imides: C-H functionalisation enables stereocontrolled access to UCS1025A.","Chemical science","2025","16","28","12879","12884","10.1039/d5sc02523k","","","1.54184","","","0.0281","0.0277","","","0.0745","0.0748","","","","","","1.013","","","","has coordinates","301537","2025-08-05","21:15:18",""
"1574793","23.2091","0.0007","10.1744","0.0003","14.2246","0.0005","90","","113.837","0.001","90","","3072.45","0.17","120","2","120","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C2.77 H2.15 Cl0.15 F0.23 N0.08 O0.31 -","- C2.76923 H2.15385 Cl0.153846 F0.230769 N0.0769231 O0.307692 -","- C144 H112 Cl8 F12 N4 O16 -","52","13","","Mondal, Abdur Rouf Samim; Bapat, Nakul Abhay; Mishra, Harshita; Hari, Durga Prasad","Highly stereoselective synthesis of polysubstituted housanes and spiro-oxa-housanes: application and mechanistic insights.","Chemical science","2025","16","27","12350","12361","10.1039/d5sc02288f","","","0.71073","MoKα","","0.0609","0.055","","","0.1462","0.1503","","","","","","1.067","","","","has coordinates","301541","2025-08-05","21:16:54",""
"1574794","12.0072","0.0007","11.2445","0.0009","20.5394","0.0016","90","","91.189","0.003","90","","2772.5","0.3","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H26 Cl N O5 -","- C34 H19 Cl N O5 -","- C136 H76 Cl4 N4 O20 -","4","1","","Mondal, Abdur Rouf Samim; Bapat, Nakul Abhay; Mishra, Harshita; Hari, Durga Prasad","Highly stereoselective synthesis of polysubstituted housanes and spiro-oxa-housanes: application and mechanistic insights.","Chemical science","2025","16","27","12350","12361","10.1039/d5sc02288f","","","0.71073","MoKα","","0.1466","0.1115","","","0.252","0.271","","","","","","1.093","","","","has coordinates","301541","2025-08-05","21:16:55",""
"1574795","11.3001","0.0007","13.4126","0.0008","16.3714","0.0009","76.397","0.002","75.85","0.002","67.123","0.002","2189.3","0.2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H40 F6 N2 O6 -","- C54 H40 F6 N2 O6 -","- C108 H80 F12 N4 O12 -","2","1","","Mondal, Abdur Rouf Samim; Bapat, Nakul Abhay; Mishra, Harshita; Hari, Durga Prasad","Highly stereoselective synthesis of polysubstituted housanes and spiro-oxa-housanes: application and mechanistic insights.","Chemical science","2025","16","27","12350","12361","10.1039/d5sc02288f","","x-ray","0.71073","MoKα","","0.1004","0.0829","","","0.1774","0.1858","","","","","","1.174","","","","has coordinates","301541","2025-08-05","21:16:55",""
"1574796","8.5086","0.0007","10.3951","0.0009","11.77","0.001","94.161","0.003","106.191","0.003","91.831","0.003","995.62","0.15","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H16 F4 O4 -","- C24 H16 F4 O4 -","- C48 H32 F8 O8 -","2","1","","Mondal, Abdur Rouf Samim; Bapat, Nakul Abhay; Mishra, Harshita; Hari, Durga Prasad","Highly stereoselective synthesis of polysubstituted housanes and spiro-oxa-housanes: application and mechanistic insights.","Chemical science","2025","16","27","12350","12361","10.1039/d5sc02288f","","","0.71073","MoKα","","0.0437","0.0402","","","0.1053","0.1079","","","","","","1.038","","","","has coordinates","301541","2025-08-05","21:16:55",""
"1574797","35.3662","0.0015","35.3662","0.0015","9.9973","0.0007","90","","90","","120","","10829","1","120","2","120","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C37.12 H28.61 N1.12 O3.38 -","- C37.125 H28.6076 N1.125 O3.375 -","- C594 H457.722 N18 O54 -","16","0.888889","","Mondal, Abdur Rouf Samim; Bapat, Nakul Abhay; Mishra, Harshita; Hari, Durga Prasad","Highly stereoselective synthesis of polysubstituted housanes and spiro-oxa-housanes: application and mechanistic insights.","Chemical science","2025","16","27","12350","12361","10.1039/d5sc02288f","","x-ray","0.71073","MoKα","","0.0766","0.0627","","","0.1518","0.1615","","","","","","0.993","","","","has coordinates,has disorder","301541","2025-08-05","21:16:55",""
"1574798","13.8273","0.001","7.352","0.0006","11.6565","0.001","90","","90.016","0.006","90","","1184.98","0.16","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H18 O -","- C14 H18 O -","- C56 H72 O4 -","4","2","","Gonzalez, Elijah C.; de la Torre Roehl, Isabel M.; Stoltz, Brian M.","Concise total synthesis of the cage-like sesquiterpenoid (+)-daphnepapytone A","Chemical Science","2025","16","25","11381","11385","10.1039/D5SC02952J","","","1.54178","CuKα","","0.0264","0.0258","","","0.0652","0.0654","","","","","","1.053","","","","has coordinates","300623","2025-07-06","14:27:19",""
"1574799","17.747","0.002","19.054","0.002","7.349","0.0006","90","","90","","90","","2485.1","0.4","100","2","100","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C15 H18 O2 -","- C15 H18 O2 -","- C120 H144 O16 -","8","2","","Gonzalez, Elijah C.; de la Torre Roehl, Isabel M.; Stoltz, Brian M.","Concise total synthesis of the cage-like sesquiterpenoid (+)-daphnepapytone A","Chemical Science","2025","16","25","11381","11385","10.1039/D5SC02952J","","","1.54178","CuKα","","0.0503","0.0374","","","0.0828","0.0897","","","","","","1.021","","","","has coordinates","300623","2025-07-06","14:27:19",""
"1574800","9.7645","0.0008","10.4864","0.0008","12.1839","0.0009","90","","90","","90","","1247.56","0.17","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 O2 -","- C15 H18 O2 -","- C60 H72 O8 -","4","1","","Gonzalez, Elijah C.; de la Torre Roehl, Isabel M.; Stoltz, Brian M.","Concise total synthesis of the cage-like sesquiterpenoid (+)-daphnepapytone A","Chemical Science","2025","16","25","11381","11385","10.1039/D5SC02952J","","","1.54178","CuKα","","0.0294","0.0279","","","0.0733","0.0738","","","","","","1.069","","","","has coordinates","300623","2025-07-06","14:27:19",""
"1574801","9.6601","0.0012","6.2154","0.0007","11.633","0.0013","90","","90","","90","","698.46","0.14","296","2","296.15","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- B Ba S4 Sb -","- B Ba S4 Sb -","- B4 Ba4 S16 Sb4 -","4","0.5","","Zhang, Ming-Zhi; Zhao, Yue; Hu, Chun-Li; Mao, Jiang-Gao","BaSbBS<sub>4</sub>: a record-high-performance birefringent crystal identified by a target-driven closed-loop strategy.","Chemical science","2025","16","27","12577","12586","10.1039/d5sc01983d","","","0.71073","MoKα","","0.043","0.0342","","","0.0779","0.0845","","","","","","1.078","","","","has coordinates","301549","2025-08-05","21:19:01",""
"1574802","10.6394","0.0006","10.7112","0.0006","23.9695","0.0013","90.188","0.002","102.38","0.002","104.147","0.002","2582.7","0.3","170","","170","","","","","","","","","3","P -1","-P 1","2","","","","- C29 H40 O4 -","- C29 H40 O4 -","- C116 H160 O16 -","4","2","","Sun, Ruikang; Zhang, Pei; Yan, Yong; Zhu, Jie; Chen, Qirui; Yang, Chi; Lin, Aijun; Li, Xuanyi; Gao, Shang; Yao, Hequan","Single-carbon-atom transfer to <i>para</i>-quinone methides from TMSCF<sub>2</sub>Br.","Chemical science","2025","16","27","12324","12331","10.1039/d5sc03234b","","","0.71073","MoKα","","0.142","0.0866","","","0.222","0.2458","","","","","","1.049","","","","has coordinates","301546","2025-08-05","21:18:21",""
"1574803","12.9119","0.001","7.906","0.0007","22.6326","0.0018","90","","105.139","0.003","90","","2230.2","0.3","173","","173","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H27 N O2 Si -","- C26 H27 N O2 Si -","- C104 H108 N4 O8 Si4 -","4","2","","Wu, Yichen; Qian, Hao-Yang; Zhang, Heng; Zou, Jian-Ye; Wu, Qing-Yan; Nie, Xiao-Xue; Zheng, Long; Peng, Qian; Wang, Peng","Rh-catalyzed enantioselective hydrosilylation of unactivated alkenes.","Chemical science","2025","16","27","12594","12602","10.1039/d5sc02711j","","","1.34139","GaKα","","0.1396","0.1022","","","0.2663","0.2951","","","","","","1.022","","","","has coordinates","301548","2025-08-05","21:18:54",""
"1574804","14.2417","0.0012","14.4218","0.0012","16.509","0.0015","90","","103.326","0.004","90","","3299.5","0.5","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H46 B2 N2 O2 -","- C38 H46 B2 N2 O2 -","- C152 H184 B8 N8 O8 -","4","0.5","","Wang, Yuyi; Shi, Tao; Yue, Ling; Zhou, Guijiang; Su, Bochao","Carbene-stabilized 6,12-diboraanthanthrenes: unveiling the multistage redox properties of polycyclic aromatic hydrocarbons featuring electron-rich boron centers.","Chemical science","2025","16","27","12510","12518","10.1039/d5sc02449h","","","0.71073","MoKα","","0.0766","0.0527","","","0.1312","0.1478","","","","","","1.06","","","","has coordinates","301545","2025-08-05","21:18:06",""
"1574805","10.5812","0.0005","19.2594","0.0011","29.9453","0.0016","90","","90","","90","","6102.5","0.6","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C60 H72 B2 N2 -","- C60 H72 B2 N2 -","- C240 H288 B8 N8 -","4","0.5","","Wang, Yuyi; Shi, Tao; Yue, Ling; Zhou, Guijiang; Su, Bochao","Carbene-stabilized 6,12-diboraanthanthrenes: unveiling the multistage redox properties of polycyclic aromatic hydrocarbons featuring electron-rich boron centers.","Chemical science","2025","16","27","12510","12518","10.1039/d5sc02449h","","","1.54178","CuKα","","0.0864","0.0642","","","0.1653","0.1852","","","","","","1.06","","","","has coordinates,has disorder","301545","2025-08-05","21:18:07",""
"1574806","13.2016","0.0003","13.5917","0.0003","27.9529","0.0008","90","","91.891","0.002","90","","5012.9","0.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C94 H136 B2 K2 N8 O14 -","- C94 H136 B2 K2 N8 O14 -","- C188 H272 B4 K4 N16 O28 -","2","0.5","","Wang, Yuyi; Shi, Tao; Yue, Ling; Zhou, Guijiang; Su, Bochao","Carbene-stabilized 6,12-diboraanthanthrenes: unveiling the multistage redox properties of polycyclic aromatic hydrocarbons featuring electron-rich boron centers.","Chemical science","2025","16","27","12510","12518","10.1039/d5sc02449h","","","1.54178","CuKα","","0.0937","0.0679","","","0.1767","0.1962","","","","","","1.086","","","","has coordinates","301545","2025-08-05","21:18:07",""
"1574807","12.3898","0.0006","17.0733","0.0008","19.6357","0.0009","109.541","0.002","106.403","0.002","93.078","0.002","3704.3","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C80 H86 B2 F8 N4 Sb -","- C80 H86 B2 F8 N4 Sb -","- C160 H172 B4 F16 N8 Sb2 -","2","1","","Wang, Yuyi; Shi, Tao; Yue, Ling; Zhou, Guijiang; Su, Bochao","Carbene-stabilized 6,12-diboraanthanthrenes: unveiling the multistage redox properties of polycyclic aromatic hydrocarbons featuring electron-rich boron centers.","Chemical science","2025","16","27","12510","12518","10.1039/d5sc02449h","","","0.71073","MoKα","","0.0833","0.0542","","","0.1376","0.1574","","","","","","1.034","","","","has coordinates","301545","2025-08-05","21:18:07",""
"1574808","16.4468","0.001","9.5691","0.0006","19.4316","0.0012","90","","109.712","0.002","90","","2879","0.3","150","2","150","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C60 H72 B2 F6 N2 Sb -","- C60 H72 B2 F6 N2 Sb -","- C120 H144 B4 F12 N4 Sb2 -","2","0.5","","Wang, Yuyi; Shi, Tao; Yue, Ling; Zhou, Guijiang; Su, Bochao","Carbene-stabilized 6,12-diboraanthanthrenes: unveiling the multistage redox properties of polycyclic aromatic hydrocarbons featuring electron-rich boron centers.","Chemical science","2025","16","27","12510","12518","10.1039/d5sc02449h","","","0.71073","MoKα","","0.1028","0.0799","","","0.2112","0.2291","","","","","","1.073","","","","has coordinates","301545","2025-08-05","21:18:07",""
"1574809","14.9184","0.0006","17.1615","0.0007","20.7225","0.0009","90","","106.128","0.002","90","","5096.6","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C104 H160 B2 K2 N6 O14 -","- C104 H160 B2 K2 N6 O14 -","- C208 H320 B4 K4 N12 O28 -","2","0.5","","Wang, Yuyi; Shi, Tao; Yue, Ling; Zhou, Guijiang; Su, Bochao","Carbene-stabilized 6,12-diboraanthanthrenes: unveiling the multistage redox properties of polycyclic aromatic hydrocarbons featuring electron-rich boron centers.","Chemical science","2025","16","27","12510","12518","10.1039/d5sc02449h","","","1.54178","CuKα","","0.0509","0.0455","","","0.1276","0.1328","","","","","","1.035","","","","has coordinates","301545","2025-08-05","21:18:07",""
"1574810","11.1662","0.0005","11.7494","0.0006","15.5317","0.0008","71.647","0.002","84.332","0.002","88.761","0.002","1924.5","0.17","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C90 H114 B2 N4 O4 -","- C90 H114 B2 N4 O4 -","- C90 H114 B2 N4 O4 -","1","0.5","","Wang, Yuyi; Shi, Tao; Yue, Ling; Zhou, Guijiang; Su, Bochao","Carbene-stabilized 6,12-diboraanthanthrenes: unveiling the multistage redox properties of polycyclic aromatic hydrocarbons featuring electron-rich boron centers.","Chemical science","2025","16","27","12510","12518","10.1039/d5sc02449h","","","0.71073","MoKα","","0.1228","0.0847","","","0.2291","0.2634","","","","","","1.055","","","","has coordinates,has disorder","301545","2025-08-05","21:18:07",""
"1574811","12.4457","0.0007","27.8277","0.0017","13.024","0.0008","90","","95.719","0.002","90","","4488.2","0.5","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C76 H86 B2 Cl4 F12 N4 Sb2 -","- C76 H86 B2 Cl4 F12 N4 Sb2 -","- C152 H172 B4 Cl8 F24 N8 Sb4 -","2","0.5","","Wang, Yuyi; Shi, Tao; Yue, Ling; Zhou, Guijiang; Su, Bochao","Carbene-stabilized 6,12-diboraanthanthrenes: unveiling the multistage redox properties of polycyclic aromatic hydrocarbons featuring electron-rich boron centers.","Chemical science","2025","16","27","12510","12518","10.1039/d5sc02449h","","","0.71073","MoKα","","0.0982","0.0817","","","0.1734","0.1819","","","","","","1.119","","","","has coordinates","301545","2025-08-05","21:18:07",""
"1574812","11.1837","0.0011","32.5","0.003","21.1355","0.0019","90","","92.894","0.003","90","","7672.3","1.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C72 H80 B2 F16 N2 Sb2 -","- C72 H80 B2 F16 N2 Sb2 -","- C288 H320 B8 F64 N8 Sb8 -","4","1","","Wang, Yuyi; Shi, Tao; Yue, Ling; Zhou, Guijiang; Su, Bochao","Carbene-stabilized 6,12-diboraanthanthrenes: unveiling the multistage redox properties of polycyclic aromatic hydrocarbons featuring electron-rich boron centers.","Chemical science","2025","16","27","12510","12518","10.1039/d5sc02449h","","","0.71073","MoKα","","0.0824","0.064","","","0.1579","0.1694","","","","","","1.032","","","","has coordinates","301545","2025-08-05","21:18:07",""
"1574813","10.0247","0.0004","10.519","0.0005","11.3139","0.0005","111.372","0.004","115.622","0.004","95.402","0.004","955.68","0.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H20 N2 O -","- C25 H20 N2 O -","- C50 H40 N4 O2 -","2","1","","Guo, Weihan; Zhao, Hua; Wang, Mingda; Si, Leilei; Yang, Kaixin; Xia, Guomin; Wang, Hongming","Intramolecular tension-driven self-recovering mechanochromism in organic microcrystals.","Chemical science","2025","16","29","13345","13351","10.1039/d5sc02457a","","","0.71073","MoKα","","0.0764","0.0539","","","0.1458","0.1596","","","","","","1.012","","","","has coordinates","301526","2025-08-05","21:12:03",""
"1574814","11.9874","0.0005","17.6677","0.0009","10.452","0.0005","90","","105.409","0.002","90","","2134.06","0.17","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H24 N2 O -","- C27 H24 N2 O -","- C108 H96 N8 O4 -","4","1","","Guo, Weihan; Zhao, Hua; Wang, Mingda; Si, Leilei; Yang, Kaixin; Xia, Guomin; Wang, Hongming","Intramolecular tension-driven self-recovering mechanochromism in organic microcrystals.","Chemical science","2025","16","29","13345","13351","10.1039/d5sc02457a","","","0.71073","MoKα","","0.079","0.0642","","","0.1658","0.1776","","","","","","1.086","","","","has coordinates","301526","2025-08-05","21:12:05",""
"1574815","11.4592","0.0012","11.52","0.0013","19.198","0.002","85.698","0.005","85.659","0.005","63.308","0.004","2255.4","0.4","273.15","","273.15","","","","","","","","","4","P -1","-P 1","2","","","","- C27 H24 N2 O3 -","- C27 H24 N2 O3 -","- C108 H96 N8 O12 -","4","2","","Guo, Weihan; Zhao, Hua; Wang, Mingda; Si, Leilei; Yang, Kaixin; Xia, Guomin; Wang, Hongming","Intramolecular tension-driven self-recovering mechanochromism in organic microcrystals.","Chemical science","2025","16","29","13345","13351","10.1039/d5sc02457a","","","0.71073","MoKα","","0.1325","0.083","","","0.2098","0.2335","","","","","","1.067","","","","has coordinates","301526","2025-08-05","21:12:15",""
"1574816","9.418","0.015","10.444","0.017","10.672","0.017","68.47","0.02","74.62","0.02","73.96","0.02","923","3","300","","300","","","","","","","","","4","P -1","-P 1","2","","","","- C25 H20 N2 O -","- C25 H20 N2 O -","- C50 H40 N4 O2 -","2","1","","Guo, Weihan; Zhao, Hua; Wang, Mingda; Si, Leilei; Yang, Kaixin; Xia, Guomin; Wang, Hongming","Intramolecular tension-driven self-recovering mechanochromism in organic microcrystals.","Chemical science","2025","16","29","13345","13351","10.1039/d5sc02457a","","x-ray","0.71073","MoKα","","0.2611","0.0953","","","0.172","0.2387","","","","","","0.966","","","","has coordinates","301526","2025-08-05","21:12:17",""
"1574817","11.358","0.0002","12.5546","0.0002","14.4385","0.0003","104.294","0.001","104.552","0.002","97.394","0.001","1890.77","0.06","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C25 H20 N2 O -","- C25 H20 N2 O -","- C100 H80 N8 O4 -","4","2","","Guo, Weihan; Zhao, Hua; Wang, Mingda; Si, Leilei; Yang, Kaixin; Xia, Guomin; Wang, Hongming","Intramolecular tension-driven self-recovering mechanochromism in organic microcrystals.","Chemical science","2025","16","29","13345","13351","10.1039/d5sc02457a","","","0.71073","MoKα","","0.054","0.0419","","","0.1013","0.1076","","","","","","1.073","","","","has coordinates","301526","2025-08-05","21:12:31",""
"1574818","15.068","0.0011","6.3158","0.0005","22.0503","0.0016","90","","100.439","0.003","90","","2063.7","0.3","200","","200","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H22 N2 O2 -","- C27 H22 N2 O2 -","- C108 H88 N8 O8 -","4","1","","Jiang, Qin; Dong, Jianyang; Lei, Fang; Yu, Dejiang; Li, Ting; Sun, Huaming; Xue, Dong","Strain-release driven spirocyclization of bicyclo[1.1.0]butanes: access to 6,7-diazaspiro[3.4]octanes","Chemical Science","2025","16","26","12189","12195","10.1039/D5SC03141A","","","1.54178","CuKα","","0.0824","0.0574","","","0.154","0.1616","","","","","","1.093","","","","has coordinates","300567","2025-07-06","14:01:45",""
"1574855","23.448","0.012","14.472","0.006","14.747","0.008","90","","93.73","0.02","90","","4994","4","272","2","272","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C64 H48 N2 O2 -","- C64 H48 N2 O2 -","- C256 H192 N8 O8 -","4","1","","Chen, Zhao; Zou, Yijie; Yin, Ya; Deng, Diandian; Yang, Yue; Fan, Congbin; Pu, Shouzhi; Liu, Gang","Molecular engineering of bis(triphenylamine)-modified fluorene luminophore for immensely enriching anisotropic force-triggered high-contrast tricolor fluorescent molecular switches library.","Chemical science","2025","16","27","12293","12302","10.1039/d5sc02314a","","","0.71073","MoKα","","0.096","0.0577","","","0.15","0.17","","","","","","1.024","","","","has coordinates","301544","2025-08-05","21:17:35",""
"1574856","23.7964","0.0007","14.8763","0.0003","14.0068","0.0004","90","","93.979","0.001","90","","4946.5","0.2","272","2","272","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C62 H42 N4 O4 -","- C62 H42 N4 O4 -","- C248 H168 N16 O16 -","4","1","","Chen, Zhao; Zou, Yijie; Yin, Ya; Deng, Diandian; Yang, Yue; Fan, Congbin; Pu, Shouzhi; Liu, Gang","Molecular engineering of bis(triphenylamine)-modified fluorene luminophore for immensely enriching anisotropic force-triggered high-contrast tricolor fluorescent molecular switches library.","Chemical science","2025","16","27","12293","12302","10.1039/d5sc02314a","","","0.71073","MoKα","","0.0936","0.0595","","","0.1705","0.1909","","","","","","1.092","","","","has coordinates","301544","2025-08-05","21:17:36",""
"1574857","7.2281","0.0003","17.0092","0.0008","16.9709","0.0007","90","","96.963","0.002","90","","2071.09","0.16","120","2","120","2","","","","","","","crystallized by the authors","6","P 1 21/c 1","-P 2ybc","14","","","","- C23.16 H27.33 Br Cl N O1.08 -","- C21 H23 Br Cl N -","- C84 H92 Br4 Cl4 N4 -","4","1","","Santos Hurtado, Carina; Bastien, Guillaume; Lončarić, Doroteja; Dračínský, Martin; Císařová, Ivana; Masson, Eric; Kaleta, Jiří","Surface inclusion and dynamics of cucurbit[7]uril-based supramolecular complexes.","Chemical science","2025","16","31","14081","14087","10.1039/d5sc03152d","","","0.71073","MoKα","","0.022","0.0212","","","0.0531","0.0535","","","","","","1.072","","","","has coordinates","302504","2025-10-06","07:42:40",""
"1574858","17.1318","0.0006","8.8789","0.0003","12.0049","0.0004","90","","90","","90","","1826.08","0.11","120","2","120","2","","","","","","","crystallized by the authors","4","F d d 2","F 2 -2d","43","","","","- C11 H8 Br N -","- C11 H8 Br N -","- C88 H64 Br8 N8 -","8","0.5","","Santos Hurtado, Carina; Bastien, Guillaume; Lončarić, Doroteja; Dračínský, Martin; Císařová, Ivana; Masson, Eric; Kaleta, Jiří","Surface inclusion and dynamics of cucurbit[7]uril-based supramolecular complexes.","Chemical science","2025","16","31","14081","14087","10.1039/d5sc03152d","","","0.71073","MoKα","","0.0145","0.0134","","","0.0338","0.0341","","","","","","1.101","","","","has coordinates","302504","2025-10-06","07:42:42",""
"1574859","14.3576","0.0005","42.1432","0.0015","9.9596","0.0004","90","","114.105","0.001","90","","5500.8","0.4","120","2","120","2","","","","","","","synthesized by the authors","6","C 1 c 1","C -2yc","9","","","","- C17 H13.47 Br Cl N3 O5.24 -","- C17 H13.4727 Br Cl N3 O5.23633 -","- C204 H161.672 Br12 Cl12 N36 O62.836 -","12","3","","Santos Hurtado, Carina; Bastien, Guillaume; Lončarić, Doroteja; Dračínský, Martin; Císařová, Ivana; Masson, Eric; Kaleta, Jiří","Surface inclusion and dynamics of cucurbit[7]uril-based supramolecular complexes.","Chemical science","2025","16","31","14081","14087","10.1039/d5sc03152d","","","0.71073","MoKα","","0.0311","0.0302","","","0.0831","0.0837","","","","","","1.043","","","","has coordinates,has disorder","302504","2025-10-06","07:42:42",""
"1574860","23.988","0.006","12.672","0.003","19.276","0.005","90","","101.714","0.009","90","","5737","2","293.3","","293.3","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","[Eu2(Phen)4(CO3)3(H2O)2]n","","- C51 H60 Eu2 N8 O25 -","- C51 H60 Eu2 N8 O25 -","- C204 H240 Eu8 N32 O100 -","4","0.5","","Zhao, Lu; Xu, Zhenjie; Song, Xianzhen; Ding, Caifeng; Ju, Huangxian","Self-supplying coreactant radical and structural distortion induced by carbonate ligand in metal-organic framework for anomalous deep-red Self-electrochemiluminescence.","Chemical science","2025","16","27","12493","12498","10.1039/d5sc02359a","","x-ray","0.71073","MoKα","","0.0408","0.029","","","0.0629","0.0685","","","","","","1.033","","","","has coordinates,has disorder","301539","2025-08-05","21:15:59",""
"1574861","25.4801","0.0015","23.6113","0.0015","20.8659","0.0015","90","","127.581","0.004","90","","9948.4","1.2","150","2","150","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C116.654 H97.264 Ga8 N16.218 Nd2 O61.087 -","- C116.648 H97.264 Ga8 N16.216 Nd2 O61.092 -","- C233.296 H194.528 Ga16 N32.432 Nd4 O122.184 -","2","0.25","","Lathion, Timothée; Bourseguin, Julie; Eliseeva, Svetlana V.; Zeller, Matthias; Petoud, Stéphane; Pecoraro, Vincent L.","Novel lanthanide(iii)/gallium(iii) metallacrowns with appended visible-absorbing organic sensitizers for molecular near-infrared imaging of living cells.","Chemical science","2025","16","27","12623","12634","10.1039/d5sc01320h","","","0.71073","MoKα","","0.0757","0.0636","","","0.1821","0.1958","","","","","","1.032","","","","has coordinates,has disorder","301542","2025-08-05","21:17:07",""
"1574862","11.0048","0.0002","9.98913","0.00019","20.5935","0.0004","90","","99.8007","0.0019","90","","2230.77","0.07","99.99","0.1","99.99","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C46 H56 O17 -","- C46 H56 O17 -","- C92 H112 O34 -","2","1","","Zhang, Jing-Dong; Jie, Jia-Long; Yan, Shu-Yi; Zhang, Hui; Chen, Jia-Meng; Wu, Jiang-Cheng; Qin, Lu-Yang; Liu, Guang-Jian; Su, Hong-Mei; Xing, Guo-Wen","Single electron/energy transfer photocatalysis: α-/β-switchable synthesis of 3-deoxy-d-manno-oct-2-ulosonic acid <i>O</i>-glycosides.","Chemical science","2025","16","28","13070","13081","10.1039/d5sc02980e","","x-ray","1.54184","CuKα","","0.0548","0.0491","","","0.1348","0.1408","","","","","","1.051","","","","has coordinates","301538","2025-08-05","21:15:27",""
"1574863","10.19414","0.00011","11.29721","0.00014","28.984","0.0003","90","","90","","90","","3337.95","0.06","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H44 O17 -","- C30 H44 O17 -","- C120 H176 O68 -","4","1","","Zhang, Jing-Dong; Jie, Jia-Long; Yan, Shu-Yi; Zhang, Hui; Chen, Jia-Meng; Wu, Jiang-Cheng; Qin, Lu-Yang; Liu, Guang-Jian; Su, Hong-Mei; Xing, Guo-Wen","Single electron/energy transfer photocatalysis: α-/β-switchable synthesis of 3-deoxy-d-manno-oct-2-ulosonic acid <i>O</i>-glycosides.","Chemical science","2025","16","28","13070","13081","10.1039/d5sc02980e","","x-ray","1.54184","CuKα","","0.0542","0.0521","","","0.1309","0.1328","","","","","","1.059","","","","has coordinates","301538","2025-08-05","21:15:37",""
"1574864","11.3851","0.0008","11.3851","0.0008","64.721","0.007","90","","90","","120","","7265.2","1.1","100","2","100","2","","","","","","","","6","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C24 H35 F N2 O2 Si -","- C24 H35 F N2 O2 Si -","- C288 H420 F12 N24 O24 Si12 -","12","1","","Chang, Yun-Pu; Blanco-Herrero, Kevin; Alturaifi, Turki M.; Fettinger, James C.; Liu, Peng; Franz, Annaliese K.","Multifunctional chiral silanol ligands for enantioselective catalysis.","Chemical science","2025","16","30","13678","13683","10.1039/d5sc02528a","","","0.71073","MoKα","","0.0404","0.0378","","","0.092","0.0933","","","","","","1.152","","","","has coordinates","301551","2025-08-05","21:20:37",""
"1574865","5.2703","0.0003","13.9801","0.0009","21.4626","0.0014","90","","90","","90","","1581.35","0.17","190","2","190","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H21 F N2 O -","- C18 H21 F N2 O -","- C72 H84 F4 N8 O4 -","4","1","","Chang, Yun-Pu; Blanco-Herrero, Kevin; Alturaifi, Turki M.; Fettinger, James C.; Liu, Peng; Franz, Annaliese K.","Multifunctional chiral silanol ligands for enantioselective catalysis.","Chemical science","2025","16","30","13678","13683","10.1039/d5sc02528a","","","1.54178","CuKα","","0.0455","0.0443","","","0.1179","0.12","","","","","","1.05","","","","has coordinates","301551","2025-08-05","21:20:37",""
"1574866","11.6012","0.0002","14.6138","0.0003","17.9894","0.0003","90","","90","","90","","3049.88","0.1","190","2","190","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 F N2 -","- C18 H19 F N2 -","- C144 H152 F8 N16 -","8","2","","Chang, Yun-Pu; Blanco-Herrero, Kevin; Alturaifi, Turki M.; Fettinger, James C.; Liu, Peng; Franz, Annaliese K.","Multifunctional chiral silanol ligands for enantioselective catalysis.","Chemical science","2025","16","30","13678","13683","10.1039/d5sc02528a","","","0.71073","MoKα","","0.0358","0.0319","","","0.0772","0.0798","","","","","","1.016","","","","has coordinates,has disorder","301551","2025-08-05","21:20:37",""
"1574867","10.4984","0.0006","23.5281","0.0013","11.1188","0.0006","90","","109.222","0.0012","90","","2593.3","0.2","90","2","90","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H37 F N2 O2 Si -","- C25 H37 F N2 O2 Si -","- C100 H148 F4 N8 O8 Si4 -","4","2","","Chang, Yun-Pu; Blanco-Herrero, Kevin; Alturaifi, Turki M.; Fettinger, James C.; Liu, Peng; Franz, Annaliese K.","Multifunctional chiral silanol ligands for enantioselective catalysis.","Chemical science","2025","16","30","13678","13683","10.1039/d5sc02528a","","","0.71073","MoKα","","0.0397","0.0344","","","0.0829","0.086","","","","","","1.038","","","","has coordinates,has disorder","301551","2025-08-05","21:20:37",""
"1574868","10.6067","0.0019","10.8407","0.0019","10.999","0.002","61.01","0.004","70.064","0.004","89.897","0.005","1019.2","0.3","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C24 H24 F N O2 Si -","- C24 H24 F N O2 Si -","- C48 H48 F2 N2 O4 Si2 -","2","2","","Chang, Yun-Pu; Blanco-Herrero, Kevin; Alturaifi, Turki M.; Fettinger, James C.; Liu, Peng; Franz, Annaliese K.","Multifunctional chiral silanol ligands for enantioselective catalysis.","Chemical science","2025","16","30","13678","13683","10.1039/d5sc02528a","","","0.71073","MoKα","","0.0284","0.028","","","0.0806","0.081","","","","","","1.02","","","","has coordinates","301551","2025-08-05","21:20:37",""
"1574869","12.8653","0.0014","12.9386","0.0014","14.2525","0.0016","76.0784","0.0015","80.3071","0.0016","65.8644","0.0015","2094.9","0.4","90","2","90","2","","","","","","","","8","P 1","P 1","1","","","","- C80 H84 B F26 N4 Na O5 Si2 -","- C80 H84 B F26 N4 Na O5 Si2 -","- C80 H84 B F26 N4 Na O5 Si2 -","1","1","","Chang, Yun-Pu; Blanco-Herrero, Kevin; Alturaifi, Turki M.; Fettinger, James C.; Liu, Peng; Franz, Annaliese K.","Multifunctional chiral silanol ligands for enantioselective catalysis.","Chemical science","2025","16","30","13678","13683","10.1039/d5sc02528a","","","0.71073","MoKα","","0.0702","0.0596","","","0.1549","0.1649","","","","","","1.033","","","","has coordinates,has disorder","301551","2025-08-05","21:20:37",""
"1574870","9.70607","0.0001","14.11052","0.00014","11.3915","0.00012","90","","93.1395","0.0009","90","","1557.81","0.03","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H25 B N2 O2 -","- C14 H25 B N2 O2 -","- C56 H100 B4 N8 O8 -","4","1","","Hu, Guanwen; Zhang, Peiqi; Wang, Xinmou; Wan, Chunteng; Fu, Yiyi; Leung, Wa Hung; Lin, Zhenyang; Quan, Yangjian","Nickel-catalyzed diastereoselective hydroboration of acrylates with a vinylborane reagent.","Chemical science","2025","16","29","13449","13458","10.1039/d5sc02695d","","x-ray","1.54184","CuKα","","0.0365","0.0345","","","0.09","0.092","","","","","","1.029","","","","has coordinates","301531","2025-08-05","21:14:06",""
"1574871","12.01864","0.00011","11.91416","0.00009","28.869","0.0002","90","","92.2828","0.0008","90","","4130.53","0.06","99.98","0.1","99.98","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C46 H43.75 B F6 N2 Ni P2 -","- C46 H43.75 B F6 N2 Ni P2 -","- C184 H175 B4 F24 N8 Ni4 P8 -","4","1","","Hu, Guanwen; Zhang, Peiqi; Wang, Xinmou; Wan, Chunteng; Fu, Yiyi; Leung, Wa Hung; Lin, Zhenyang; Quan, Yangjian","Nickel-catalyzed diastereoselective hydroboration of acrylates with a vinylborane reagent.","Chemical science","2025","16","29","13449","13458","10.1039/d5sc02695d","","x-ray","1.54184","CuKα","","0.0411","0.0349","","","0.0903","0.0947","","","","","","1.026","","","","has coordinates,has disorder","301531","2025-08-05","21:14:07",""
"1574872","10.3051","0.0003","13.6933","0.0005","13.8874","0.0003","90","","103.092","0.003","90","","1908.73","0.1","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H29 B N2 O3 -","- C14.03 H21.239 B N2 O2.403 -","- C56.12 H84.956 B4 N8 O9.612 -","4","1","","Hu, Guanwen; Zhang, Peiqi; Wang, Xinmou; Wan, Chunteng; Fu, Yiyi; Leung, Wa Hung; Lin, Zhenyang; Quan, Yangjian","Nickel-catalyzed diastereoselective hydroboration of acrylates with a vinylborane reagent.","Chemical science","2025","16","29","13449","13458","10.1039/d5sc02695d","","x-ray","1.54184","CuKα","","0.0739","0.0599","","","0.1487","0.1605","","","","","","1.074","","","","has coordinates,has disorder","301531","2025-08-05","21:14:07",""
"1574873","14.471","0.005","8.507","0.003","23.459","0.007","90","","90.215","0.007","90","","2887.9","1.7","273.15","","273.15","","","","","","","","","6","P 1 2 1","P 2y","3","","","","- C58 H52 Br4 Mn2 N8 O10 -","- C58 H52 Br4 Mn2 N8 O10 -","- C116 H104 Br8 Mn4 N16 O20 -","2","1","","Paira, Soumen; Jain, Nupur; Adhikari, Debarsee; Sunoj, Raghavan B.; Sundararaju, Basker","<i>A priori</i> Design of [Mn(i)-Cinchona] catalyst for Asymmetric Hydrogenation of Ketones and β-Keto carbonyl Derivatives.","Chemical science","2025","16","30","13826","13837","10.1039/d5sc02606g","","","0.71073","MoKα","","0.1088","0.0809","","","0.1865","0.2002","","","","","","1.065","","","","has coordinates","301552","2025-08-05","21:20:47",""
"1574874","6.191","0.0003","12.6923","0.0006","18.1436","0.001","90","","90","","90","","1425.69","0.12","273.15","","273.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","soumen","","- C13 H21 N O3 S -","- C13 H21 N O3 S -","- C52 H84 N4 O12 S4 -","4","1","","Paira, Soumen; Jain, Nupur; Adhikari, Debarsee; Sunoj, Raghavan B.; Sundararaju, Basker","<i>A priori</i> Design of [Mn(i)-Cinchona] catalyst for Asymmetric Hydrogenation of Ketones and β-Keto carbonyl Derivatives.","Chemical science","2025","16","30","13826","13837","10.1039/d5sc02606g","","","0.71073","MoKα","","0.0363","0.0306","","","0.0718","0.0764","","","","","","1.058","","","","has coordinates","301552","2025-08-05","21:20:48",""
"1574875","5.5996","0.0014","8.103","0.002","23.254","0.006","91.263","0.008","91.912","0.007","91.077","0.008","1054.1","0.5","273.15","","273.15","","","","","","","","","3","P 1","P 1","1","","","","- C14 H14 O -","- C14 H14 O -","- C56 H56 O4 -","4","4","","Paira, Soumen; Jain, Nupur; Adhikari, Debarsee; Sunoj, Raghavan B.; Sundararaju, Basker","<i>A priori</i> Design of [Mn(i)-Cinchona] catalyst for Asymmetric Hydrogenation of Ketones and β-Keto carbonyl Derivatives.","Chemical science","2025","16","30","13826","13837","10.1039/d5sc02606g","","","0.71073","MoKα","","0.1669","0.0977","","","0.2414","0.297","","","","","","1.013","","","","has coordinates,has disorder","301552","2025-08-05","21:20:48",""
"1574877","15.8904","0.0003","18.3627","0.0006","20.0324","0.0004","99.057","0.002","96.562","0.002","93.372","0.002","5717","0.2","149.99","0.12","149.99","0.12","","","","","","","","5","P -1","-P 1","2","","","","- C84 H92 N2 O20 S4 -","- C84 H94 N2 O20 S4 -","- C252 H282 N6 O60 S12 -","3","1.5","","Ma, Yao; Li, Dongxu; Chen, Xin; Hua, Xinqiang; Yuan, Cheng-Shan; Wang, Jianguo; Liu, Zitong; Zhang, Hao-Li; Shao, Xiangfeng","Valence state engineering in multi-heteroatom-doped PAHs: a strategy for tunable photophysical properties and phototheranostic potentials.","Chemical science","2025","16","28","13057","13069","10.1039/d5sc02061a","","x-ray","1.54184","CuKα","","0.1209","0.0711","","","0.1859","0.2189","","","","","","1.001","","","","has coordinates","301535","2025-08-05","21:14:47",""
"1574878","9.12078","0.00014","18.7864","0.0003","25.9913","0.0004","90","","92.9385","0.0014","90","","4447.67","0.12","149.99","0.1","149.99","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C47 H52 F3 N O9 S Se2 -","- C47 H52 F3 N O9 S Se2 -","- C188 H208 F12 N4 O36 S4 Se8 -","4","1","","Ma, Yao; Li, Dongxu; Chen, Xin; Hua, Xinqiang; Yuan, Cheng-Shan; Wang, Jianguo; Liu, Zitong; Zhang, Hao-Li; Shao, Xiangfeng","Valence state engineering in multi-heteroatom-doped PAHs: a strategy for tunable photophysical properties and phototheranostic potentials.","Chemical science","2025","16","28","13057","13069","10.1039/d5sc02061a","","x-ray","1.54184","CuKα","","0.0847","0.0767","","","0.1918","0.1948","","","","","","1.171","","","","has coordinates","301535","2025-08-05","21:14:48",""
"1574879","9.106","0.0001","18.7587","0.0002","25.8895","0.0002","90","","93.085","0.001","90","","4415.95","0.08","149.99","0.1","149.99","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C47 H52 F3 N O9 S3 -","- C47 H52 F3 N O9 S3 -","- C188 H208 F12 N4 O36 S12 -","4","1","","Ma, Yao; Li, Dongxu; Chen, Xin; Hua, Xinqiang; Yuan, Cheng-Shan; Wang, Jianguo; Liu, Zitong; Zhang, Hao-Li; Shao, Xiangfeng","Valence state engineering in multi-heteroatom-doped PAHs: a strategy for tunable photophysical properties and phototheranostic potentials.","Chemical science","2025","16","28","13057","13069","10.1039/d5sc02061a","","x-ray","1.54184","CuKα","","0.0592","0.0502","","","0.1327","0.1386","","","","","","1.017","","","","has coordinates","301535","2025-08-05","21:14:48",""
"1574880","13.90582","0.00011","15.07813","0.00013","15.90307","0.00014","112.371","0.0008","104.294","0.0007","100.202","0.0007","2848.02","0.05","178","2","178","2","","","","","","","","7","P 1","P 1","1","","I-Si","","- C104 H92 N4 O40 P4 Si W12 -","- C104 H92 N4 O40 P4 Si W12 -","- C104 H92 N4 O40 P4 Si W12 -","1","1","","Yonesato, Kentaro; Watanabe, Yota; Pascual-Borràs, Magda; Errington, R. John; Yamaguchi, Kazuya; Suzuki, Kosuke","Synthesis of a Keggin-type polyoxoselenidotungstate <i>via</i> site-selective oxygen-to-selenium substitution.","Chemical science","2025","16","29","13183","13188","10.1039/d5sc03340c","","x-ray","0.71073","MoKα","","0.0419","0.0321","","","0.05","0.0518","","","","","","1.016","","","","has coordinates,has disorder","301534","2025-08-05","21:14:34",""
"1574881","13.76778","0.0001","14.64503","0.0001","17.18784","0.00013","68.0094","0.0007","68.5531","0.0007","89.6202","0.0006","2956.65","0.04","100","2","100","2","","","","","","","","8","P 1","P 1","1","","","","- C100 H86 N2 O28 P4 Se12 Si W12 -","- C100 H86 N2 O28 P4 Se12 Si W12 -","- C100 H86 N2 O28 P4 Se12 Si W12 -","1","1","","Yonesato, Kentaro; Watanabe, Yota; Pascual-Borràs, Magda; Errington, R. John; Yamaguchi, Kazuya; Suzuki, Kosuke","Synthesis of a Keggin-type polyoxoselenidotungstate <i>via</i> site-selective oxygen-to-selenium substitution.","Chemical science","2025","16","29","13183","13188","10.1039/d5sc03340c","","x-ray","0.413","synchrotron","","0.0234","0.0217","","","0.0568","0.0574","","","","","","1.041","","","","has coordinates,has disorder","301534","2025-08-05","21:14:35",""
"1574882","10.8763","0.0004","10.8816","0.0004","11.2207","0.0004","106.765","0.001","113.872","0.001","92.592","0.001","1142.7","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H20 N4 O12 U -","- C19 H20 N4 O12 U -","- C38 H40 N8 O24 U2 -","2","1","","Park, Kyoung Chul; Lim, Jaewoong; Thaggard, Grace C.; Maldeni Kankanamalage, Buddhima K. P.; Lehman-Andino, Ingrid; Liu, Yuan; Burrell, Jennii M.; Martin, Corey R.; Ta, An T.; Greytak, Andrew B.; Amoroso, Jake W.; DiPrete, David D.; Smith, Mark D.; Phillpot, Simon R.; Shustova, Natalia B.","Stimuli-responsive photoswitch-actinide binding: a match made in MOFs.","Chemical science","2025","16","31","14115","14126","10.1039/d5sc03171k","","x-ray","0.71073","MoKα","","0.0356","0.0332","","","0.0944","0.0952","","","","","","1.313","","","","has coordinates","302513","2025-10-06","07:45:33",""
"1574883","6.8431","0.0003","21.1213","0.0009","26.1977","0.0011","90","","90","","90","","3786.5","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H19 Cl N2 O5 -","- C20 H19 Cl N2 O5 -","- C160 H152 Cl8 N16 O40 -","8","1","","Park, Kyoung Chul; Lim, Jaewoong; Thaggard, Grace C.; Maldeni Kankanamalage, Buddhima K. P.; Lehman-Andino, Ingrid; Liu, Yuan; Burrell, Jennii M.; Martin, Corey R.; Ta, An T.; Greytak, Andrew B.; Amoroso, Jake W.; DiPrete, David D.; Smith, Mark D.; Phillpot, Simon R.; Shustova, Natalia B.","Stimuli-responsive photoswitch-actinide binding: a match made in MOFs.","Chemical science","2025","16","31","14115","14126","10.1039/d5sc03171k","","x-ray","0.71073","MoKα","","0.071","0.0532","","","0.106","0.1131","","","","","","1.095","","","","has coordinates","302513","2025-10-06","07:45:34",""
"1574884","9.6531","0.0005","14.4417","0.0006","9.9636","0.0005","90","","90","","90","","1389","0.12","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C17 H16 N2 O -","- C17 H16 N2 O -","- C68 H64 N8 O4 -","4","1","","Chen, Tian; Wang, Hao-Yang; Xu, Ronghua; Xu, Guangqing; Yang, He; Sun, Jiangtao; Chung, Lung Wa; Tang, Wenjun","Asymmetric intramolecular reductive coupling of bisimines templated by chiral diborons.","Chemical science","2025","16","29","13298","13305","10.1039/d5sc03633j","","","0.71073","MoKα","","0.07","0.0577","","","0.1479","0.1608","","","","","","1.025","","","","has coordinates","301528","2025-08-05","21:12:54",""
"1574885","4.9546","0.0001","15.547","0.0004","19.2131","0.0005","90","","90","","90","","1479.97","0.06","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 N2 O2 -","- C18 H18 N2 O2 -","- C72 H72 N8 O8 -","4","1","","Chen, Tian; Wang, Hao-Yang; Xu, Ronghua; Xu, Guangqing; Yang, He; Sun, Jiangtao; Chung, Lung Wa; Tang, Wenjun","Asymmetric intramolecular reductive coupling of bisimines templated by chiral diborons.","Chemical science","2025","16","29","13298","13305","10.1039/d5sc03633j","","","1.54178","CuKα","","0.0326","0.0298","","","0.0802","0.081","","","","","","1.017","","","","has coordinates","301528","2025-08-05","21:12:54",""
"1574886","5.1594","0.0004","15.095","0.0011","18.2386","0.0013","90","","90","","90","","1420.44","0.18","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H15 Br N2 O -","- C17 H15 Br N2 O -","- C68 H60 Br4 N8 O4 -","4","1","","Chen, Tian; Wang, Hao-Yang; Xu, Ronghua; Xu, Guangqing; Yang, He; Sun, Jiangtao; Chung, Lung Wa; Tang, Wenjun","Asymmetric intramolecular reductive coupling of bisimines templated by chiral diborons.","Chemical science","2025","16","29","13298","13305","10.1039/d5sc03633j","","","1.54184","CuKα","","0.0539","0.0409","","","0.1025","0.1215","","","","","","1.084","","","","has coordinates","301528","2025-08-05","21:12:54",""
"1574887","3.8447","0.0002","12.8869","0.0008","30.8271","0.0016","90","","92.189","0.002","90","","1526.25","0.15","110","","110","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H13 N3 O2 -","- C21 H13 N3 O2 -","- C84 H52 N12 O8 -","4","1","","Lal, Anu; Sureshan, Kana M.","Isomer-dependent reactivity in the solid state: topochemical [4 + 4] <i>vs.</i> [4 + 2] cycloaddition reactions.","Chemical science","2025","16","29","13496","13502","10.1039/d5sc02327k","","","0.71073","MoKα","","0.0452","0.0385","","","0.1054","0.1115","","","","","","1.039","","","","has coordinates","301532","2025-08-05","21:14:15",""
"1574888","8.2554","0.0016","9.4866","0.0017","10.2722","0.0019","81.063","0.007","86.002","0.007","73.425","0.007","761.4","0.2","296.15","","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H13 N3 O2 -","- C21 H13 N3 O2 -","- C42 H26 N6 O4 -","2","1","","Lal, Anu; Sureshan, Kana M.","Isomer-dependent reactivity in the solid state: topochemical [4 + 4] <i>vs.</i> [4 + 2] cycloaddition reactions.","Chemical science","2025","16","29","13496","13502","10.1039/d5sc02327k","","","0.71073","MoKα","","0.0971","0.0499","","","0.127","0.1589","","","","","","0.893","","","","has coordinates","301532","2025-08-05","21:14:15",""
"1574889","22.914","0.016","23.096","0.014","25.886","0.018","90","","90","","90","","13699","16","150","","150","","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C136 H120 Cl12 F12 K2 O16 P2 -","- C136 H120 Cl12 F12 K2 O16 P2 -","- C544 H480 Cl48 F48 K8 O64 P8 -","4","1","","Hu, Yaning; Li, Tong; Su, Taotao; Shi, Wudi; Yu, Yabing; Li, Beibei; Li, Meng-Hua; Zhang, Sheng; Xu, Yuan-Qing; Liu, Qi; Wu, Di; Xu, Youzhi","Crown ether-cycloparaphenylene hybrid multimacrocycles: insights into supramolecular gas sensing and biological potential.","Chemical science","2025","16","28","13115","13121","10.1039/d5sc03476k","","x-ray","1.54184","CuKα","","0.0964","0.0755","","","0.2048","0.2215","","","","","","1.031","","","","has coordinates","301536","2025-08-05","21:15:03",""
"1574890","21.9739","0.0014","21.8794","0.0013","27.0805","0.0016","90","","106.434","0.003","90","","12487.7","1.3","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C80 H73.5 O8 -","- C80 H73.5 O8 -","- C640 H588 O64 -","8","2","","Hu, Yaning; Li, Tong; Su, Taotao; Shi, Wudi; Yu, Yabing; Li, Beibei; Li, Meng-Hua; Zhang, Sheng; Xu, Yuan-Qing; Liu, Qi; Wu, Di; Xu, Youzhi","Crown ether-cycloparaphenylene hybrid multimacrocycles: insights into supramolecular gas sensing and biological potential.","Chemical science","2025","16","28","13115","13121","10.1039/d5sc03476k","","x-ray","1.54184","CuKα","","0.1527","0.114","","","0.3217","0.3659","","","","","","1.256","","","","has coordinates,has disorder","301536","2025-08-05","21:15:04",""
"1574891","10.0108","0.0004","10.7763","0.0004","12.8755","0.0005","65.86","0.002","70.072","0.002","86.083","0.002","1187.54","0.08","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C51.2 H38 F8.4 N2 O3.6 P2.8 S3.2 -","- C51.2 H38 F8.4 N2 O3.6 P2.8 S3.2 -","- C51.2 H38 F8.4 N2 O3.6 P2.8 S3.2 -","1","0.5","","Wu, Zixiang; Anderson, Christopher L.; Zhang, Teng-Shuo; Liu, Yi; Fu, Hongbing; Wang, Long","Side-chain ionization enables ultrafast intramolecular singlet fission in the azaquinodimethane skeleton.","Chemical science","2025","16","29","13374","13381","10.1039/d5sc01980j","","","0.7749","synchrotron","","0.0909","0.0653","","","0.1355","0.1507","","","","","","1.069","","","","has coordinates,has disorder","301530","2025-08-05","21:13:40",""
"1574892","21.251","0.0011","13.6392","0.0007","19.481","0.001","90","","101.806","0.003","90","","5527.1","0.5","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C59.44 H42 F7.68 N2 O4.32 P2.56 S5.44 -","- C59.44 H42 F7.68 N2 O4.32 P2.56 S5.44 -","- C237.76 H168 F30.72 N8 O17.28 P10.24 S21.76 -","4","0.5","","Wu, Zixiang; Anderson, Christopher L.; Zhang, Teng-Shuo; Liu, Yi; Fu, Hongbing; Wang, Long","Side-chain ionization enables ultrafast intramolecular singlet fission in the azaquinodimethane skeleton.","Chemical science","2025","16","29","13374","13381","10.1039/d5sc01980j","","","0.7749","synchrotron","","0.0545","0.0442","","","0.1065","0.1139","","","","","","1.057","","","","has coordinates,has disorder","301530","2025-08-05","21:13:40",""
"1574893","9.8994","0.0007","10.0636","0.0007","22.7766","0.0017","93.244","0.003","100.968","0.003","95.729","0.003","2209.9","0.3","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C4 H4 Br Cl3 F39 O12 S3 Sb Te6 -","- C4 H4 Br Cl3 F39 O12 S3 Sb Te6 -","- C8 H8 Br2 Cl6 F78 O24 S6 Sb2 Te12 -","2","1","","Fischer, Lukas; Lee, Michael H.; Wiesner, Anja; Müller, Carsten; Riedel, Sebastian","On the synthesis and structure of reactive halonium ions.","Chemical science","2025","16","29","13229","13234","10.1039/d5sc03756e","","x-ray","0.71073","MoKα","","0.0364","0.0289","","","0.0549","0.0569","","","","","","1.136","","","","has coordinates","301524","2025-08-05","21:11:12",""
"1574894","13.8891","0.001","13.8891","0.001","13.2594","0.0014","90","","90","","120","","2215.1","0.3","100","2","100","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C4 H9 F30 O6 Sb Te6 -","- C4 H9 F30 O6 Sb Te6 -","- C12 H27 F90 O18 Sb3 Te18 -","3","0.333333","","Fischer, Lukas; Lee, Michael H.; Wiesner, Anja; Müller, Carsten; Riedel, Sebastian","On the synthesis and structure of reactive halonium ions.","Chemical science","2025","16","29","13229","13234","10.1039/d5sc03756e","","x-ray","0.71073","MoKα","","0.0338","0.0278","","","0.0524","0.0556","","","","","","1.078","","","","has coordinates","301524","2025-08-05","21:11:13",""
"1574895","9.9568","0.0007","10.0522","0.0006","10.7376","0.0008","92.26","0.003","114.527","0.003","119.573","0.002","808.81","0.1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C4 H6 F34 I O6 Sb Te6 -","- C4 H6 F34 I O6 Sb Te6 -","- C4 H6 F34 I O6 Sb Te6 -","1","0.5","","Fischer, Lukas; Lee, Michael H.; Wiesner, Anja; Müller, Carsten; Riedel, Sebastian","On the synthesis and structure of reactive halonium ions.","Chemical science","2025","16","29","13229","13234","10.1039/d5sc03756e","","x-ray","0.71073","MoKα","","0.0342","0.0316","","","0.0668","0.0685","","","","","","1.085","","","","has coordinates,has disorder","301524","2025-08-05","21:11:13",""
"1574896","9.8884","0.0008","10.0411","0.0008","22.687","0.002","93.5","0.004","100.671","0.003","95.798","0.003","2195","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C4 H4 Cl4 F39 O12 S3 Sb Te6 -","- C4 H4 Cl4 F39 O12 S3 Sb Te6 -","- C8 H8 Cl8 F78 O24 S6 Sb2 Te12 -","2","1","","Fischer, Lukas; Lee, Michael H.; Wiesner, Anja; Müller, Carsten; Riedel, Sebastian","On the synthesis and structure of reactive halonium ions.","Chemical science","2025","16","29","13229","13234","10.1039/d5sc03756e","","x-ray","0.71073","MoKα","","0.0404","0.0368","","","0.0879","0.0899","","","","","","1.187","","","","has coordinates","301524","2025-08-05","21:11:13",""
"1574897","12.2416","0.0001","14.7054","0.0001","22.9539","0.0002","90","","90","","90","","4132.11","0.06","100.02","0.1","100.02","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H23 F2 O2 P -","- C24 H23 F2 O2 P -","- C192 H184 F16 O16 P8 -","8","1","","Kurosawa, Miki B.; Shimoyama, Shuhei; Tanaka, Hiroki; Yamaguchi, Junichiro","Difluoroenol phosphinates as difluoroenolate surrogates: synthesis and applications in defluorination and deoxygenative coupling.","Chemical science","2025","16","29","13390","13400","10.1039/d5sc03915k","","x-ray","1.54184","CuKα","","0.0334","0.0319","","","0.0811","0.0822","","","","","","1.051","","","","has coordinates","301533","2025-08-05","21:14:22",""
"1574914","9.6606","0.0004","15.0395","0.0007","18.49","0.0009","84.896","0.004","89.124","0.004","87.16","0.004","2672.3","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H16 F8 N2 -","- C35 H16 F8 N2 -","- C140 H64 F32 N8 -","4","2","","Hu, Wenbo; Li, Heng; Yuan, Bingxin","Perfluoroarene-arene interaction cocrystal of perfluorocarbazoles toward IEF-enhanced photocatalysis.","Chemical science","2025","16","30","13794","13806","10.1039/d5sc02837j","","x-ray","1.54184","CuKα","","0.0949","0.0614","","","0.1744","0.2065","","","","","","1.026","","","","has coordinates","301550","2025-08-05","21:20:19",""
"1574915","8.7918","0.0009","9.1879","0.0011","10.5298","0.001","72.342","0.009","70.631","0.009","67.564","0.01","726.3","0.15","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H4 F8 N2 -","- C17 H4 F8 N2 -","- C34 H8 F16 N4 -","2","1","","Hu, Wenbo; Li, Heng; Yuan, Bingxin","Perfluoroarene-arene interaction cocrystal of perfluorocarbazoles toward IEF-enhanced photocatalysis.","Chemical science","2025","16","30","13794","13806","10.1039/d5sc02837j","","x-ray","1.54184","CuKα","","0.0632","0.0479","","","0.1336","0.1522","","","","","","1.054","","","","has coordinates","301550","2025-08-05","21:20:20",""
"1574916","9.9143","0.001","10.2042","0.001","11.3792","0.0012","80.453","0.008","70.664","0.01","87.322","0.008","1071.2","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H10 F8 N2 -","- C27 H10 F8 N2 -","- C54 H20 F16 N4 -","2","1","","Hu, Wenbo; Li, Heng; Yuan, Bingxin","Perfluoroarene-arene interaction cocrystal of perfluorocarbazoles toward IEF-enhanced photocatalysis.","Chemical science","2025","16","30","13794","13806","10.1039/d5sc02837j","","x-ray","1.54184","CuKα","","0.084","0.0562","","","0.1577","0.189","","","","","","1.024","","","","has coordinates,has disorder","301550","2025-08-05","21:20:20",""
"1574917","15.6247","0.001","13.0336","0.0006","8.6155","0.0006","90","","115.441","0.008","90","","1584.4","0.2","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C18 F13 N -","- C18 F13 N -","- C72 F52 N4 -","4","0.5","","Hu, Wenbo; Li, Heng; Yuan, Bingxin","Perfluoroarene-arene interaction cocrystal of perfluorocarbazoles toward IEF-enhanced photocatalysis.","Chemical science","2025","16","30","13794","13806","10.1039/d5sc02837j","","x-ray","1.54184","CuKα","","0.0549","0.0429","","","0.1174","0.1337","","","","","","1.039","","","","has coordinates","301550","2025-08-05","21:20:20",""
"1574918","18.4815","0.0007","11.2751","0.0004","21.751","0.0009","90","","90","","90","","4532.5","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C29 H13 F8 N O -","- C29 H13 F8 N O -","- C232 H104 F64 N8 O8 -","8","1","","Hu, Wenbo; Li, Heng; Yuan, Bingxin","Perfluoroarene-arene interaction cocrystal of perfluorocarbazoles toward IEF-enhanced photocatalysis.","Chemical science","2025","16","30","13794","13806","10.1039/d5sc02837j","","x-ray","1.54184","CuKα","","0.0639","0.0463","","","0.1276","0.1432","","","","","","1.028","","","","has coordinates","301550","2025-08-05","21:20:20",""
"1574919","8.5802","0.0005","9.2837","0.0003","18.2358","0.0003","97.408","0.002","98.221","0.003","105.005","0.004","1367.56","0.1","293","4","293","4","","","","","","","","5","P -1","-P 1","2","","","","- C26 H24 Cl5 In N2 -","- C26 H24 Cl5 In N2 -","- C52 H48 Cl10 In2 N4 -","2","1","","Chen, Chudong; Li, Ziquan; Xiao, Yonghong; Ye, Chenghao; Wei, Jianwu; Zeng, Ruosheng; Pang, Qi; Luo, Binbin","Photosalient effect and reversible photochromic photoluminescence driven by cascade [2 + 2] cycloaddition reaction and water adsorption in a 0D hybrid metal halide.","Chemical science","2025","16","30","13731","13740","10.1039/d5sc03344f","","x-ray","1.54184","CuKα","","0.0367","0.0325","","","0.0861","0.0882","","","","","","1.082","","","","has coordinates,has disorder","301553","2025-08-05","21:20:57",""
"1574920","10.8192","0.0004","11.7903","0.0005","11.9138","0.0005","99.72","0.004","92.935","0.003","98.493","0.003","1476.98","0.11","199.99","0.1","199.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C26 H26 Cl5 In N2 O -","- C26 H26 Cl5 In N2 O -","- C52 H52 Cl10 In2 N4 O2 -","2","1","","Chen, Chudong; Li, Ziquan; Xiao, Yonghong; Ye, Chenghao; Wei, Jianwu; Zeng, Ruosheng; Pang, Qi; Luo, Binbin","Photosalient effect and reversible photochromic photoluminescence driven by cascade [2 + 2] cycloaddition reaction and water adsorption in a 0D hybrid metal halide.","Chemical science","2025","16","30","13731","13740","10.1039/d5sc03344f","","x-ray","1.54184","CuKα","","0.0894","0.0801","","","0.2314","0.242","","","","","","1.03","","","","has coordinates,has disorder","301553","2025-08-05","21:20:58",""
"1574921","10.8121","0.0003","15.0764","0.0005","18.006","0.0004","90.349","0.002","91.409","0.002","95.489","0.002","2920.67","0.14","200","0.1","200","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C52 H50 Cl10 In2 N4 O -","- C52 H50 Cl10 In2 N4 O -","- C104 H100 Cl20 In4 N8 O2 -","2","1","","Chen, Chudong; Li, Ziquan; Xiao, Yonghong; Ye, Chenghao; Wei, Jianwu; Zeng, Ruosheng; Pang, Qi; Luo, Binbin","Photosalient effect and reversible photochromic photoluminescence driven by cascade [2 + 2] cycloaddition reaction and water adsorption in a 0D hybrid metal halide.","Chemical science","2025","16","30","13731","13740","10.1039/d5sc03344f","","x-ray","1.54184","CuKα","","0.102","0.0641","","","0.1612","0.1738","","","","","","1.059","","","","has coordinates,has disorder","301553","2025-08-05","21:20:58",""
"1574937","17.9573","0.0003","14.299","0.0002","14.6854","0.0002","90","","90","","90","","3770.79","0.1","100","","100","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C38 H33 Mn2 N10 O5 Re -","- C38 H33 Mn2 N10 O5 Re -","- C152 H132 Mn8 N40 O20 Re4 -","4","1","","Song, Yanqing; Tsuji, Yuta; Sugimoto, Kunihisa; Kikuchi, Takashi; Shi, Yuxin; Murakami, Yusuke; Hiramatsu, Kotaro; Le Ouay, Benjamin; Ohba, Masaaki; Ohtani, Ryo","A ferroelectric proton conductor with colossal polarization induced by in-plane symmetry breaking in a two-dimensional coordination polymer.","Chemical science","2025","16","29","13413","13421","10.1039/d4sc08700c","","","0.4139","synchrotron","","0.0457","0.0413","","","0.1174","0.1216","","","","","","1.083","","","","has coordinates","301529","2025-08-05","21:13:27",""
"1574938","14.4061","0.0003","14.4061","0.0003","18.3403","0.0008","90","","90","","90","","3806.3","0.2","300","","300","","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","","","","- C38 H28 Mn2 N10 O4 Re -","- C38 H28 Mn2 N10 O4 Re -","- C152 H112 Mn8 N40 O16 Re4 -","4","0.25","","Song, Yanqing; Tsuji, Yuta; Sugimoto, Kunihisa; Kikuchi, Takashi; Shi, Yuxin; Murakami, Yusuke; Hiramatsu, Kotaro; Le Ouay, Benjamin; Ohba, Masaaki; Ohtani, Ryo","A ferroelectric proton conductor with colossal polarization induced by in-plane symmetry breaking in a two-dimensional coordination polymer.","Chemical science","2025","16","29","13413","13421","10.1039/d4sc08700c","","","0.71073","MoKα","","0.0721","0.0572","","","0.1098","0.1135","","","","","","1.359","","","","has coordinates","301529","2025-08-05","21:13:29",""
"1574939","14.4843","0.0004","14.4843","0.0004","18.3887","0.0009","90","","90","","90","","3857.9","0.2","420","","420","","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","","","","- C38 H28 Mn2 N10 O4 Re -","- C38 H28 Mn2 N10 O4 Re -","- C152 H112 Mn8 N40 O16 Re4 -","4","0.25","","Song, Yanqing; Tsuji, Yuta; Sugimoto, Kunihisa; Kikuchi, Takashi; Shi, Yuxin; Murakami, Yusuke; Hiramatsu, Kotaro; Le Ouay, Benjamin; Ohba, Masaaki; Ohtani, Ryo","A ferroelectric proton conductor with colossal polarization induced by in-plane symmetry breaking in a two-dimensional coordination polymer.","Chemical science","2025","16","29","13413","13421","10.1039/d4sc08700c","","","0.71073","MoKα","","0.0663","0.0439","","","0.1035","0.1132","","","","","","1.126","","","","has coordinates","301529","2025-08-05","21:13:29",""
"1574940","14.3742","0.0003","14.3742","0.0003","18.1157","0.0006","90","","90","","90","","3743.02","0.17","170","","170","","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C38 H28 Mn2 N10 O4 Re -","- C38 H28 Mn2 N10 O4 Re -","- C152 H112 Mn8 N40 O16 Re4 -","4","0.5","","Song, Yanqing; Tsuji, Yuta; Sugimoto, Kunihisa; Kikuchi, Takashi; Shi, Yuxin; Murakami, Yusuke; Hiramatsu, Kotaro; Le Ouay, Benjamin; Ohba, Masaaki; Ohtani, Ryo","A ferroelectric proton conductor with colossal polarization induced by in-plane symmetry breaking in a two-dimensional coordination polymer.","Chemical science","2025","16","29","13413","13421","10.1039/d4sc08700c","","","0.71073","MoKα","","0.0626","0.0574","","","0.1446","0.1469","","","","","","1.138","","","","has coordinates,has disorder","301529","2025-08-05","21:13:29",""
"1574941","14.4601","0.0004","14.4601","0.0004","18.3914","0.0009","90","","90","","90","","3845.5","0.2","400","","400","","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","","","","- C38 H28 Mn2 N10 O4 Re -","- C38 H28 Mn2 N10 O4 Re -","- C152 H112 Mn8 N40 O16 Re4 -","4","0.25","","Song, Yanqing; Tsuji, Yuta; Sugimoto, Kunihisa; Kikuchi, Takashi; Shi, Yuxin; Murakami, Yusuke; Hiramatsu, Kotaro; Le Ouay, Benjamin; Ohba, Masaaki; Ohtani, Ryo","A ferroelectric proton conductor with colossal polarization induced by in-plane symmetry breaking in a two-dimensional coordination polymer.","Chemical science","2025","16","29","13413","13421","10.1039/d4sc08700c","","","0.71073","MoKα","","0.0672","0.0405","","","0.0878","0.0972","","","","","","1.113","","","","has coordinates","301529","2025-08-05","21:13:29",""
"1574942","14.4217","0.0004","14.4217","0.0004","18.3812","0.0009","90","","90","","90","","3823","0.2","330","","330","","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","","","","- C38 H28 Mn2 N10 O4 Re -","- C38 H28 Mn2 N10 O4 Re -","- C152 H112 Mn8 N40 O16 Re4 -","4","0.25","","Song, Yanqing; Tsuji, Yuta; Sugimoto, Kunihisa; Kikuchi, Takashi; Shi, Yuxin; Murakami, Yusuke; Hiramatsu, Kotaro; Le Ouay, Benjamin; Ohba, Masaaki; Ohtani, Ryo","A ferroelectric proton conductor with colossal polarization induced by in-plane symmetry breaking in a two-dimensional coordination polymer.","Chemical science","2025","16","29","13413","13421","10.1039/d4sc08700c","","","0.71073","MoKα","","0.0594","0.0392","","","0.084","0.0904","","","","","","1.146","","","","has coordinates","301529","2025-08-05","21:13:29",""
"1574943","14.3719","0.0003","14.3719","0.0003","18.0827","0.0006","90","","90","","90","","3735.01","0.17","150","","150","","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C38 H26 Mn2 N10 O4 Re -","- C38 H26 Mn2 N10 O4 Re -","- C152 H104 Mn8 N40 O16 Re4 -","4","0.5","","Song, Yanqing; Tsuji, Yuta; Sugimoto, Kunihisa; Kikuchi, Takashi; Shi, Yuxin; Murakami, Yusuke; Hiramatsu, Kotaro; Le Ouay, Benjamin; Ohba, Masaaki; Ohtani, Ryo","A ferroelectric proton conductor with colossal polarization induced by in-plane symmetry breaking in a two-dimensional coordination polymer.","Chemical science","2025","16","29","13413","13421","10.1039/d4sc08700c","","","0.71073","MoKα","","0.0639","0.059","","","0.1482","0.1506","","","","","","1.131","","","","has coordinates,has disorder","301529","2025-08-05","21:13:29",""
"1574944","14.428","0.0003","14.428","0.0003","18.3832","0.0009","90","","90","","90","","3826.8","0.2","350","","350","","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","","","","- C38 H28 Mn2 N10 O4 Re -","- C38 H28 Mn2 N10 O4 Re -","- C152 H112 Mn8 N40 O16 Re4 -","4","0.25","","Song, Yanqing; Tsuji, Yuta; Sugimoto, Kunihisa; Kikuchi, Takashi; Shi, Yuxin; Murakami, Yusuke; Hiramatsu, Kotaro; Le Ouay, Benjamin; Ohba, Masaaki; Ohtani, Ryo","A ferroelectric proton conductor with colossal polarization induced by in-plane symmetry breaking in a two-dimensional coordination polymer.","Chemical science","2025","16","29","13413","13421","10.1039/d4sc08700c","","","0.71073","MoKα","","0.0598","0.038","","","0.0843","0.0916","","","","","","1.112","","","","has coordinates","301529","2025-08-05","21:13:29",""
"1574945","14.3963","0.0003","14.3963","0.0003","18.2533","0.0007","90","","90","","90","","3783.06","0.18","250","","250","","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C38 H28 Mn2 N10 O4 Re -","- C38 H28 Mn2 N10 O4 Re -","- C152 H112 Mn8 N40 O16 Re4 -","4","0.5","","Song, Yanqing; Tsuji, Yuta; Sugimoto, Kunihisa; Kikuchi, Takashi; Shi, Yuxin; Murakami, Yusuke; Hiramatsu, Kotaro; Le Ouay, Benjamin; Ohba, Masaaki; Ohtani, Ryo","A ferroelectric proton conductor with colossal polarization induced by in-plane symmetry breaking in a two-dimensional coordination polymer.","Chemical science","2025","16","29","13413","13421","10.1039/d4sc08700c","","","0.71073","MoKα","","0.0546","0.045","","","0.1069","0.1106","","","","","","1.178","","","","has coordinates,has disorder","301529","2025-08-05","21:13:29",""
"1574946","14.3992","0.0003","14.3992","0.0003","18.2847","0.0007","90","","90","","90","","3791.09","0.18","270","","270","","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C38 H26 Mn2 N10 O4 Re -","- C38 H26 Mn2 N10 O4 Re -","- C152 H104 Mn8 N40 O16 Re4 -","4","0.5","","Song, Yanqing; Tsuji, Yuta; Sugimoto, Kunihisa; Kikuchi, Takashi; Shi, Yuxin; Murakami, Yusuke; Hiramatsu, Kotaro; Le Ouay, Benjamin; Ohba, Masaaki; Ohtani, Ryo","A ferroelectric proton conductor with colossal polarization induced by in-plane symmetry breaking in a two-dimensional coordination polymer.","Chemical science","2025","16","29","13413","13421","10.1039/d4sc08700c","","","0.71073","MoKα","","0.0538","0.0422","","","0.0967","0.1008","","","","","","1.183","","","","has coordinates,has disorder","301529","2025-08-05","21:13:29",""
"1574947","14.3878","0.0003","14.3878","0.0003","18.169","0.0006","90","","90","","90","","3761.14","0.17","200","","200","","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C38 H28 Mn2 N10 O4 Re -","- C38 H28 Mn2 N10 O4 Re -","- C152 H112 Mn8 N40 O16 Re4 -","4","0.5","","Song, Yanqing; Tsuji, Yuta; Sugimoto, Kunihisa; Kikuchi, Takashi; Shi, Yuxin; Murakami, Yusuke; Hiramatsu, Kotaro; Le Ouay, Benjamin; Ohba, Masaaki; Ohtani, Ryo","A ferroelectric proton conductor with colossal polarization induced by in-plane symmetry breaking in a two-dimensional coordination polymer.","Chemical science","2025","16","29","13413","13421","10.1039/d4sc08700c","","","0.71073","MoKα","","0.0606","0.054","","","0.1406","0.1439","","","","","","1.124","","","","has coordinates,has disorder","301529","2025-08-05","21:13:29",""
"1574948","8.718","0.0004","18.4723","0.0008","16.8326","0.0006","90","","91.306","0.002","90","","2710","0.2","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H32 Cl3 F6 N P2 Ru -","- C21 H32 Cl3 F6 N P2 Ru -","- C84 H128 Cl12 F24 N4 P8 Ru4 -","4","1","","Melnikov, Stanislav; Hwang, Donghun; Gabbert, Philip; Park, Bohyun; Lutz, Martin; Baik, Mu-Hyun; Broere, Daniël L J","Ruthenium-mediated nucleophilic aromatic substitution of hydrogen in benzene.","Chemical science","2025","16","29","13422","13434","10.1039/d5sc02090e","","","0.71073","MoKα","","0.0326","0.0238","","","0.0552","0.0568","","","","","","1.096","","","","has coordinates,has disorder","301525","2025-08-05","21:11:46",""
"1574949","17.0703","0.0003","22.3344","0.0005","16.3747","0.0004","90","","98.02","0.001","90","","6181.9","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H48 Cl2 N2 P2 Ru -","- C28 H48 Cl2 N2 P2 Ru -","- C224 H384 Cl16 N16 P16 Ru8 -","8","2","","Melnikov, Stanislav; Hwang, Donghun; Gabbert, Philip; Park, Bohyun; Lutz, Martin; Baik, Mu-Hyun; Broere, Daniël L J","Ruthenium-mediated nucleophilic aromatic substitution of hydrogen in benzene.","Chemical science","2025","16","29","13422","13434","10.1039/d5sc02090e","","","0.71073","MoKα","","0.0317","0.023","","","0.0542","0.0566","","","","","","1.035","","","","has coordinates","301525","2025-08-05","21:11:48",""
"1574950","13.9298","0.0004","16.2626","0.0004","13.8275","0.0004","90","","112.534","0.002","90","","2893.26","0.14","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H47 N2 P Ru Si2 -","- C26 H47 N2 P Ru Si2 -","- C104 H188 N8 P4 Ru4 Si8 -","4","1","","Melnikov, Stanislav; Hwang, Donghun; Gabbert, Philip; Park, Bohyun; Lutz, Martin; Baik, Mu-Hyun; Broere, Daniël L J","Ruthenium-mediated nucleophilic aromatic substitution of hydrogen in benzene.","Chemical science","2025","16","29","13422","13434","10.1039/d5sc02090e","","","0.71073","MoKα","","0.0217","0.02","","","0.0507","0.0516","","","","","","1.045","","","","has coordinates","301525","2025-08-05","21:11:48",""
"1574951","15.6389","0.0004","13.6916","0.0005","23.9526","0.0009","90","","90","","90","","5128.8","0.3","153","","153","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C79 H44 N9 O P -","- C79 H44 N9 O P -","- C316 H176 N36 O4 P4 -","4","0.5","","Röthel, Maike B; Franzen, Jonas H.; Leitner, Daniel; Hofer, Thomas S.; Seidl, Michael; Dielmann, Fabian","Phosphonium fullerides: isolable zwitterionic adducts of a phosphine with C<sub>60</sub>.","Chemical science","2025","16","29","13189","13195","10.1039/d5sc00367a","","","0.71073","MoKα","","0.0725","0.0553","","","0.153","0.1673","","","","","","1.034","","","","has coordinates,has disorder","301527","2025-08-05","21:12:44",""
"1574958","10.4696","0.0007","10.7334","0.0007","19.3518","0.0013","91.039","0.002","104.121","0.002","105.729","0.002","2021.7","0.2","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C75 H130 Al2 N6 P2 Si2 -","- C75 H130 Al2 N6 P2 Si2 -","- C75 H130 Al2 N6 P2 Si2 -","1","0.5","","Xu, Huihui; León Baeza, José Miguel; Baceiredo, Antoine; Rojas Guerrero, René Segundo; Saffon-Merceron, Nathalie; Branchadell, Vicenç; Kato, Tsuyoshi","Aluminacyclopropene-phosphine complex: a carbene-exchange reagent.","Chemical science","2025","16","31","14225","14230","10.1039/d5sc03846d","","","0.71073","MoKα","","0.0877","0.0572","","","0.1532","0.1758","","","","","","1.021","","","","has coordinates,has disorder","302511","2025-10-06","07:44:58",""
"1574959","24.8337","0.0012","10.5705","0.0005","25.3214","0.0012","90","","109.228","0.002","90","","6276.2","0.5","193","2","193","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C62 H99 Al Cl Cu N5 P Si -","- C62 H99 Al Cl Cu N5 P Si -","- C248 H396 Al4 Cl4 Cu4 N20 P4 Si4 -","4","1","","Xu, Huihui; León Baeza, José Miguel; Baceiredo, Antoine; Rojas Guerrero, René Segundo; Saffon-Merceron, Nathalie; Branchadell, Vicenç; Kato, Tsuyoshi","Aluminacyclopropene-phosphine complex: a carbene-exchange reagent.","Chemical science","2025","16","31","14225","14230","10.1039/d5sc03846d","","x-ray","0.71073","MoKα","","0.092","0.0606","","","0.1494","0.1714","","","","","","1.046","","","","has coordinates,has disorder","302511","2025-10-06","07:44:58",""
"1574960","13.896","0.0014","17.3957","0.0016","19.5978","0.0017","90","","104.351","0.003","90","","4589.6","0.7","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H79 Al N5 P Si -","- C46 H79 Al N5 P Si -","- C184 H316 Al4 N20 P4 Si4 -","4","1","","Xu, Huihui; León Baeza, José Miguel; Baceiredo, Antoine; Rojas Guerrero, René Segundo; Saffon-Merceron, Nathalie; Branchadell, Vicenç; Kato, Tsuyoshi","Aluminacyclopropene-phosphine complex: a carbene-exchange reagent.","Chemical science","2025","16","31","14225","14230","10.1039/d5sc03846d","","","0.71073","MoKα","","0.23","0.1028","","","0.2089","0.2851","","","","","","1.035","","","","has coordinates,has disorder","302511","2025-10-06","07:44:58",""
"1574961","12.659","0.001","17.5105","0.0012","20.6407","0.0015","90","","90.19","0.003","90","","4575.3","0.6","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H79 Al N5 P Si -","- C46 H79 Al N5 P Si -","- C184 H316 Al4 N20 P4 Si4 -","4","1","","Xu, Huihui; León Baeza, José Miguel; Baceiredo, Antoine; Rojas Guerrero, René Segundo; Saffon-Merceron, Nathalie; Branchadell, Vicenç; Kato, Tsuyoshi","Aluminacyclopropene-phosphine complex: a carbene-exchange reagent.","Chemical science","2025","16","31","14225","14230","10.1039/d5sc03846d","","","0.71073","MoKα","","0.0799","0.0458","","","0.1026","0.1197","","","","","","1.026","","","","has coordinates","302511","2025-10-06","07:44:58",""
"1574962","12.0584","0.0009","13.9968","0.0009","18.0629","0.0013","90.561","0.002","92.765","0.002","98.516","0.002","3011.1","0.4","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C62 H101 Al N5 O P Si -","- C62 H101 Al N5 O P Si -","- C124 H202 Al2 N10 O2 P2 Si2 -","2","1","","Xu, Huihui; León Baeza, José Miguel; Baceiredo, Antoine; Rojas Guerrero, René Segundo; Saffon-Merceron, Nathalie; Branchadell, Vicenç; Kato, Tsuyoshi","Aluminacyclopropene-phosphine complex: a carbene-exchange reagent.","Chemical science","2025","16","31","14225","14230","10.1039/d5sc03846d","","x-ray","0.71073","MoKα","","0.1175","0.0661","","","0.1736","0.2024","","","","","","1.047","","","","has coordinates,has disorder","302511","2025-10-06","07:44:58",""
"1574963","15.9863","0.0009","17.6296","0.001","18.6567","0.0011","90","","95.958","0.002","90","","5229.7","0.5","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H87 Al N5 P Si -","- C50 H87 Al N5 P Si -","- C200 H348 Al4 N20 P4 Si4 -","4","1","","Xu, Huihui; León Baeza, José Miguel; Baceiredo, Antoine; Rojas Guerrero, René Segundo; Saffon-Merceron, Nathalie; Branchadell, Vicenç; Kato, Tsuyoshi","Aluminacyclopropene-phosphine complex: a carbene-exchange reagent.","Chemical science","2025","16","31","14225","14230","10.1039/d5sc03846d","","","0.71073","MoKα","","0.0922","0.0533","","","0.1247","0.1462","","","","","","1.012","","","","has coordinates","302511","2025-10-06","07:44:58",""
"1574964","12.1189","0.0012","21.9059","0.0016","18.1582","0.0017","90","","100.85","0.004","90","","4734.4","0.7","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H79 Al N5 P Si -","- C46 H79 Al N5 P Si -","- C184 H316 Al4 N20 P4 Si4 -","4","1","","Xu, Huihui; León Baeza, José Miguel; Baceiredo, Antoine; Rojas Guerrero, René Segundo; Saffon-Merceron, Nathalie; Branchadell, Vicenç; Kato, Tsuyoshi","Aluminacyclopropene-phosphine complex: a carbene-exchange reagent.","Chemical science","2025","16","31","14225","14230","10.1039/d5sc03846d","","","0.71073","MoKα","","0.0505","0.0361","","","0.0916","0.1013","","","","","","1.012","","","","has coordinates","302511","2025-10-06","07:44:58",""
"1574965","16.06","0.003","9.6579","0.0015","22.092","0.004","90","","91.67","0.005","90","","3425.1","1","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C60 H104 Cu2 N6 Se2 Si6 -","- C60 H104 Cu2 N6 Se2 Si6 -","- C120 H208 Cu4 N12 Se4 Si12 -","2","0.5","","Ghosh, Moushakhi; Gaurav, Kumar; Panwaria, Prakash; Panday, Rishukumar; Tothadi, Srinu; Khan, Shabana","Driving diverse bond functionalisation with <i>N</i>-heterocyclic silylene-coinage metal-aryl complexes.","Chemical science","2025","16","32","14518","14533","10.1039/d5sc00879d","","","0.71073","MoKα","","0.0386","0.0285","","","0.0624","0.0671","","","","","","1.068","","","","has coordinates","302489","2025-10-06","07:36:57",""
"1574966","10.836","0.003","11.503","0.003","11.911","0.003","100.995","0.007","101.007","0.008","99.443","0.007","1399.3","0.6","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C56 H86 Cu2 N4 O2 Si2 -","- C56 H86 Cu2 N4 O2 Si2 -","- C56 H86 Cu2 N4 O2 Si2 -","1","0.5","","Ghosh, Moushakhi; Gaurav, Kumar; Panwaria, Prakash; Panday, Rishukumar; Tothadi, Srinu; Khan, Shabana","Driving diverse bond functionalisation with <i>N</i>-heterocyclic silylene-coinage metal-aryl complexes.","Chemical science","2025","16","32","14518","14533","10.1039/d5sc00879d","","","0.71073","MoKα","","0.1287","0.0868","","","0.2066","0.2342","","","","","","1.03","","","","has coordinates","302489","2025-10-06","07:36:58",""
"1574967","10.839","0.002","18.764","0.004","17.165","0.004","90","","91.861","0.007","90","","3489.2","1.3","296.15","","296.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C57.5 H94 B2 Cu2 N6 O4 Si6 -","- C54 H90 B2 Cu2 N6 O4 Si6 -","- C108 H180 B4 Cu4 N12 O8 Si12 -","2","0.5","","Ghosh, Moushakhi; Gaurav, Kumar; Panwaria, Prakash; Panday, Rishukumar; Tothadi, Srinu; Khan, Shabana","Driving diverse bond functionalisation with <i>N</i>-heterocyclic silylene-coinage metal-aryl complexes.","Chemical science","2025","16","32","14518","14533","10.1039/d5sc00879d","","","0.71073","MoKα","","0.2414","0.1016","","","0.1711","0.2244","","","","","","0.997","","","","has coordinates,has disorder","302489","2025-10-06","07:36:58",""
"1574968","10.4355","0.001","27.531","0.003","13.1929","0.0011","90","","103.102","0.002","90","","3691.6","0.6","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C66 H102 Ag2 N6 P2 Si6 -","- C66 H102 Ag2 N6 P2 Si6 -","- C132 H204 Ag4 N12 P4 Si12 -","2","0.5","","Ghosh, Moushakhi; Gaurav, Kumar; Panwaria, Prakash; Panday, Rishukumar; Tothadi, Srinu; Khan, Shabana","Driving diverse bond functionalisation with <i>N</i>-heterocyclic silylene-coinage metal-aryl complexes.","Chemical science","2025","16","32","14518","14533","10.1039/d5sc00879d","","","0.71073","MoKα","","0.0676","0.0616","","","0.1714","0.1752","","","","","","1.452","","","","has coordinates","302489","2025-10-06","07:36:59",""
"1574969","9.8038","0.0008","25.541","0.0017","14.7234","0.0011","90","","98.888","0.002","90","","3642.5","0.5","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C60 H104 Ag2 N6 Se2 Si6 -","- C60 H104 Ag2 N6 Se2 Si6 -","- C120 H208 Ag4 N12 Se4 Si12 -","2","0.5","","Ghosh, Moushakhi; Gaurav, Kumar; Panwaria, Prakash; Panday, Rishukumar; Tothadi, Srinu; Khan, Shabana","Driving diverse bond functionalisation with <i>N</i>-heterocyclic silylene-coinage metal-aryl complexes.","Chemical science","2025","16","32","14518","14533","10.1039/d5sc00879d","","","0.71073","MoKα","","0.1493","0.063","","","0.1182","0.1451","","","","","","1.043","","","","has coordinates","302489","2025-10-06","07:36:59",""
"1574970","10.0668","0.0017","12.265","0.002","19.889","0.004","78.55","0.005","77.056","0.005","65.83","0.004","2167.7","0.7","296","","296","","","","","","","","","5","P -1","-P 1","2","","","","- C39 H63 Ag2 N3 Si3 -","- C39 H63 Ag2 N3 Si3 -","- C78 H126 Ag4 N6 Si6 -","2","1","","Ghosh, Moushakhi; Gaurav, Kumar; Panwaria, Prakash; Panday, Rishukumar; Tothadi, Srinu; Khan, Shabana","Driving diverse bond functionalisation with <i>N</i>-heterocyclic silylene-coinage metal-aryl complexes.","Chemical science","2025","16","32","14518","14533","10.1039/d5sc00879d","","","0.71073","MoKα","","0.0457","0.0329","","","0.0738","0.0847","","","","","","1.152","","","","has coordinates","302489","2025-10-06","07:36:59",""
"1574971","8.7311","0.0017","16.101","0.003","24.398","0.004","90","","96.891","0.006","90","","3405.1","1.1","150","2","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H52 Cu N3 Si3 -","- C30 H52 Cu N3 Si3 -","- C120 H208 Cu4 N12 Si12 -","4","1","","Ghosh, Moushakhi; Gaurav, Kumar; Panwaria, Prakash; Panday, Rishukumar; Tothadi, Srinu; Khan, Shabana","Driving diverse bond functionalisation with <i>N</i>-heterocyclic silylene-coinage metal-aryl complexes.","Chemical science","2025","16","32","14518","14533","10.1039/d5sc00879d","","","0.71073","MoKα","","0.0623","0.0424","","","0.0811","0.0885","","","","","","1.056","","","","has coordinates","302489","2025-10-06","07:36:59",""
"1574972","23.369","0.004","11.3535","0.0019","4.5612","0.0007","90","","90","","90","","1210.2","0.3","150","","150","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C15 H15 B O2 -","- C15 H15 B O2 -","- C60 H60 B4 O8 -","4","0.5","","Ghosh, Moushakhi; Gaurav, Kumar; Panwaria, Prakash; Panday, Rishukumar; Tothadi, Srinu; Khan, Shabana","Driving diverse bond functionalisation with <i>N</i>-heterocyclic silylene-coinage metal-aryl complexes.","Chemical science","2025","16","32","14518","14533","10.1039/d5sc00879d","","","0.71073","MoKα","","0.056","0.0439","","","0.0975","0.1028","","","","","","1.101","","","","has coordinates,has disorder","302489","2025-10-06","07:36:59",""
"1574973","21.7756","0.001","9.2187","0.0005","22.1281","0.0012","90","","102.979","0.002","90","","4328.6","0.4","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H64 Cu N3 Si3 -","- C40 H64 Cu N3 Si3 -","- C160 H256 Cu4 N12 Si12 -","4","1","","Ghosh, Moushakhi; Gaurav, Kumar; Panwaria, Prakash; Panday, Rishukumar; Tothadi, Srinu; Khan, Shabana","Driving diverse bond functionalisation with <i>N</i>-heterocyclic silylene-coinage metal-aryl complexes.","Chemical science","2025","16","32","14518","14533","10.1039/d5sc00879d","","","0.71073","MoKα","","0.0887","0.0537","","","0.1138","0.1332","","","","","","1.15","","","","has coordinates,has disorder","302489","2025-10-06","07:36:59",""
"1574974","17.1666","0.0019","13.51","0.0015","22.268","0.003","90","","102.071","0.003","90","","5050.2","1","296","","296","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C46 H76 Cu N5 Si3 -","- C46 H76 Cu N5 Si3 -","- C184 H304 Cu4 N20 Si12 -","4","1","","Ghosh, Moushakhi; Gaurav, Kumar; Panwaria, Prakash; Panday, Rishukumar; Tothadi, Srinu; Khan, Shabana","Driving diverse bond functionalisation with <i>N</i>-heterocyclic silylene-coinage metal-aryl complexes.","Chemical science","2025","16","32","14518","14533","10.1039/d5sc00879d","","","0.71073","MoKα","","0.0598","0.0408","","","0.0846","0.0917","","","","","","1.03","","","","has coordinates","302489","2025-10-06","07:36:59",""
"1574975","9.4686","0.0017","21.957","0.005","19.381","0.004","90","","99.17","0.005","90","","3977.9","1.4","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H60 Cu N3 Si2 -","- C39 H60 Cu N3 Si2 -","- C156 H240 Cu4 N12 Si8 -","4","1","","Ghosh, Moushakhi; Gaurav, Kumar; Panwaria, Prakash; Panday, Rishukumar; Tothadi, Srinu; Khan, Shabana","Driving diverse bond functionalisation with <i>N</i>-heterocyclic silylene-coinage metal-aryl complexes.","Chemical science","2025","16","32","14518","14533","10.1039/d5sc00879d","","","0.71073","MoKα","","0.1151","0.0607","","","0.0948","0.111","","","","","","1.061","","","","has coordinates","302489","2025-10-06","07:36:59",""
"1574976","10.4856","0.0016","26.848","0.005","13.129","0.002","90","","102.797","0.005","90","","3604.2","1","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H51 Cu N3 P Si3 -","- C33 H51 Cu N3 P Si3 -","- C132 H204 Cu4 N12 P4 Si12 -","4","1","","Ghosh, Moushakhi; Gaurav, Kumar; Panwaria, Prakash; Panday, Rishukumar; Tothadi, Srinu; Khan, Shabana","Driving diverse bond functionalisation with <i>N</i>-heterocyclic silylene-coinage metal-aryl complexes.","Chemical science","2025","16","32","14518","14533","10.1039/d5sc00879d","","","0.71073","MoKα","","0.0611","0.0483","","","0.113","0.1213","","","","","","1.178","","","","has coordinates","302489","2025-10-06","07:36:59",""
"1574977","12.089","0.007","12.897","0.008","13.78","0.008","85.671","0.014","71.467","0.015","66.64","0.015","1866.9","1.9","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C33 H58 Cu N3 Si3 -","- C33 H58 Cu N3 Si3 -","- C66 H116 Cu2 N6 Si6 -","2","1","","Ghosh, Moushakhi; Gaurav, Kumar; Panwaria, Prakash; Panday, Rishukumar; Tothadi, Srinu; Khan, Shabana","Driving diverse bond functionalisation with <i>N</i>-heterocyclic silylene-coinage metal-aryl complexes.","Chemical science","2025","16","32","14518","14533","10.1039/d5sc00879d","","","0.71073","MoKα","","0.1225","0.0564","","","0.1163","0.1515","","","","","","0.983","","","","has coordinates","302489","2025-10-06","07:36:59",""
"1574978","25.182","0.008","13.756","0.004","20.876","0.007","90","","90","","90","","7232","4","150","","150","","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C65 H100 Cu2 N6 Si6 -","- C65 H100 Cu2 N6 Si6 -","- C260 H400 Cu8 N24 Si24 -","4","0.5","","Ghosh, Moushakhi; Gaurav, Kumar; Panwaria, Prakash; Panday, Rishukumar; Tothadi, Srinu; Khan, Shabana","Driving diverse bond functionalisation with <i>N</i>-heterocyclic silylene-coinage metal-aryl complexes.","Chemical science","2025","16","32","14518","14533","10.1039/d5sc00879d","","","0.71073","MoKα","","0.0418","0.0379","","","0.0995","0.1046","","","","","","1.046","","","","has coordinates,has disorder","302489","2025-10-06","07:36:59",""
"1574979","15.1058","0.0011","13.7633","0.0008","19.4686","0.0015","90","","106.283","0.002","90","","3885.3","0.5","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H41 Ag F10 N4 Si3 -","- C33 H41 Ag F10 N4 Si3 -","- C132 H164 Ag4 F40 N16 Si12 -","4","1","","Ghosh, Moushakhi; Gaurav, Kumar; Panwaria, Prakash; Panday, Rishukumar; Tothadi, Srinu; Khan, Shabana","Driving diverse bond functionalisation with <i>N</i>-heterocyclic silylene-coinage metal-aryl complexes.","Chemical science","2025","16","32","14518","14533","10.1039/d5sc00879d","","","0.71073","MoKα","","0.0888","0.0454","","","0.0942","0.112","","","","","","1.019","","","","has coordinates","302489","2025-10-06","07:36:59",""
"1574980","10.07","0.004","39.582","0.015","16.882","0.006","90","","102.573","0.007","90","","6568","4","273","2","273.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C127 H196 N12 Si8 -","- C127 H196 N12 Si8 -","- C254 H392 N24 Si16 -","2","0.5","","Ghosh, Moushakhi; Gaurav, Kumar; Panwaria, Prakash; Panday, Rishukumar; Tothadi, Srinu; Khan, Shabana","Driving diverse bond functionalisation with <i>N</i>-heterocyclic silylene-coinage metal-aryl complexes.","Chemical science","2025","16","32","14518","14533","10.1039/d5sc00879d","","","0.71073","MoKα","","0.0773","0.0608","","","0.1349","0.1438","","","","","","1.127","","","","has coordinates","302489","2025-10-06","07:36:59",""
"1574981","10.1287","0.0009","13.8838","0.0014","17.7827","0.0018","90","","94.649","0.003","90","","2492.5","0.4","296","","296","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H68 Cl2 Cu2 N4 Si2 -","- C48 H68 Cl2 Cu2 N4 Si2 -","- C96 H136 Cl4 Cu4 N8 Si4 -","2","0.5","","Ghosh, Moushakhi; Gaurav, Kumar; Panwaria, Prakash; Panday, Rishukumar; Tothadi, Srinu; Khan, Shabana","Driving diverse bond functionalisation with <i>N</i>-heterocyclic silylene-coinage metal-aryl complexes.","Chemical science","2025","16","32","14518","14533","10.1039/d5sc00879d","","","0.71073","MoKα","","0.0746","0.0572","","","0.1545","0.1691","","","","","","1.041","","","","has coordinates,has disorder","302489","2025-10-06","07:36:59",""
"1574982","12.0478","0.0007","13.1539","0.0008","13.8184","0.0009","86.515","0.002","71.449","0.002","67.362","0.002","1911.4","0.2","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C33 H58 Ag N3 Si3 -","- C33 H58 Ag N3 Si3 -","- C66 H116 Ag2 N6 Si6 -","2","1","","Ghosh, Moushakhi; Gaurav, Kumar; Panwaria, Prakash; Panday, Rishukumar; Tothadi, Srinu; Khan, Shabana","Driving diverse bond functionalisation with <i>N</i>-heterocyclic silylene-coinage metal-aryl complexes.","Chemical science","2025","16","32","14518","14533","10.1039/d5sc00879d","","","0.71073","MoKα","","0.0378","0.0335","","","0.086","0.0932","","","","","","1.156","","","","has coordinates","302489","2025-10-06","07:36:59",""
"1574983","9.365","0.005","20.278","0.011","21.736","0.012","90","","97.745","0.007","90","","4090","4","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H64 Ag N3 Si3 -","- C36 H64 Ag N3 Si3 -","- C144 H256 Ag4 N12 Si12 -","4","1","","Ghosh, Moushakhi; Gaurav, Kumar; Panwaria, Prakash; Panday, Rishukumar; Tothadi, Srinu; Khan, Shabana","Driving diverse bond functionalisation with <i>N</i>-heterocyclic silylene-coinage metal-aryl complexes.","Chemical science","2025","16","32","14518","14533","10.1039/d5sc00879d","","","0.71073","MoKα","","0.0547","0.039","","","0.0834","0.0899","","","","","","1.066","","","","has coordinates,has disorder","302489","2025-10-06","07:36:59",""
"1574984","17.82","0.003","11.6656","0.0017","31.588","0.005","90","","97.787","0.004","90","","6506","1.8","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C31 H36 Cu N3 Se Si3 -","- C31 H36 Cu N3 Se Si3 -","- C248 H288 Cu8 N24 Se8 Si24 -","8","1","","Ghosh, Moushakhi; Gaurav, Kumar; Panwaria, Prakash; Panday, Rishukumar; Tothadi, Srinu; Khan, Shabana","Driving diverse bond functionalisation with <i>N</i>-heterocyclic silylene-coinage metal-aryl complexes.","Chemical science","2025","16","32","14518","14533","10.1039/d5sc00879d","","","0.71073","MoKα","","0.172","0.103","","","0.2301","0.2767","","","","","","1.03","","","","has coordinates","302489","2025-10-06","07:36:59",""
"1574985","11.5755","0.0012","14.9774","0.0016","22.191","0.002","90","","90.984","0.003","90","","3846.7","0.7","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H56 Cu N5 Si3 -","- C35 H56 Cu N5 Si3 -","- C140 H224 Cu4 N20 Si12 -","4","1","","Ghosh, Moushakhi; Gaurav, Kumar; Panwaria, Prakash; Panday, Rishukumar; Tothadi, Srinu; Khan, Shabana","Driving diverse bond functionalisation with <i>N</i>-heterocyclic silylene-coinage metal-aryl complexes.","Chemical science","2025","16","32","14518","14533","10.1039/d5sc00879d","","","0.71073","MoKα","","0.0966","0.0584","","","0.1055","0.1177","","","","","","1.067","","","","has coordinates","302489","2025-10-06","07:36:59",""
"1574986","12.8772","0.0011","13.0612","0.0011","14.7699","0.0013","70.646","0.003","75.242","0.003","60.717","0.002","2031.3","0.3","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H55 Cu N4 Si3 -","- C34 H55 Cu N4 Si3 -","- C68 H110 Cu2 N8 Si6 -","2","1","","Ghosh, Moushakhi; Gaurav, Kumar; Panwaria, Prakash; Panday, Rishukumar; Tothadi, Srinu; Khan, Shabana","Driving diverse bond functionalisation with <i>N</i>-heterocyclic silylene-coinage metal-aryl complexes.","Chemical science","2025","16","32","14518","14533","10.1039/d5sc00879d","","","0.71073","MoKα","","0.0554","0.0376","","","0.0868","0.0945","","","","","","1.025","","","","has coordinates","302489","2025-10-06","07:36:59",""
"1574987","14.938","0.003","13.376","0.002","19.384","0.004","90","","105.935","0.005","90","","3724.3","1.2","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H41 Cu F10 N4 Si3 -","- C33 H41 Cu F10 N4 Si3 -","- C132 H164 Cu4 F40 N16 Si12 -","4","1","","Ghosh, Moushakhi; Gaurav, Kumar; Panwaria, Prakash; Panday, Rishukumar; Tothadi, Srinu; Khan, Shabana","Driving diverse bond functionalisation with <i>N</i>-heterocyclic silylene-coinage metal-aryl complexes.","Chemical science","2025","16","32","14518","14533","10.1039/d5sc00879d","","","0.71073","MoKα","","0.114","0.0606","","","0.0933","0.1091","","","","","","1.043","","","","has coordinates","302489","2025-10-06","07:36:59",""
"1574988","8.9008","0.0019","40.36","0.008","19.289","0.004","90","","101.101","0.005","90","","6800","2","150","","150","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C28.5 H49 Cu N4 Si3 -","- C25 H45 Cu N4 Si3 -","- C200 H360 Cu8 N32 Si24 -","8","2","","Ghosh, Moushakhi; Gaurav, Kumar; Panwaria, Prakash; Panday, Rishukumar; Tothadi, Srinu; Khan, Shabana","Driving diverse bond functionalisation with <i>N</i>-heterocyclic silylene-coinage metal-aryl complexes.","Chemical science","2025","16","32","14518","14533","10.1039/d5sc00879d","","","0.71073","MoKα","","0.1529","0.1018","","","0.1835","0.2047","","","","","","1.0676","","","","has coordinates,has disorder","302489","2025-10-06","07:36:59",""
"1574989","8.7713","0.0001","9.3831","0.0001","10.1855","0.0001","84.231","0.001","69.773","0.001","75.245","0.001","760.579","0.015","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C14 H17 B N2 O S Si -","- C14 H17 B N2 O S Si -","- C28 H34 B2 N4 O2 S2 Si2 -","2","1","","Wüst, Leonie; Chorbacher, Johannes; Keim, Timo; Wellnitz, Tim; Spieß, Julian; Wieprecht, Nele; Michel, Maximilian; Helten, Holger; Braunschweig, Holger","Tuning the emission properties of luminescent 1,2,3-diazaborinates.","Chemical science","2025","16","33","15086","15096","10.1039/d5sc03814f","","x-ray","1.54184","CuKα","K-L~2,3~","0.031","0.0304","","","0.0868","0.0872","","","","","","1.089","","","","has coordinates","302496","2025-10-06","07:39:14",""
"1574990","11.1933","0.0002","9.5312","0.0002","13.974","0.0003","90","","101.575","0.002","90","","1460.51","0.05","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H13 B N2 S -","- C17 H13 B N2 S -","- C68 H52 B4 N8 S4 -","4","1","","Wüst, Leonie; Chorbacher, Johannes; Keim, Timo; Wellnitz, Tim; Spieß, Julian; Wieprecht, Nele; Michel, Maximilian; Helten, Holger; Braunschweig, Holger","Tuning the emission properties of luminescent 1,2,3-diazaborinates.","Chemical science","2025","16","33","15086","15096","10.1039/d5sc03814f","","x-ray","1.54184","CuKα","K-L~2,3~","0.0519","0.0479","","","0.1298","0.1324","","","","","","1.053","","","","has coordinates","302496","2025-10-06","07:39:15",""
"1574991","7.8893","0.0002","9.6176","0.0002","41.2385","0.0007","90","","90","","90","","3129.02","0.12","99.98","0.1","99.98","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(2S,5R)-2-isopropyl-3,6-dimethoxy-5-(4-methoxyphenyl)-2,5-dihydropyrazine","","- C32 H44 N4 O6 -","- C32 H44 N4 O6 -","- C128 H176 N16 O24 -","4","1","","Sowa Prendes, Daniel; Löffler, Julian; Barreto, Ivan Martins; Sankaran, Nagesh; Remm, Henning; Nascimento de Oliveira, Ronaldo; Gessner, Viktoria H.; Gooßen, Lukas J","Diastereoselective arylation of bis-lactim ethers catalyzed by <i>N</i>-coordinating ylide-functionalized phosphine (NYPhos).","Chemical science","2025","16","31","14152","14160","10.1039/d5sc02814k","","x-ray","1.54184","CuKα","","0.0514","0.0482","","","0.1298","0.1322","","","","","","1.0273","","","","has coordinates","302514","2025-10-06","07:45:57",""
"1574992","14.591","0.0001","17.3926","0.0002","18.466","0.0001","102.698","0.001","97.838","0.001","114.743","0.001","4011.6","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H63 N3 P2 -","- C37 H63 N3 P2 -","- C148 H252 N12 P8 -","4","2","","Sowa Prendes, Daniel; Löffler, Julian; Barreto, Ivan Martins; Sankaran, Nagesh; Remm, Henning; Nascimento de Oliveira, Ronaldo; Gessner, Viktoria H.; Gooßen, Lukas J","Diastereoselective arylation of bis-lactim ethers catalyzed by <i>N</i>-coordinating ylide-functionalized phosphine (NYPhos).","Chemical science","2025","16","31","14152","14160","10.1039/d5sc02814k","","x-ray","1.54184","CuKα","","0.0386","0.0347","","","0.0901","0.0923","","","","","","1.051","","","","has coordinates","302514","2025-10-06","07:45:57",""
"1574993","17.505","0.0001","18.2908","0.0002","20.1417","0.0002","66.305","0.001","68.119","0.001","72.629","0.001","5395.23","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H51 N3 P2 -","- C25 H51 N3 P2 -","- C200 H408 N24 P16 -","8","4","","Sowa Prendes, Daniel; Löffler, Julian; Barreto, Ivan Martins; Sankaran, Nagesh; Remm, Henning; Nascimento de Oliveira, Ronaldo; Gessner, Viktoria H.; Gooßen, Lukas J","Diastereoselective arylation of bis-lactim ethers catalyzed by <i>N</i>-coordinating ylide-functionalized phosphine (NYPhos).","Chemical science","2025","16","31","14152","14160","10.1039/d5sc02814k","","x-ray","1.54184","CuKα","","0.0595","0.054","","","0.1498","0.1562","","","","","","1.041","","","","has coordinates","302514","2025-10-06","07:45:57",""
"1574995","22.468","0.005","10.54","0.002","20.861","0.004","90","","91.8","0.03","90","","4937.7","1.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C104 H130 Cu2 O27 -","- C104 H130 Cu2 O27 -","- C208 H260 Cu4 O54 -","2","0.5","","Jia, Xiao-Ran; Gao, Zi-Xuan; Fei, Hai-Ming; Lan, Li-Juan; Yu, Cai-Xia; Qian, Yong; Liu, Lei-Lei","Highly efficient and selective Sr<sup>2+</sup> capture using robust two-dimensional MOF nanosheets decorated with cage-like cavities.","Chemical science","2025","16","31","14231","14241","10.1039/d5sc02612a","","","0.71073","MoKα","","0.0438","0.0354","","","0.0958","0.1014","","","","","","1.043","","","","has coordinates","302515","2025-10-06","07:46:07",""
"1574996","5.6865","0.0002","8.1059","0.0003","10.908","0.0004","98.438","0.002","101.431","0.002","101.186","0.002","474.41","0.03","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C14 H22 Cl2 N2 Ni O4 S2 -","- C14 H22 Cl2 N2 Ni O4 S2 -","- C14 H22 Cl2 N2 Ni O4 S2 -","1","0.5","","Kong, Xianqiang; Chen, Yiyi; Zhang, Shuangquan; Feng, Kun; Chen, Xiaohui; Dong, Lin-Hui; Li, Meng-Hua; Xu, Yuan-Qing; Cao, Zhong-Yan","Electrochemically promoted defluorinative sulfoximination and fluorosulfonylation of non-activated aryl fluorides at room temperature.","Chemical science","2025","16","31","14161","14169","10.1039/d5sc03674g","","x-ray","0.71073","MoKα","","0.0267","0.0237","","","0.056","0.0574","","","","","","1.109","","","","has coordinates","302516","2025-10-06","07:46:15",""
"1574997","14.018","0.003","17.554","0.003","7.8113","0.0015","90","","104.941","0.005","90","","1857.2","0.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 N2 O5 -","- C21 H20 N2 O5 -","- C84 H80 N8 O20 -","4","1","","Vinod, Kavya; Thomas, Diana; Hariharan, Mahesh","Structural disorder as a key to photoprotection in eumelanin multimers.","Chemical science","2025","16","31","14304","14313","10.1039/d5sc00920k","","","0.71073","MoKα","","0.1613","0.0664","","","0.1446","0.1789","","","","","","1.025","","","","has coordinates","302509","2025-10-06","07:44:12",""
"1574998","9.8734","0.0007","20.7159","0.0008","26.4929","0.0003","90","","96.162","0.003","90","","5387.5","0.4","140","0.1","140","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C115.2 H174.8 N8 O4 U2 -","- C90 H146 N8 O4 U2 -","- C180 H292 N16 O8 U4 -","2","0.5","","Shivaraam, R. A. Keerthi; Maria, Leonor; Rajeshkumar, Thayalan; Scopelliti, Rosario; Živković, Ivica; Sienkiewicz, Andrzej; Maron, Laurent; Mazzanti, Marinella","Facile N-C bond cleavage and arene reduction by a transient uranium(ii) complex.","Chemical science","2025","16","31","14242","14251","10.1039/d5sc03694a","","x-ray","1.54184","CuKα","","0.0523","0.0412","","","0.1039","0.1092","","","","","","1.05","","","","has coordinates,has disorder","302508","2025-10-06","07:43:59",""
"1574999","11.2069","0.0003","14.7053","0.0005","18.7776","0.0006","84.7","0.003","80.165","0.002","82.473","0.002","3015.04","0.16","199.99","0.1","199.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C57 H104 N4 O6 Si U -","- C57 H104 N4 O6 Si U -","- C114 H208 N8 O12 Si2 U2 -","2","1","","Shivaraam, R. A. Keerthi; Maria, Leonor; Rajeshkumar, Thayalan; Scopelliti, Rosario; Živković, Ivica; Sienkiewicz, Andrzej; Maron, Laurent; Mazzanti, Marinella","Facile N-C bond cleavage and arene reduction by a transient uranium(ii) complex.","Chemical science","2025","16","31","14242","14251","10.1039/d5sc03694a","","x-ray","1.54184","CuKα","","0.0576","0.0434","","","0.0977","0.1023","","","","","","0.975","","","","has coordinates,has disorder","302508","2025-10-06","07:44:00",""
"1575000","16.1897","0.0004","15.6587","0.0006","19.7929","0.0008","90","","96.971","0.003","90","","4980.6","0.3","140","0.1","140","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H86 N4 O4 U -","- C42 H70 N4 O2 U -","- C168 H280 N16 O8 U4 -","4","1","","Shivaraam, R. A. Keerthi; Maria, Leonor; Rajeshkumar, Thayalan; Scopelliti, Rosario; Živković, Ivica; Sienkiewicz, Andrzej; Maron, Laurent; Mazzanti, Marinella","Facile N-C bond cleavage and arene reduction by a transient uranium(ii) complex.","Chemical science","2025","16","31","14242","14251","10.1039/d5sc03694a","","x-ray","1.54184","CuKα","","0.1021","0.0633","","","0.1386","0.1589","","","","","","1.002","","","","has coordinates,has disorder","302508","2025-10-06","07:44:00",""
"1575001","12.587","0.009","20.924","0.014","22.9","0.015","90","","90.935","0.01","90","","6030","7","143","","143","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","C118H138O18(C6H14)2","","","- C130 H166 O18 -","- C130 H166 O18 -","- C260 H332 O36 -","2","0.5","","Ohtani, Shunsuke; Nakagawa, Keigo; Akine, Shigehisa; Kato, Kenichi; Ogoshi, Tomoki","Dimerization of pillar[5]arene: length-adaptive encapsulation of long-chain guests.","Chemical science","2025","16","31","14262","14269","10.1039/d5sc01403d","","","0.71075","MoKα","","0.227","0.12","","","0.231","0.2819","","","","","","1.157","","","","has coordinates,has disorder","302507","2025-10-06","07:43:44",""
"1575002","12.062","0.005","21.595","0.009","23.1024","0.001","95.788","0.007","92.174","0.007","99.902","0.008","5888","3","143.15","","143.15","","","","","","","","","3","P -1","-P 1","2","","","","- C126.89 H168.73 O18 -","- C126.898 H168.735 O18 -","- C253.796 H337.47 O36 -","2","1","","Ohtani, Shunsuke; Nakagawa, Keigo; Akine, Shigehisa; Kato, Kenichi; Ogoshi, Tomoki","Dimerization of pillar[5]arene: length-adaptive encapsulation of long-chain guests.","Chemical science","2025","16","31","14262","14269","10.1039/d5sc01403d","","","0.71075","MoKα","","0.2451","0.1375","","","0.2709","0.339","","","","","","1.125","","","","has coordinates,has disorder","302507","2025-10-06","07:43:45",""
"1575003","10.2331","0.0006","17.097","0.001","12.6421","0.0007","90","","100.465","0.005","90","","2175","0.2","299.99","0.1","299.99","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H16 Cl2 Mn N4 -","- C24 H16 Cl2 Mn N4 -","- C96 H64 Cl8 Mn4 N16 -","4","1","","Lin, Quan; Lin, Liping; Wang, Jingjing; Yu, Daohong; Chen, Zhengwang; Wang, Zhong-Xia","Manganese-mediated C(sp)-Si cross-electrophile coupling of alkynyl halides with chlorosilanes.","Chemical science","2025","16","31","14216","14224","10.1039/d5sc03449c","","x-ray","1.54184","CuKα","","0.1676","0.1305","","","0.3044","0.3278","","","","","","1.036","","","","has coordinates","302506","2025-10-06","07:43:29",""
"1575004","9.4383","0.0004","15.9847","0.0007","18.7749","0.0008","90","","90","","90","","2832.5","0.2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H22 Cl N5 O Ru -","- C27 H22 Cl N5 O Ru -","- C108 H88 Cl4 N20 O4 Ru4 -","4","1","","Chen, Guo; Ding, Xiao-Lv; He, Piao; Cheng, Tao; Chen, Yang; Lin, Jian; Zhang, Xi; Zhao, Shan; Qiao, Na; Yi, Xiao-Yi","Understanding the factors governing the ammonia oxidation reaction by a mononuclear ruthenium complex","Chemical Science","2025","16","17","7573","7578","10.1039/D4SC02360A","","x-ray","0.71073","MoKα","","0.0886","0.0541","","","0.1343","0.1502","","","","","","0.922","","","","has coordinates","300325","2025-07-04","15:24:19",""
"1575005","9.4605","0.0005","9.5615","0.0004","9.9418","0.0004","116.535","0.004","108.263","0.005","100.865","0.004","704.62","0.08","298","","298","","","","","","","","","4","P -1","-P 1","2","","","","- C17 H15 N3 O -","- C17 H15 N3 O -","- C34 H30 N6 O2 -","2","1","","Chen, Guo; Ding, Xiao-Lv; He, Piao; Cheng, Tao; Chen, Yang; Lin, Jian; Zhang, Xi; Zhao, Shan; Qiao, Na; Yi, Xiao-Yi","Understanding the factors governing the ammonia oxidation reaction by a mononuclear ruthenium complex","Chemical Science","2025","16","17","7573","7578","10.1039/D4SC02360A","","x-ray","1.54184","CuKα","","0.077","0.0644","","","0.1808","0.1971","","","","","","1.064","","","","has coordinates","300325","2025-07-04","15:24:20",""
"1575006","11.9831","0.0006","11.9831","0.0006","8.335","0.0004","90","","90","","120","","1036.51","0.09","293","2","293","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","Co MOF","","- C6 H5 Co0.5 N O3 -","- C6 H5 Co0.5 N O3 -","- C36 H30 Co3 N6 O18 -","6","1","","Hussain, Nissar; Mobin, Shaikh M.","Tailored design of an oxygen-rich stable Co-MOF integrated with MXene nanofibers as an advanced heterostructure for high-performance ammonium-ion supercapacitors","Chemical Science","2025","16","19","8460","8469","10.1039/D5SC00171D","","","0.71073","MoKα","","0.0882","0.059","","","0.1274","0.1459","","","","","","1.067","","","","has coordinates","300326","2025-07-04","15:28:53",""
"1575007","26.3081","0.0016","31.481","0.002","32.9947","0.0019","71.067","0.004","86.315","0.004","89.79","0.004","25790","3","173","","173","","","","","","","","","11","P -1","-P 1","2","","","","- C402.5 H396 Au21 Br Cl20 Cu30 F54 N17 P18 S9 Sb9 -","- C402.5 H396 Au21 Br Cl20 Cu30 F54 N17 P18 S9 Sb9 -","- C805 H792 Au42 Br2 Cl40 Cu60 F108 N34 P36 S18 Sb18 -","2","1","","Zhang, Wei; Xu, Tingting; Kong, Jie; Li, Yuanming; Zhou, Xiaoguo; Zhang, Jiachen; Zhang, Qun; Song, Yongbo; Luo, Yi; Zhou, Meng","Intensive near-infrared emitting Au7Cu10 nanoclusters for both energy and electron harvesting","Chemical Science","2025","16","20","8910","8921","10.1039/D5SC00671F","","","1.34139","GaKα","","0.1364","0.0886","","","0.2446","0.2834","","","","","","0.99","","","","has coordinates,has disorder","300327","2025-07-04","15:34:14",""
"1575008","16.014","0.0003","14.2052","0.0002","15.6151","0.0003","90","","106.374","0.002","90","","3408.09","0.11","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C81 H70 B4 Cl2 S4 -","- C81 H70 B4 Cl2 S4 -","- C162 H140 B8 Cl4 S8 -","2","0.5","","Narita, Hiroki; Virovets, Alexander; Lerner, Hans-Wolfram; Wagner, Matthias; Yamaguchi, Shigehiro","Intramolecular arylsulfide-coordinated diboraanthracenes: effect of B–S coordination on ground-state and excited-state behavior","Chemical Science","2025","16","20","8764","8771","10.1039/D5SC01726B","","","0.71073","MoKα","","0.0441","0.0392","","","0.1064","0.1091","","","","","","1.039","","","","has coordinates,has disorder","300328","2025-07-04","15:35:02",""
"1575009","8.0487","0.0003","11.461","0.0004","13.8943","0.0004","83.718","0.002","78.136","0.003","84.362","0.003","1243","0.07","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C63 H42 B2 Cl2 F6 S2 -","- C63 H42 B2 Cl2 F6 S2 -","- C63 H42 B2 Cl2 F6 S2 -","1","0.5","","Narita, Hiroki; Virovets, Alexander; Lerner, Hans-Wolfram; Wagner, Matthias; Yamaguchi, Shigehiro","Intramolecular arylsulfide-coordinated diboraanthracenes: effect of B–S coordination on ground-state and excited-state behavior","Chemical Science","2025","16","20","8764","8771","10.1039/D5SC01726B","","","0.71073","MoKα","","0.0626","0.0457","","","0.1121","0.1196","","","","","","1.068","","","","has coordinates,has disorder","300328","2025-07-04","15:35:04",""
"1575010","28.7061","0.0007","28.7061","0.0007","13.725","0.0012","90","","90","","90","","11310","1.1","100","2","100","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C72 H70 B2 S2 -","- C72 H70 B2 S2 -","- C576 H560 B16 S16 -","8","0.5","","Narita, Hiroki; Virovets, Alexander; Lerner, Hans-Wolfram; Wagner, Matthias; Yamaguchi, Shigehiro","Intramolecular arylsulfide-coordinated diboraanthracenes: effect of B–S coordination on ground-state and excited-state behavior","Chemical Science","2025","16","20","8764","8771","10.1039/D5SC01726B","","","0.71073","MoKα","","0.1174","0.0733","","","0.1935","0.2245","","","","","","1.048","","","","has coordinates,has disorder","300328","2025-07-04","15:35:04",""
"1575011","13.4613","0.0004","15.9611","0.0004","18.0475","0.0005","88.617","0.002","74.222","0.002","75.94","0.002","3616.09","0.18","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H32 B2 F6 S2 -","- C42 H32 B2 F6 S2 -","- C168 H128 B8 F24 S8 -","4","2","","Narita, Hiroki; Virovets, Alexander; Lerner, Hans-Wolfram; Wagner, Matthias; Yamaguchi, Shigehiro","Intramolecular arylsulfide-coordinated diboraanthracenes: effect of B–S coordination on ground-state and excited-state behavior","Chemical Science","2025","16","20","8764","8771","10.1039/D5SC01726B","","","0.71073","MoKα","","0.1367","0.0641","","","0.1371","0.1615","","","","","","1.022","","","","has coordinates,has disorder","300328","2025-07-04","15:35:05",""
"1575012","11.443","0.002","11.3282","0.0013","17.464","0.003","90","","102.219","0.004","90","","2212.5","0.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H24 O2 P2 -","- C26 H24 O2 P2 -","- C104 H96 O8 P8 -","4","1","","Hoffman, Aleksander; Zychowicz, Mikolaj; Wang, Junhao; Matsuura, Keisuke; Kagawa, Fumitaka; Rzepiela, Jan; Heczko, Michal; Baś, Sebastian; Tokoro, Hiroko; Ohkoshi, Shin-ichi; Chorazy, Szymon","Photoluminescent, dielectric, and magnetic responsivity to the humidity variation in SHG-active pyroelectric manganese(ii)-based molecular material","Chemical Science","2025","16","20","8979","8997","10.1039/D5SC00404G","","x-ray","0.71073","MoKα","","0.0576","0.0453","","","0.0992","0.1041","","","","","","1.102","","","","has coordinates","300329","2025-07-04","15:37:03",""
"1575013","11.2956","0.0008","26.7171","0.0018","25.3047","0.0017","90","","100.865","0.002","90","","7499.7","0.9","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C78 H74 Cl4 Mn2 O7 P6 -","- C78 H74 Cl4 Mn2 O7 P6 -","- C312 H296 Cl16 Mn8 O28 P24 -","4","1","","Hoffman, Aleksander; Zychowicz, Mikolaj; Wang, Junhao; Matsuura, Keisuke; Kagawa, Fumitaka; Rzepiela, Jan; Heczko, Michal; Baś, Sebastian; Tokoro, Hiroko; Ohkoshi, Shin-ichi; Chorazy, Szymon","Photoluminescent, dielectric, and magnetic responsivity to the humidity variation in SHG-active pyroelectric manganese(ii)-based molecular material","Chemical Science","2025","16","20","8979","8997","10.1039/D5SC00404G","","x-ray","0.71073","MoKα","","0.0434","0.0423","","","0.0966","0.0971","","","","","","1.131","","","","has coordinates","300329","2025-07-04","15:37:04",""
"1575014","11.2591","0.0005","26.7307","0.0012","25.1411","0.0011","90","","100.52","0.001","90","","7439.4","0.6","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C78 H74 Cl4 Mn O7 P6 Zn -","- C78 H74 Cl4 Mn O7 P6 Zn -","- C312 H296 Cl16 Mn4 O28 P24 Zn4 -","4","1","","Hoffman, Aleksander; Zychowicz, Mikolaj; Wang, Junhao; Matsuura, Keisuke; Kagawa, Fumitaka; Rzepiela, Jan; Heczko, Michal; Baś, Sebastian; Tokoro, Hiroko; Ohkoshi, Shin-ichi; Chorazy, Szymon","Photoluminescent, dielectric, and magnetic responsivity to the humidity variation in SHG-active pyroelectric manganese(ii)-based molecular material","Chemical Science","2025","16","20","8979","8997","10.1039/D5SC00404G","","x-ray","0.71073","MoKα","","0.0461","0.0428","","","0.086","0.087","","","","","","1.14","","","","has coordinates","300329","2025-07-04","15:37:05",""
"1575015","13.0568","0.0005","19.8458","0.0008","29.0464","0.0012","90","","91.42","0.002","90","","7524.3","0.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C79 H72 Cl4 Mn2 N2 O6 P6 -","- C79 H72 Cl4 Mn2 N2 O6 P6 -","- C316 H288 Cl16 Mn8 N8 O24 P24 -","4","1","","Hoffman, Aleksander; Zychowicz, Mikolaj; Wang, Junhao; Matsuura, Keisuke; Kagawa, Fumitaka; Rzepiela, Jan; Heczko, Michal; Baś, Sebastian; Tokoro, Hiroko; Ohkoshi, Shin-ichi; Chorazy, Szymon","Photoluminescent, dielectric, and magnetic responsivity to the humidity variation in SHG-active pyroelectric manganese(ii)-based molecular material","Chemical Science","2025","16","20","8979","8997","10.1039/D5SC00404G","","x-ray","0.71073","MoKα","","0.0857","0.068","","","0.146","0.1533","","","","","","1.146","","","","has coordinates","300329","2025-07-04","15:37:05",""
"1575016","26.4176","0.0014","26.4176","0.0014","20.5907","0.0017","90","","90","","120","","12444.8","1.4","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C52 H48 Cl4 O5 P4 Zn2 -","- C52 H48 Cl4 O5 P4 Zn2 -","- C468 H432 Cl36 O45 P36 Zn18 -","9","0.5","","Hoffman, Aleksander; Zychowicz, Mikolaj; Wang, Junhao; Matsuura, Keisuke; Kagawa, Fumitaka; Rzepiela, Jan; Heczko, Michal; Baś, Sebastian; Tokoro, Hiroko; Ohkoshi, Shin-ichi; Chorazy, Szymon","Photoluminescent, dielectric, and magnetic responsivity to the humidity variation in SHG-active pyroelectric manganese(ii)-based molecular material","Chemical Science","2025","16","20","8979","8997","10.1039/D5SC00404G","","x-ray","0.71073","MoKα","","0.0869","0.0757","","","0.1634","0.1681","","","","","","1.22","","","","has coordinates","300329","2025-07-04","15:37:05",""
"1575017","11.4017","0.0007","27.3917","0.0017","25.2074","0.0016","90","","99.877","0.002","90","","7755.9","0.8","330","2","330","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C78 H72 Cl4 Mn2 O6 P6 -","- C78 H72 Cl4 Mn2 O6 P6 -","- C312 H288 Cl16 Mn8 O24 P24 -","4","1","","Hoffman, Aleksander; Zychowicz, Mikolaj; Wang, Junhao; Matsuura, Keisuke; Kagawa, Fumitaka; Rzepiela, Jan; Heczko, Michal; Baś, Sebastian; Tokoro, Hiroko; Ohkoshi, Shin-ichi; Chorazy, Szymon","Photoluminescent, dielectric, and magnetic responsivity to the humidity variation in SHG-active pyroelectric manganese(ii)-based molecular material","Chemical Science","2025","16","20","8979","8997","10.1039/D5SC00404G","","x-ray","0.71073","MoKα","","0.0465","0.0435","","","0.1099","0.1116","","","","","","1.057","","","","has coordinates","300329","2025-07-04","15:37:05",""
"1575018","11.3912","0.0007","27.2867","0.0017","25.2528","0.0016","90","","100.008","0.002","90","","7729.8","0.8","300","2","300","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C78 H72 Cl4 Mn2 O6 P6 -","- C78 H72 Cl4 Mn2 O6 P6 -","- C312 H288 Cl16 Mn8 O24 P24 -","4","1","","Hoffman, Aleksander; Zychowicz, Mikolaj; Wang, Junhao; Matsuura, Keisuke; Kagawa, Fumitaka; Rzepiela, Jan; Heczko, Michal; Baś, Sebastian; Tokoro, Hiroko; Ohkoshi, Shin-ichi; Chorazy, Szymon","Photoluminescent, dielectric, and magnetic responsivity to the humidity variation in SHG-active pyroelectric manganese(ii)-based molecular material","Chemical Science","2025","16","20","8979","8997","10.1039/D5SC00404G","","x-ray","0.71073","MoKα","","0.0464","0.044","","","0.1126","0.1139","","","","","","1.055","","","","has coordinates","300329","2025-07-04","15:37:06",""
"1575019","11.3782","0.0007","27.137","0.0015","25.3156","0.0014","90","","100.19","0.002","90","","7693.4","0.8","270","2","270","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C78 H74 Cl4 Mn2 O7 P6 -","- C78 H74 Cl4 Mn2 O7 P6 -","- C312 H296 Cl16 Mn8 O28 P24 -","4","1","","Hoffman, Aleksander; Zychowicz, Mikolaj; Wang, Junhao; Matsuura, Keisuke; Kagawa, Fumitaka; Rzepiela, Jan; Heczko, Michal; Baś, Sebastian; Tokoro, Hiroko; Ohkoshi, Shin-ichi; Chorazy, Szymon","Photoluminescent, dielectric, and magnetic responsivity to the humidity variation in SHG-active pyroelectric manganese(ii)-based molecular material","Chemical Science","2025","16","20","8979","8997","10.1039/D5SC00404G","","x-ray","0.71073","MoKα","","0.0454","0.0434","","","0.1097","0.1108","","","","","","1.074","","","","has coordinates","300329","2025-07-04","15:37:06",""
"1575020","11.2747","0.0007","26.9136","0.0019","25.1091","0.0017","90","","100.442","0.002","90","","7493","0.9","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C78 H72 Cl4 Mn2 O6 P6 -","- C78 H72 Cl4 Mn2 O6 P6 -","- C312 H288 Cl16 Mn8 O24 P24 -","4","1","","Hoffman, Aleksander; Zychowicz, Mikolaj; Wang, Junhao; Matsuura, Keisuke; Kagawa, Fumitaka; Rzepiela, Jan; Heczko, Michal; Baś, Sebastian; Tokoro, Hiroko; Ohkoshi, Shin-ichi; Chorazy, Szymon","Photoluminescent, dielectric, and magnetic responsivity to the humidity variation in SHG-active pyroelectric manganese(ii)-based molecular material","Chemical Science","2025","16","20","8979","8997","10.1039/D5SC00404G","","x-ray","0.71073","MoKα","","0.039","0.0357","","","0.0882","0.0907","","","","","","1.019","","","","has coordinates","300329","2025-07-04","15:37:06",""
"1575021","7.7941","0.0001","15.0015","0.0002","18.7462","0.0001","95.028","0.001","94.368","0.001","92.216","0.001","2174.82","0.04","100","0.2","100","0.2","","","","","","","","5","P 1","P 1","1","","","","- C27 H20 F N O6 -","- C27 H20 F N O6 -","- C108 H80 F4 N4 O24 -","4","4","","Ren, Panlong; Zhao, Qing; Chi, Yonggui Robin; Zhu, Tingshun","Carbene-catalyzed enantioselective construction of a quasi-symmetrical spirocyclic hydroquinone with a minor chiral distinction","Chemical Science","2025","16","20","8940","8945","10.1039/D5SC01605C","","x-ray","1.54184","CuKα","","0.0506","0.0467","","","0.1301","0.1335","","","","","","1.06","","","","has coordinates","300330","2025-07-04","15:38:12",""
"1575022","13.2767","0.0001","7.8477","0.0001","19.7078","0.0002","90","","109.306","0.001","90","","1937.92","0.04","99.9","0.5","99.9","0.5","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C48 H38 Cl2 O10 -","- C48 H38 Cl2 O10 -","- C96 H76 Cl4 O20 -","2","1","","Ren, Panlong; Zhao, Qing; Chi, Yonggui Robin; Zhu, Tingshun","Carbene-catalyzed enantioselective construction of a quasi-symmetrical spirocyclic hydroquinone with a minor chiral distinction","Chemical Science","2025","16","20","8940","8945","10.1039/D5SC01605C","","x-ray","1.54184","CuKα","","0.031","0.0297","","","0.0814","0.0819","","","","","","1.095","","","","has coordinates","300330","2025-07-04","15:38:16",""
"1575023","13.3142","0.0002","7.8396","0.0001","19.8412","0.0003","90","","108.449","0.002","90","","1964.55","0.05","100","0.4","100","0.4","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C48 H38 Br2 O10 -","- C48 H38 Br2 O10 -","- C96 H76 Br4 O20 -","2","1","","Ren, Panlong; Zhao, Qing; Chi, Yonggui Robin; Zhu, Tingshun","Carbene-catalyzed enantioselective construction of a quasi-symmetrical spirocyclic hydroquinone with a minor chiral distinction","Chemical Science","2025","16","20","8940","8945","10.1039/D5SC01605C","","x-ray","1.54184","CuKα","","0.0362","0.0356","","","0.0943","0.0947","","","","","","1.028","","","","has coordinates","300330","2025-07-04","15:38:17",""
"1575024","10.0323","0.0004","14.0039","0.0005","10.9141","0.0004","90","","116.185","0.002","90","","1375.98","0.09","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H18 B N3 O2 S -","- C12 H18 B N3 O2 S -","- C48 H72 B4 N12 O8 S4 -","4","1","","Ankudinov, Nikita M.; Alexeev, Nikita V.; Podyacheva, Evgeniya S.; Chusov, Denis A.; Lyssenko, Konstantin A.; Perekalin, Dmitry S.","Catalytic insertion of nitrenes into B–H bonds","Chemical Science","2025","16","15","6298","6306","10.1039/D5SC00723B","","x-ray","0.71073","MoKα","","0.0513","0.0435","","","0.1141","0.1204","","","","","","1.071","","","","has coordinates","300331","2025-07-04","15:41:19",""
"1575025","7.0532","0.0008","13.9162","0.0015","14.4394","0.0016","80.019","0.004","81.48","0.004","81.506","0.004","1369.6","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H29 B11 N2 O5 S -","- C22 H29 B11 N2 O5 S -","- C44 H58 B22 N4 O10 S2 -","2","1","","Ankudinov, Nikita M.; Alexeev, Nikita V.; Podyacheva, Evgeniya S.; Chusov, Denis A.; Lyssenko, Konstantin A.; Perekalin, Dmitry S.","Catalytic insertion of nitrenes into B–H bonds","Chemical Science","2025","16","15","6298","6306","10.1039/D5SC00723B","","x-ray","0.71073","MoKα","","0.1006","0.0762","","","0.1809","0.1995","","","","","","0.999","","","","has coordinates","300331","2025-07-04","15:41:20",""
"1575026","7.948","0.002","8.047","0.002","16.16","0.004","92.793","0.009","100.437","0.008","107.826","0.009","961.6","0.4","100","2","100","2","","","","","","","","8","P 1","P 1","1","","","","- C18 H11 B Br F5 N2 O3 S -","- C18 H11 B Br F5 N2 O3 S -","- C36 H22 B2 Br2 F10 N4 O6 S2 -","2","2","","Ankudinov, Nikita M.; Alexeev, Nikita V.; Podyacheva, Evgeniya S.; Chusov, Denis A.; Lyssenko, Konstantin A.; Perekalin, Dmitry S.","Catalytic insertion of nitrenes into B–H bonds","Chemical Science","2025","16","15","6298","6306","10.1039/D5SC00723B","","x-ray","0.71073","MoKα","","0.1492","0.0872","","","0.1628","0.2037","","","","","","1.017","","","","has coordinates,has disorder","300331","2025-07-04","15:41:21",""
"1575027","15.601","0.0013","8.9989","0.0011","15.8836","0.0016","90","","107.422","0.003","90","","2127.6","0.4","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H25 B N4 O4 S2 -","- C19 H25 B N4 O4 S2 -","- C76 H100 B4 N16 O16 S8 -","4","1","","Ankudinov, Nikita M.; Alexeev, Nikita V.; Podyacheva, Evgeniya S.; Chusov, Denis A.; Lyssenko, Konstantin A.; Perekalin, Dmitry S.","Catalytic insertion of nitrenes into B–H bonds","Chemical Science","2025","16","15","6298","6306","10.1039/D5SC00723B","","x-ray","0.71073","MoKα","","0.0854","0.0519","","","0.1095","0.1251","","","","","","1.041","","","","has coordinates","300331","2025-07-04","15:41:21",""
"1575028","15.0095","0.0009","15.3676","0.0009","17.4816","0.001","78.015","0.002","77.183","0.002","81.734","0.002","3825.9","0.4","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C18.86 H18.72 B Cl1.72 N2 O2 S -","- C18.8575 H18.715 B Cl1.715 N2 O2 S -","- C150.86 H149.72 B8 Cl13.72 N16 O16 S8 -","8","4","","Ankudinov, Nikita M.; Alexeev, Nikita V.; Podyacheva, Evgeniya S.; Chusov, Denis A.; Lyssenko, Konstantin A.; Perekalin, Dmitry S.","Catalytic insertion of nitrenes into B–H bonds","Chemical Science","2025","16","15","6298","6306","10.1039/D5SC00723B","","x-ray","0.71073","MoKα","","0.1142","0.0643","","","0.1695","0.2074","","","","","","0.988","","","","has coordinates,has disorder","300331","2025-07-04","15:41:21",""
"1575029","21.67271","0.00016","21.67271","0.00016","10.76754","0.0001","90","","90","","120","","4379.99","0.06","173","","173","","","","","","","","","7","R 3 :H","R 3","146","","(R,Z)-4-((3-(4-cyanophenyl)-4-oxo-6-(trifluoromethyl)-1,3-thiazinan-2-ylidene)amino)benzonitrile chloroform solvate","","- C19.33 H11.33 Cl F3 N4 O S -","- C19.3333 H11.3333 Cl F3 N4 O S -","- C174 H102 Cl9 F27 N36 O9 S9 -","9","1","","Nimmo, Alastair J.; Goodfellow, Alister S.; Guntley, Jacob T.; McKay, Aidan P.; Cordes, David B.; Bühl, Michael; Smith, Andrew D.","Isothiourea catalysed enantioselective generation of point and axially chiral iminothia- and iminoselenazinanones","Chemical Science","2025","16","23","10494","10502","10.1039/D5SC02435H","","x-ray","1.54184","CuKα","","0.0216","0.0215","","","0.056","0.056","","","","","","1.058","","","","has coordinates","300332","2025-07-04","15:45:57",""
"1575030","8.07483","0.00006","15.56758","0.00015","17.59729","0.00015","90","","90","","90","","2212.08","0.03","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(R,Z)-N-(3-(2-isopropylphenyl)-4-oxo-6-(trifluoromethyl)-1,3-thiazinan-2-ylidene)-4-methylbenzenesulfonamide","","- C21 H21 F3 N2 O3 S2 -","- C21 H21 F3 N2 O3 S2 -","- C84 H84 F12 N8 O12 S8 -","4","1","","Nimmo, Alastair J.; Goodfellow, Alister S.; Guntley, Jacob T.; McKay, Aidan P.; Cordes, David B.; Bühl, Michael; Smith, Andrew D.","Isothiourea catalysed enantioselective generation of point and axially chiral iminothia- and iminoselenazinanones","Chemical Science","2025","16","23","10494","10502","10.1039/D5SC02435H","","x-ray","1.54184","CuKα","","0.0394","0.0386","","","0.1028","0.1033","","","","","","1.043","","","","has coordinates","300332","2025-07-04","15:46:08",""
"1575031","9.51115","0.00005","16.17558","0.00009","10.71507","0.00005","90","","91.4505","0.0005","90","","1647.97","0.015","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","(R,Z)-N-(4-oxo-3-phenyl-6-(trifluoromethyl)-1,3-selenazinan-2-ylidene)benzamide","","- C18 H13 F3 N2 O2 Se -","- C18 H13 F3 N2 O2 Se -","- C72 H52 F12 N8 O8 Se4 -","4","2","","Nimmo, Alastair J.; Goodfellow, Alister S.; Guntley, Jacob T.; McKay, Aidan P.; Cordes, David B.; Bühl, Michael; Smith, Andrew D.","Isothiourea catalysed enantioselective generation of point and axially chiral iminothia- and iminoselenazinanones","Chemical Science","2025","16","23","10494","10502","10.1039/D5SC02435H","","x-ray","1.54184","CuKα","","0.0285","0.028","","","0.0752","0.0755","","","","","","1.07","","","","has coordinates","300332","2025-07-04","15:46:10",""
"1575032","11.2146","0.0003","14.2724","0.0004","13.2961","0.0004","90","","105.298","0.0012","90","","2052.76","0.1","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H37 B2 N -","- C25 H37 B2 N -","- C100 H148 B8 N4 -","4","1","","Bisai, Milan Kumar; Łosiewicz, Justyna; Nichol, Gary S.; Dominey, Andrew P.; Thomas, Stephen P.; Macgregor, Stuart A.; Ingleson, Michael J.","Ligand non-innocence and an unusual σ-bond metathesis step enables catalytic borylation using 9-borabicyclo-[3.3.1]-nonane","Chemical Science","2025","16","21","9255","9263","10.1039/D5SC02085A","","","0.71073","MoKα","","0.0403","0.0248","","","0.0397","0.045","","","","","","1.1054","","","","has coordinates","300333","2025-07-04","15:50:57",""
"1575033","6.5122","0.0002","9.5179","0.0005","10.1405","0.0007","116.147","0.006","98.075","0.004","99.496","0.003","540.11","0.06","120","0.1","120","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C24 H32 B2 S2 -","- C24 H32 B2 S2 -","- C24 H32 B2 S2 -","1","0.5","","Bisai, Milan Kumar; Łosiewicz, Justyna; Nichol, Gary S.; Dominey, Andrew P.; Thomas, Stephen P.; Macgregor, Stuart A.; Ingleson, Michael J.","Ligand non-innocence and an unusual σ-bond metathesis step enables catalytic borylation using 9-borabicyclo-[3.3.1]-nonane","Chemical Science","2025","16","21","9255","9263","10.1039/D5SC02085A","","x-ray","1.54184","CuKα","","0.0509","0.0455","","","0.13","0.133","","","","","","1.065","","","","has coordinates","300333","2025-07-04","15:50:58",""
"1575034","6.45827","0.00007","21.26402","0.00019","18.39205","0.00017","90","","94.8085","0.0009","90","","2516.87","0.04","120","0.1","120","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H34 B2 S3 -","- C28 H34 B2 S3 -","- C112 H136 B8 S12 -","4","2","","Bisai, Milan Kumar; Łosiewicz, Justyna; Nichol, Gary S.; Dominey, Andrew P.; Thomas, Stephen P.; Macgregor, Stuart A.; Ingleson, Michael J.","Ligand non-innocence and an unusual σ-bond metathesis step enables catalytic borylation using 9-borabicyclo-[3.3.1]-nonane","Chemical Science","2025","16","21","9255","9263","10.1039/D5SC02085A","","x-ray","1.54184","CuKα","","0.0394","0.0376","","","0.0959","0.0975","","","","","","1.031","","","","has coordinates,has disorder","300333","2025-07-04","15:50:58",""
"1575035","6.4133","0.0007","8.766","0.001","9.6703","0.0011","112.891","0.003","91.006","0.003","102.222","0.003","486.47","0.1","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H30 B2 S2 -","- C22 H30 B2 S2 -","- C22 H30 B2 S2 -","1","0.5","","Bisai, Milan Kumar; Łosiewicz, Justyna; Nichol, Gary S.; Dominey, Andrew P.; Thomas, Stephen P.; Macgregor, Stuart A.; Ingleson, Michael J.","Ligand non-innocence and an unusual σ-bond metathesis step enables catalytic borylation using 9-borabicyclo-[3.3.1]-nonane","Chemical Science","2025","16","21","9255","9263","10.1039/D5SC02085A","","","0.71073","MoKα","","0.0494","0.0423","","","0.1121","0.1183","","","","","","1.0978","","","","has coordinates","300333","2025-07-04","15:50:59",""
"1575036","13.5001","0.0005","15.0759","0.0005","12.6679","0.0005","90","","90","","90","","2578.25","0.16","100","","100","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C29 H48 B3 N -","- C29 H48 B3 N -","- C116 H192 B12 N4 -","4","0.5","","Bisai, Milan Kumar; Łosiewicz, Justyna; Nichol, Gary S.; Dominey, Andrew P.; Thomas, Stephen P.; Macgregor, Stuart A.; Ingleson, Michael J.","Ligand non-innocence and an unusual σ-bond metathesis step enables catalytic borylation using 9-borabicyclo-[3.3.1]-nonane","Chemical Science","2025","16","21","9255","9263","10.1039/D5SC02085A","","","0.71073","MoKα","","0.0301","0.0199","","","0.0349","0.0388","","","","","","1.1684","","","","has coordinates","300333","2025-07-04","15:50:59",""
"1575037","12.7925","0.0004","24.0811","0.0007","13.5539","0.0005","90","","107.123","0.002","90","","3990.3","0.2","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C43 H63 B N2 Zn -","- C43 H63 B N2 Zn -","- C172 H252 B4 N8 Zn4 -","4","1","","Bisai, Milan Kumar; Łosiewicz, Justyna; Nichol, Gary S.; Dominey, Andrew P.; Thomas, Stephen P.; Macgregor, Stuart A.; Ingleson, Michael J.","Ligand non-innocence and an unusual σ-bond metathesis step enables catalytic borylation using 9-borabicyclo-[3.3.1]-nonane","Chemical Science","2025","16","21","9255","9263","10.1039/D5SC02085A","","","0.71073","MoKα","","0.041","0.0237","","","0.0297","0.0335","","","","","","1.0862","","","","has coordinates,has disorder","300333","2025-07-04","15:50:59",""
"1575038","6.3123","0.0003","6.8085","0.0003","9.1809","0.0004","98.952","0.004","105.115","0.004","108.659","0.004","348.36","0.03","119.99","0.1","119.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C12 H16 Cu N2 O8 -","- C12 H16 Cu N2 O8 -","- C12 H16 Cu N2 O8 -","1","0.5","","Saha, Rajat; Sharma, Amitosh; Siddiqui, Anjila I.; Benmansour, Samia; Ortega-Castro, Joaquín; Frontera, Antonio; Mondal, Biswajit; Lah, Myoung Soo; Gómez García, Carlos J.","Simultaneous electron and proton conduction in a stable metal organic material with highly selective electrocatalytic oxygen reduction reaction to water","Chemical Science","2025","16","21","9501","9508","10.1039/D5SC02474A","","x-ray","1.54184","CuKα","","0.0316","0.0283","","","0.0711","0.0784","","","","","","1.112","","","","has coordinates","300334","2025-07-04","15:51:50",""
"1575039","11.8011","0.001","13.8575","0.001","26.5401","0.0017","90","","90","","90","","4340.2","0.6","149.98","0.1","149.98","0.1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H26 Br2 N P -","- C22 H26 Br2 N P -","- C176 H208 Br16 N8 P8 -","8","2","","Chen, Jing-Hua; Luo, Jian-Bin; He, Zi-Lin; Peng, Qing-Peng; Wei, Jun-Hua; Zhang, Zhi-Zhong; Guo, Xiu-Xian; Kuang, Dai-Bin","An anti-thermal-quenching organic–inorganic hybrid manganese-based single-crystal scintillator for high-temperature X-ray imaging","Chemical Science","2025","16","21","9375","9384","10.1039/D4SC08499C","","x-ray","0.71073","MoKα","","0.0841","0.0534","","","0.0873","0.0999","","","","","","1.05","","","","has coordinates","300335","2025-07-04","15:54:16",""
"1575040","13.0431","0.0005","11.9668","0.0005","18.5423","0.0006","90","","100.809","0.004","90","","2842.81","0.19","302.99","0.1","302.99","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H30 Br4 Mn N P -","- C24 H30 Br4 Mn N P -","- C96 H120 Br16 Mn4 N4 P4 -","4","1","","Chen, Jing-Hua; Luo, Jian-Bin; He, Zi-Lin; Peng, Qing-Peng; Wei, Jun-Hua; Zhang, Zhi-Zhong; Guo, Xiu-Xian; Kuang, Dai-Bin","An anti-thermal-quenching organic–inorganic hybrid manganese-based single-crystal scintillator for high-temperature X-ray imaging","Chemical Science","2025","16","21","9375","9384","10.1039/D4SC08499C","","x-ray","0.71073","MoKα","","0.1055","0.0558","","","0.103","0.1277","","","","","","1.031","","","","has coordinates","300335","2025-07-04","15:54:17",""
"1575041","13.0107","0.0006","12.3135","0.0007","18.7294","0.0008","90","","101.032","0.004","90","","2945.1","0.3","472.99","0.1","473.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H30 Br4 Mn N P -","- C24 H30 Br4 Mn N P -","- C96 H120 Br16 Mn4 N4 P4 -","4","1","","Chen, Jing-Hua; Luo, Jian-Bin; He, Zi-Lin; Peng, Qing-Peng; Wei, Jun-Hua; Zhang, Zhi-Zhong; Guo, Xiu-Xian; Kuang, Dai-Bin","An anti-thermal-quenching organic–inorganic hybrid manganese-based single-crystal scintillator for high-temperature X-ray imaging","Chemical Science","2025","16","21","9375","9384","10.1039/D4SC08499C","","","0.71073","MoKα","","0.1754","0.0688","","","0.148","0.2002","","","","","","1.008","","","","has coordinates","300335","2025-07-04","15:54:18",""
"1575042","13.0405","0.0005","11.9672","0.0005","18.5389","0.0006","90","","100.787","0.004","90","","2842.03","0.19","302.99","0.1","303.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H29 Br4 Mn N P -","- C24 H30 Br4 Mn N P -","- C96 H120 Br16 Mn4 N4 P4 -","4","1","","Chen, Jing-Hua; Luo, Jian-Bin; He, Zi-Lin; Peng, Qing-Peng; Wei, Jun-Hua; Zhang, Zhi-Zhong; Guo, Xiu-Xian; Kuang, Dai-Bin","An anti-thermal-quenching organic–inorganic hybrid manganese-based single-crystal scintillator for high-temperature X-ray imaging","Chemical Science","2025","16","21","9375","9384","10.1039/D4SC08499C","","","0.71073","MoKα","","0.1131","0.0545","","","0.0936","0.1183","","","","","","1.003","","","","has coordinates","300335","2025-07-04","15:54:18",""
"1575043","13.0435","0.0003","11.7766","0.0003","18.3955","0.0004","90","","100.719","0.002","90","","2776.39","0.11","149.99","0.1","150.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H30 Br4 Mn N P -","- C24 H30 Br4 Mn N P -","- C96 H120 Br16 Mn4 N4 P4 -","4","1","","Chen, Jing-Hua; Luo, Jian-Bin; He, Zi-Lin; Peng, Qing-Peng; Wei, Jun-Hua; Zhang, Zhi-Zhong; Guo, Xiu-Xian; Kuang, Dai-Bin","An anti-thermal-quenching organic–inorganic hybrid manganese-based single-crystal scintillator for high-temperature X-ray imaging","Chemical Science","2025","16","21","9375","9384","10.1039/D4SC08499C","","x-ray","0.71073","MoKα","","0.049","0.0376","","","0.0779","0.0841","","","","","","1.029","","","","has coordinates","300335","2025-07-04","15:54:18",""
"1575044","8.5137","0.0002","12.2993","0.0004","12.7994","0.0003","105.646","0.002","95.716","0.002","93.676","0.002","1278.38","0.06","149.99","0.1","149.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C22 H26 Br4 Mn N P -","- C22 H26 Br4 Mn N P -","- C44 H52 Br8 Mn2 N2 P2 -","2","1","","Chen, Jing-Hua; Luo, Jian-Bin; He, Zi-Lin; Peng, Qing-Peng; Wei, Jun-Hua; Zhang, Zhi-Zhong; Guo, Xiu-Xian; Kuang, Dai-Bin","An anti-thermal-quenching organic–inorganic hybrid manganese-based single-crystal scintillator for high-temperature X-ray imaging","Chemical Science","2025","16","21","9375","9384","10.1039/D4SC08499C","","x-ray","0.71073","MoKα","","0.0504","0.0336","","","0.0651","0.0711","","","","","","1.038","","","","has coordinates","300335","2025-07-04","15:54:18",""
"1575045","13.0324","0.0006","12.1492","0.0006","18.6523","0.0008","90","","100.893","0.004","90","","2900.1","0.2","402.99","0.1","403.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H30 Br4 Mn N P -","- C24 H30 Br4 Mn N P -","- C96 H120 Br16 Mn4 N4 P4 -","4","1","","Chen, Jing-Hua; Luo, Jian-Bin; He, Zi-Lin; Peng, Qing-Peng; Wei, Jun-Hua; Zhang, Zhi-Zhong; Guo, Xiu-Xian; Kuang, Dai-Bin","An anti-thermal-quenching organic–inorganic hybrid manganese-based single-crystal scintillator for high-temperature X-ray imaging","Chemical Science","2025","16","21","9375","9384","10.1039/D4SC08499C","","","0.71073","MoKα","","0.1544","0.0648","","","0.1365","0.1824","","","","","","0.981","","","","has coordinates","300335","2025-07-04","15:54:18",""
"1575046","27.4156","0.0019","14.9303","0.0008","11.6527","0.0007","90","","101.431","0.006","90","","4675.1","0.5","149.99","0.1","149.99","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H29.5 Br2 N P -","- C24 H30 Br2 N P -","- C192 H240 Br16 N8 P8 -","8","2","","Chen, Jing-Hua; Luo, Jian-Bin; He, Zi-Lin; Peng, Qing-Peng; Wei, Jun-Hua; Zhang, Zhi-Zhong; Guo, Xiu-Xian; Kuang, Dai-Bin","An anti-thermal-quenching organic–inorganic hybrid manganese-based single-crystal scintillator for high-temperature X-ray imaging","Chemical Science","2025","16","21","9375","9384","10.1039/D4SC08499C","","x-ray","0.71073","MoKα","","0.0891","0.0509","","","0.0929","0.1077","","","","","","1.028","","","","has coordinates","300335","2025-07-04","15:54:19",""
"1575048","9.2269","0.0002","13.0774","0.0003","15.755","0.0004","90","","100.223","0.001","90","","1870.88","0.08","200","","200","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H19 F O3 -","- C24 H19 F O3 -","- C96 H76 F4 O12 -","4","2","","Lin, Ziwei; Jiang, Yuqing; Wang, Fen; Huang, Genping; Li, Jessica; Li, Xingwei","Palladium-catalyzed redox diversified entry to axially chiral styrenes <i>via</i> asymmetric olefination with alkynes.","Chemical science","2025","16","31","14252","14261","10.1039/d5sc04080a","","","1.54178","CuKα","","0.0339","0.0334","","","0.0947","0.0953","","","","","","1.03","","","","has coordinates","302512","2025-10-06","07:45:23",""
"1575049","9.8872","0.0012","31.082","0.004","11.0103","0.0014","90","","108.905","0.004","90","","3201.1","0.7","243","","243","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C152 H132 N4 O20 S4 -","- C152 H132 N4 O20 S4 -","- C152 H132 N4 O20 S4 -","1","0.5","","Lin, Ziwei; Jiang, Yuqing; Wang, Fen; Huang, Genping; Li, Jessica; Li, Xingwei","Palladium-catalyzed redox diversified entry to axially chiral styrenes <i>via</i> asymmetric olefination with alkynes.","Chemical science","2025","16","31","14252","14261","10.1039/d5sc04080a","","","1.54178","CuKα","","0.0906","0.0895","","","0.2533","0.2551","","","","","","0.995","","","","has coordinates","302512","2025-10-06","07:45:23",""
"1575050","10.0206","0.0009","15.6245","0.0014","17.2804","0.0016","90","","90","","90","","2705.5","0.4","183","","183","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H33 N O5 S -","- C30 H33 N O5 S -","- C120 H132 N4 O20 S4 -","4","1","","Lin, Ziwei; Jiang, Yuqing; Wang, Fen; Huang, Genping; Li, Jessica; Li, Xingwei","Palladium-catalyzed redox diversified entry to axially chiral styrenes <i>via</i> asymmetric olefination with alkynes.","Chemical science","2025","16","31","14252","14261","10.1039/d5sc04080a","","","1.54178","CuKα","","0.0325","0.0318","","","0.0867","0.0874","","","","","","1.0479","","","","has coordinates","302512","2025-10-06","07:45:23",""
"1575066","8.2856","0.0012","17.898","0.002","21.953","0.003","108.813","0.011","97.313","0.012","93.276","0.011","3039.8","0.7","150","0.14","150","0.14","","","","","","","","4","P -1","-P 1","2","","Syn 1","","- C65.1 H32.4 Cl16 N2 -","- C56 H22 Cl16 N2 -","- C112 H44 Cl32 N4 -","2","1","","Arnold, Mona E.; Lebzelter, Anika; Thielert, Philipp; Blinder, Rémi; Schmid, Jonas; Zolg, Julia; Spatola, Emanuele; Jelezko, Fedor; von Delius, Max; Richert, Sabine; Kuehne, Alexander J. C.","Photostable triphenylmethyl-based diradicals with a degenerate singlet-triplet ground state and strong photoluminescence.","Chemical science","2025","16","32","14616","14624","10.1039/d5sc03673a","","x-ray","1.54184","CuKα","","0.1899","0.0882","","","0.1854","0.2727","","","","","","0.852","","","","has coordinates","302492","2025-10-06","07:37:46",""
"1575071","12.0927","0.0005","12.8115","0.0006","26.9444","0.0009","90","","90","","90","","4174.4","0.3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H24 B10 S3 Ti -","- C12 H24 B10 S3 Ti -","- C96 H192 B80 S24 Ti8 -","8","1","","Bairagi, Subhash; Patel, Deepak Kumar; Chatterjee, Debipada; Kučeráková, Monika; Macháček, Jan; Base, Tomas; Pradeep, Thalappil; Ghosh, Sundargopal","Cluster <i>versus</i> coordination: the chemistry of cyclopentadienyl titanium and vanadium complexes with B- and C-functionalized carborane-thiols, [C<sub>2</sub>B<sub>10</sub>H<sub>12-<i>n</i></sub> (SH) <sub><i>n</i></sub> ] (<i>n</i> = 2 or 3).","Chemical science","2025","16","31","14127","14139","10.1039/d5sc03562g","","","0.71073","MoKα","","0.0864","0.0506","","","0.1038","0.1194","","","","","","1.028","","","","has coordinates","302505","2025-10-06","07:43:06",""
"1575072","10.449","0.002","14.2128","0.0019","13.26","0.003","90","","92.289","0.007","90","","1967.7","0.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H24 B9 S3 V -","- C12 H24 B9 S3 V -","- C48 H96 B36 S12 V4 -","4","1","","Bairagi, Subhash; Patel, Deepak Kumar; Chatterjee, Debipada; Kučeráková, Monika; Macháček, Jan; Base, Tomas; Pradeep, Thalappil; Ghosh, Sundargopal","Cluster <i>versus</i> coordination: the chemistry of cyclopentadienyl titanium and vanadium complexes with B- and C-functionalized carborane-thiols, [C<sub>2</sub>B<sub>10</sub>H<sub>12-<i>n</i></sub> (SH) <sub><i>n</i></sub> ] (<i>n</i> = 2 or 3).","Chemical science","2025","16","31","14127","14139","10.1039/d5sc03562g","","","0.71073","MoKα","","0.1146","0.0565","","","0.1075","0.1322","","","","","","0.994","","","","has coordinates","302505","2025-10-06","07:43:09",""
"1575073","13.4518","0.0006","12.5002","0.0006","19.0272","0.0011","90","","90","","90","","3199.4","0.3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7 H14 B10 S3 Ti -","- C7 H14 B10 S3 Ti -","- C56 H112 B80 S24 Ti8 -","8","1","","Bairagi, Subhash; Patel, Deepak Kumar; Chatterjee, Debipada; Kučeráková, Monika; Macháček, Jan; Base, Tomas; Pradeep, Thalappil; Ghosh, Sundargopal","Cluster <i>versus</i> coordination: the chemistry of cyclopentadienyl titanium and vanadium complexes with B- and C-functionalized carborane-thiols, [C<sub>2</sub>B<sub>10</sub>H<sub>12-<i>n</i></sub> (SH) <sub><i>n</i></sub> ] (<i>n</i> = 2 or 3).","Chemical science","2025","16","31","14127","14139","10.1039/d5sc03562g","","","0.71073","MoKα","","0.0379","0.029","","","0.0709","0.0764","","","","","","1.048","","","","has coordinates,has disorder","302505","2025-10-06","07:43:10",""
"1575074","12.1687","0.0009","12.8758","0.001","26.9268","0.0018","90","","90","","90","","4218.9","0.5","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H27 B11 S2 Ti -","- C12 H27 B11 S2 Ti -","- C96 H216 B88 S16 Ti8 -","8","1","","Bairagi, Subhash; Patel, Deepak Kumar; Chatterjee, Debipada; Kučeráková, Monika; Macháček, Jan; Base, Tomas; Pradeep, Thalappil; Ghosh, Sundargopal","Cluster <i>versus</i> coordination: the chemistry of cyclopentadienyl titanium and vanadium complexes with B- and C-functionalized carborane-thiols, [C<sub>2</sub>B<sub>10</sub>H<sub>12-<i>n</i></sub> (SH) <sub><i>n</i></sub> ] (<i>n</i> = 2 or 3).","Chemical science","2025","16","31","14127","14139","10.1039/d5sc03562g","","","0.71073","MoKα","","0.0594","0.0433","","","0.1091","0.1175","","","","","","1.123","","","","has coordinates","302505","2025-10-06","07:43:10",""
"1575075","22.5923","0.0005","21.4585","0.0009","12.9948","0.001","90","","96.737","0.0014","90","","6256.3","0.6","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C83 H130 B10 S15 Ti10 -","- C83 H130 B10 S15 Ti10 -","- C166 H260 B20 S30 Ti20 -","2","0.5","","Bairagi, Subhash; Patel, Deepak Kumar; Chatterjee, Debipada; Kučeráková, Monika; Macháček, Jan; Base, Tomas; Pradeep, Thalappil; Ghosh, Sundargopal","Cluster <i>versus</i> coordination: the chemistry of cyclopentadienyl titanium and vanadium complexes with B- and C-functionalized carborane-thiols, [C<sub>2</sub>B<sub>10</sub>H<sub>12-<i>n</i></sub> (SH) <sub><i>n</i></sub> ] (<i>n</i> = 2 or 3).","Chemical science","2025","16","31","14127","14139","10.1039/d5sc03562g","","","0.71073","MoKα","","0.0977","0.0763","","","0.2219","0.2465","","","","","","1.05","","","","has coordinates,has disorder","302505","2025-10-06","07:43:10",""
"1575076","13.468","0.0008","24.0416","0.0015","22.536","0.0016","90","","100.988","0.002","90","","7163.2","0.8","300","","300","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C88 H160 B40 O4 S20 Ti12 -","- C88 H160 B40 O4 S20 Ti12 -","- C176 H320 B80 O8 S40 Ti24 -","2","0.5","","Bairagi, Subhash; Patel, Deepak Kumar; Chatterjee, Debipada; Kučeráková, Monika; Macháček, Jan; Base, Tomas; Pradeep, Thalappil; Ghosh, Sundargopal","Cluster <i>versus</i> coordination: the chemistry of cyclopentadienyl titanium and vanadium complexes with B- and C-functionalized carborane-thiols, [C<sub>2</sub>B<sub>10</sub>H<sub>12-<i>n</i></sub> (SH) <sub><i>n</i></sub> ] (<i>n</i> = 2 or 3).","Chemical science","2025","16","31","14127","14139","10.1039/d5sc03562g","","","0.71073","MoKα","","0.0698","0.0445","","","0.1111","0.1256","","","","","","1.026","","","","has coordinates","302505","2025-10-06","07:43:10",""
"1575077","7.6245","0.0008","11.3457","0.0011","18.9104","0.0016","98.867","0.007","96.371","0.008","104.22","0.009","1547.7","0.3","150","0.1","150","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C43 H30 N2 -","- C43 H30 N2 -","- C86 H60 N4 -","2","1","","Du, Yuqin; Peng, Yali; Dong, Wenjian; Xu, Huixia; Li, Xinyu; Chen, Kang; Wang, Feng; Miao, Yanqin; Tao, Peng; Wang, Hua; Yu, Junsheng","Hybridized local and charge-transfer materials using pyrene as π-bridge towards negligible efficiency roll-off in non-doped OLED.","Chemical science","2025","16","31","14342","14349","10.1039/d5sc01756d","","x-ray","0.71073","MoKα","","0.1451","0.0693","","","0.1559","0.1898","","","","","","1.002","","","","has coordinates","302517","2025-10-06","07:46:24",""
"1575078","7.88303","0.00017","9.5602","0.0003","36.0425","0.0008","90","","93.3839","0.0019","90","","2711.55","0.12","160","0.1","160","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H25 B Br2 F2 N2 O3 -","- C30 H25 B Br2 F2 N2 O3 -","- C120 H100 B4 Br8 F8 N8 O12 -","4","1","","Kuznetsov, Kirill M.; Mesdom, Pierre; Purkait, Kallol; Blacque, Olivier; Winter, Arthur H.; Cariou, Kevin; Gasser, Gilles","Phototoxicity of hydroxymethyl-BODIPYs: are photocages that innocent?","Chemical science","2025","16","32","14553","14563","10.1039/d5sc04032a","","x-ray","1.54184","CuKα","","0.0669","0.0572","","","0.1396","0.1441","","","","","","1.194","","","","has coordinates","302495","2025-10-06","07:38:56",""
"1575079","9.4724","0.0007","36.55","0.003","9.4864","0.0007","90","","117.303","0.003","90","","2918.4","0.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C39 H34 B N O2 -","- C39 H34 B N O2 -","- C156 H136 B4 N4 O8 -","4","2","","Chen, Zi-Jian; Lu, Hsiu-Feng; Chiu, Chun-Wei; Liu, Yi-Hung; Hsu, Chao-Ping; Yang, Jye-Shane","Extrinsic gating of the rotary direction of a light-driven molecular motor by dynamic boronic acid-diol complexation.","Chemical science","2025","16","31","14366","14376","10.1039/d5sc03240g","","","1.54178","CuKα","","0.0635","0.0586","","","0.1525","0.1611","","","","","","1.071","","","","has coordinates","302510","2025-10-06","07:44:31",""
"1575080","17.4621","0.001","8.4696","0.0005","27.8916","0.0016","90","","90","","90","","4125.1","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C25 H24 B N O2 -","- C25 H24 B N O2 -","- C200 H192 B8 N8 O16 -","8","1","","Chen, Zi-Jian; Lu, Hsiu-Feng; Chiu, Chun-Wei; Liu, Yi-Hung; Hsu, Chao-Ping; Yang, Jye-Shane","Extrinsic gating of the rotary direction of a light-driven molecular motor by dynamic boronic acid-diol complexation.","Chemical science","2025","16","31","14366","14376","10.1039/d5sc03240g","","","1.54178","CuKα","","0.0407","0.0394","","","0.0982","0.0995","","","","","","1.06","","","","has coordinates","302510","2025-10-06","07:44:33",""
"1575088","20.6","","20.6","","7.36","","90","","90","","90","","3123.29","","293","2","293","2","","","","","","","","4","P 42","P 4c","77","CIM-2","","","- C H N O -","- C162 H112 N8 O8 -","- C162 H112 N8 O8 -","1","0.25","","Liu, Jiaqiang; Su, Xin; Xu, Yan; Tang, Weiwei; Yang, Taimin; Gong, Junbo","Facile and scalable synthesis of high-quality three-dimensional imine-linked covalent organic frameworks <i>via</i> crystalline intermediate transformation.","Chemical science","2025","16","33","15037","15044","10.1039/d5sc04741b","","","0.0197","","","0.2291","0.1943","","","0.4532","0.4966","","","","","","1.023","","","","has coordinates","302500","2025-10-06","07:40:13",""
"1575089","24.8","","24.8","","7.86","","90","","90","","90","","4834.21","","293","2","293","2","","","","","","","","4","I 41/a :2","-I 4ad","88","CIM-1","","","- C228 H128 N16 O16 -","- C228 H128 N16 O16 -","- C228 H128 N16 O16 -","1","0.0625","","Liu, Jiaqiang; Su, Xin; Xu, Yan; Tang, Weiwei; Yang, Taimin; Gong, Junbo","Facile and scalable synthesis of high-quality three-dimensional imine-linked covalent organic frameworks <i>via</i> crystalline intermediate transformation.","Chemical science","2025","16","33","15037","15044","10.1039/d5sc04741b","","","0.0197","","","0.3152","0.2696","","","0.6413","0.659","","","","","","1.075","","","","has coordinates","302500","2025-10-06","07:40:14",""
"1575090","6.6993","0.0011","14.819","0.002","21.974","0.003","90","","90","","90","","2181.5","0.6","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H29 B O4 -","- C23 H29 B O4 -","- C92 H116 B4 O16 -","4","1","","Ramudu, G. Raghu; Patil, Vaibhav B.; Nanubolu, Jagadeesh Babu; Chegondi, Rambabu","Cu(i)-catalyzed enantioselective and stereospecific borylative annulation of cyclic 1,3-dione-tethered 1,3-enynes.","Chemical science","2025","16","33","14988","14994","10.1039/d5sc03007b","","","0.71073","MoKα","","0.0849","0.0522","","","0.1022","0.1123","","","","","","1.033","","","","has coordinates,has disorder","302501","2025-10-06","07:40:36",""
"1575091","6.661","0.002","19.722","0.005","20.481","0.005","90","","90","","90","","2690.6","1.2","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H32 B Br O4 -","- C29 H32 B Br O4 -","- C116 H128 B4 Br4 O16 -","4","1","","Ramudu, G. Raghu; Patil, Vaibhav B.; Nanubolu, Jagadeesh Babu; Chegondi, Rambabu","Cu(i)-catalyzed enantioselective and stereospecific borylative annulation of cyclic 1,3-dione-tethered 1,3-enynes.","Chemical science","2025","16","33","14988","14994","10.1039/d5sc03007b","","","0.71073","MoKα","","0.1134","0.0462","","","0.1034","0.1278","","","","","","1.01","","","","has coordinates,has disorder","302501","2025-10-06","07:40:38",""
"1575092","8.1618","0.0002","11.0202","0.0003","12.1858","0.0003","80.226","0.006","71.038","0.005","81.929","0.006","1017.24","0.06","93","2","93.15","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H23 N O5 -","- C24 H23 N O5 -","- C48 H46 N2 O10 -","2","1","","Isono, Tomohiro; Harada, Shingo; Yanagawa, Mai; Nemoto, Tetsuhiro","Copper-catalyzed direct regioselective C5-H alkylation reactions of functionalized indoles with α-diazomalonates.","Chemical science","2025","16","33","14967","14975","10.1039/d5sc03417e","","x-ray","1.54187","CuKα","","0.0563","0.0429","","","0.1096","0.1165","","","","","","1.054","","","","has coordinates,has disorder","302499","2025-10-06","07:39:58",""
"1575093","9.3355","0.0008","11.5289","0.0012","14.8376","0.0015","100.397","0.003","93.544","0.003","110.076","0.003","1462","0.2","102","2","102","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H28 N4 O4 -","- C37 H28 N4 O4 -","- C74 H56 N8 O8 -","2","1","","Huber, Alexander; Thiele, Tobias; Rex, Tobias; Daniliuc, Constantin; Wölper, Christoph; Lorberg, Rick Y.; Höfmann, Lea; Strassert, Cristian A.; Giese, Michael; Voskuhl, Jens","Steric pressure in heteropentacenes modulates the photophysical properties - a molecular design strategy for functional materials.","Chemical science","2025","16","34","15723","15733","10.1039/d5sc03028e","","x-ray","0.71073","MoKα","","0.089","0.063","","","0.1617","0.1877","","","","","","1.014","","","","has coordinates","302553","2025-10-06","08:02:14",""
"1575094","30.5559","0.0013","6.7574","0.0003","21.5694","0.0009","90","","124.734","0.002","90","","3660","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H13 F2 N3 O2 -","- C22 H13 F2 N3 O2 -","- C176 H104 F16 N24 O16 -","8","1","","Huber, Alexander; Thiele, Tobias; Rex, Tobias; Daniliuc, Constantin; Wölper, Christoph; Lorberg, Rick Y.; Höfmann, Lea; Strassert, Cristian A.; Giese, Michael; Voskuhl, Jens","Steric pressure in heteropentacenes modulates the photophysical properties - a molecular design strategy for functional materials.","Chemical science","2025","16","34","15723","15733","10.1039/d5sc03028e","","x-ray","1.54178","CuKα","","0.0619","0.048","","","0.1237","0.1368","","","","","","1.02","","","","has coordinates","302553","2025-10-06","08:02:15",""
"1575095","6.8945","0.0007","7.9423","0.0008","12.3462","0.0012","74.095","0.003","83.457","0.003","82.201","0.003","642.07","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H22 N4 O2 -","- C34 H22 N4 O2 -","- C34 H22 N4 O2 -","1","0.5","","Huber, Alexander; Thiele, Tobias; Rex, Tobias; Daniliuc, Constantin; Wölper, Christoph; Lorberg, Rick Y.; Höfmann, Lea; Strassert, Cristian A.; Giese, Michael; Voskuhl, Jens","Steric pressure in heteropentacenes modulates the photophysical properties - a molecular design strategy for functional materials.","Chemical science","2025","16","34","15723","15733","10.1039/d5sc03028e","","","0.71073","MoKα","","0.061","0.0478","","","0.1329","0.1438","","","","","","1.041","","","","has coordinates","302553","2025-10-06","08:02:15",""
"1575096","7.684","0.0007","7.9687","0.0008","12.3504","0.0012","71.581","0.003","72.351","0.003","85.723","0.003","683.53","0.12","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H26 N4 O4 -","- C36 H26 N4 O4 -","- C36 H26 N4 O4 -","1","0.5","","Huber, Alexander; Thiele, Tobias; Rex, Tobias; Daniliuc, Constantin; Wölper, Christoph; Lorberg, Rick Y.; Höfmann, Lea; Strassert, Cristian A.; Giese, Michael; Voskuhl, Jens","Steric pressure in heteropentacenes modulates the photophysical properties - a molecular design strategy for functional materials.","Chemical science","2025","16","34","15723","15733","10.1039/d5sc03028e","","","1.54178","CuKα","","0.0378","0.0345","","","0.0928","0.0964","","","","","","1.067","","","","has coordinates","302553","2025-10-06","08:02:15",""
"1575097","11.6575","0.0002","12.9957","0.0003","14.0878","0.0003","66.322","0.001","89.808","0.001","75.429","0.001","1880.21","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H15 F2 N3 O2 -","- C23 H15 F2 N3 O2 -","- C92 H60 F8 N12 O8 -","4","2","","Huber, Alexander; Thiele, Tobias; Rex, Tobias; Daniliuc, Constantin; Wölper, Christoph; Lorberg, Rick Y.; Höfmann, Lea; Strassert, Cristian A.; Giese, Michael; Voskuhl, Jens","Steric pressure in heteropentacenes modulates the photophysical properties - a molecular design strategy for functional materials.","Chemical science","2025","16","34","15723","15733","10.1039/d5sc03028e","","x-ray","1.54178","CuKα","","0.0417","0.0337","","","0.0829","0.0883","","","","","","1.031","","","","has coordinates","302553","2025-10-06","08:02:15",""
"1575098","17.4318","0.0003","7.66062","0.00014","34.8985","0.0004","90","","98.133","0.0013","90","","4613.42","0.13","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C59 H54 B3 N O2 -","- C59 H54 B3 N O2 -","- C236 H216 B12 N4 O8 -","4","1","","Wu, Sen; Chen, Dongyang; Seinfeld, Mathilde; McKay, Aidan P.; Cordes, David B.; Zhang, Xiaohong; Zysman-Colman, Eli","A three boron doped B/O/N multi-resonant TADF emitter for improved reverse intersystem crossing rate and efficient pure blue organic light-emitting diodes.","Chemical science","2025","16","33","15256","15264","10.1039/d5sc03560k","","x-ray","1.54184","CuKα","","0.1151","0.0818","","","0.1905","0.2076","","","","","","1.143","","","","has coordinates","302497","2025-10-06","07:39:25",""
"1575099","12.1103","0.0016","12.1103","0.0016","94.1","0.02","90","","90","","120","","11952","3","150","2","150","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C66 H50 N6 Na4 O25 Si2 -","- C66 H50.0004 N6 Na4 O25 Si2 -","- C396 H300.002 N36 Na24 O150 Si12 -","6","0.166667","","Guan, Yu-Tao; Ji, Heng; Yang, Ju; Yu, Sai-Sai; Liu, Ming","Construction of helicates based on six-coordinated silicon centres.","Chemical science","2025","16","32","14448","14454","10.1039/d5sc03271g","","x-ray","1.54178","CuKα","","0.176","0.1432","","","0.313","0.3272","","","","","","1.109","","","","has coordinates,has disorder","302494","2025-10-06","07:38:43",""
"1575100","12.0214","0.0019","12.0214","0.0019","46.609","0.012","90","","90","","120","","5833","2","150","2","150","2","","","","","","","","6","P 3","P 3","143","","","","- C105 H107.5 N9.5 Na4 O23.5 Si2 -","- C81 H57 N6 Na4 O19.5 Si2 -","- C162 H114 N12 Na8 O39 Si4 -","2","0.666667","","Guan, Yu-Tao; Ji, Heng; Yang, Ju; Yu, Sai-Sai; Liu, Ming","Construction of helicates based on six-coordinated silicon centres.","Chemical science","2025","16","32","14448","14454","10.1039/d5sc03271g","","x-ray","1.54178","CuKα","","0.2075","0.094","","","0.232","0.2719","","","","","","1.074","","","","has coordinates","302494","2025-10-06","07:38:43",""
"1575101","12.0134","0.001","12.0134","0.001","44.831","0.008","90","","90","","120","","5603.3","1.2","150","2","150","2","","","","","","","","6","P 63 2 2","P 6c 2c","182","","","","- C212 H232 N14 Na8 O49 Si4 -","- C156 H96 N12 Na8 O36 Si4 -","- C156 H96 N12 Na8 O36 Si4 -","1","0.0833333","","Guan, Yu-Tao; Ji, Heng; Yang, Ju; Yu, Sai-Sai; Liu, Ming","Construction of helicates based on six-coordinated silicon centres.","Chemical science","2025","16","32","14448","14454","10.1039/d5sc03271g","","x-ray","1.54178","CuKα","","0.1243","0.0948","","","0.2369","0.2541","","","","","","1.046","","","","has coordinates","302494","2025-10-06","07:38:43",""
"1575102","15.2692","0.0002","15.2692","0.0002","28.4569","0.0007","90","","90","","120","","5745.8","0.18","150","2","150","2","","","","","","","","7","P 3 1 c","P 3 -2c","159","","","","- C92 H94 N6 Na4 O33 S3 Si2 -","- C84 H74.0004 N6 Na3.9999 O31 S3 Si2 -","- C168 H148.001 N12 Na7.9998 O62 S6 Si4 -","2","0.333333","","Guan, Yu-Tao; Ji, Heng; Yang, Ju; Yu, Sai-Sai; Liu, Ming","Construction of helicates based on six-coordinated silicon centres.","Chemical science","2025","16","32","14448","14454","10.1039/d5sc03271g","","x-ray","1.54178","CuKα","","0.077","0.0722","","","0.2028","0.2094","","","","","","1.037","","","","has coordinates,has disorder","302494","2025-10-06","07:38:43",""
"1575103","40.459","0.004","18.6423","0.0018","33.242","0.004","90","","95.13","0.006","90","","24972","5","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C110.6 H139.3 N6 Na4 O38.05 Si2 -","- C102 H120 N6 Na4 O35 Si2 -","- C816 H960 N48 Na32 O280 Si16 -","8","1","","Guan, Yu-Tao; Ji, Heng; Yang, Ju; Yu, Sai-Sai; Liu, Ming","Construction of helicates based on six-coordinated silicon centres.","Chemical science","2025","16","32","14448","14454","10.1039/d5sc03271g","","x-ray","1.54178","CuKα","","0.2424","0.1768","","","0.3603","0.3869","","","","","","1.061","","","","has coordinates,has disorder","302494","2025-10-06","07:38:43",""
"1575104","26.7856","0.0007","22.6021","0.0007","23.289","0.0006","90","","113.954","0.002","90","","12885.1","0.7","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C233 H311 N12 Na8 O66.5 Si4 -","- C179 H176 N12 Na8 O53 Si4 -","- C358 H352 N24 Na16 O106 Si8 -","2","0.5","","Guan, Yu-Tao; Ji, Heng; Yang, Ju; Yu, Sai-Sai; Liu, Ming","Construction of helicates based on six-coordinated silicon centres.","Chemical science","2025","16","32","14448","14454","10.1039/d5sc03271g","","x-ray","1.54178","CuKα","","0.1571","0.1213","","","0.2793","0.2992","","","","","","1.012","","","","has coordinates,has disorder","302494","2025-10-06","07:38:43",""
"1575105","20.0833","0.0007","21.0558","0.0007","24.167","0.0008","97.617","0.002","111.2","0.002","91.323","0.002","9415.9","0.6","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C88 H61.5 N6 Na4 O28.5 Si2 -","- C83.5 H74.5 N6 Na4 O27 Si2 -","- C334 H298 N24 Na16 O108 Si8 -","4","2","","Guan, Yu-Tao; Ji, Heng; Yang, Ju; Yu, Sai-Sai; Liu, Ming","Construction of helicates based on six-coordinated silicon centres.","Chemical science","2025","16","32","14448","14454","10.1039/d5sc03271g","","x-ray","1.54178","CuKα","","0.1624","0.0976","","","0.2192","0.2489","","","","","","1.041","","","","has coordinates","302494","2025-10-06","07:38:43",""
"1575109","18.6571","0.0008","16.184","0.0007","7.4554","0.0003","90","","91.619","0.002","90","","2250.23","0.16","273.15","","273.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C31 H20 N2 -","- C31 H20 N2 -","- C124 H80 N8 -","4","1","","Zhang, Li; Ma, Chenglin; Wang, Xin; Zhou, Yannan; Song, Jingru; Sun, Mizhen; Sun, Qikun; Zhang, Shi-Tong; Yang, Wenjun; Xue, Shanfeng","Efficient near-ultraviolet (NUV) electroluminescence based on a benzonitrile acceptor HLCT material with balanced carrier mobilities and high color purity.","Chemical science","2025","16","32","14478","14484","10.1039/d5sc03458b","","","1.54178","CuKα","","0.0684","0.0541","","","0.1379","0.1457","","","","","","1.061","","","","has coordinates","302490","2025-10-06","07:37:25",""
"1575110","8.147","","9.625","","16.714","","97.07","","100.55","","113.8","","1150.29","","273.15","","273.15","","","","","","","","","3","P -1","-P 1","2","","","","- C31 H22 N2 -","- C31 H22 N2 -","- C62 H44 N4 -","2","1","","Zhang, Li; Ma, Chenglin; Wang, Xin; Zhou, Yannan; Song, Jingru; Sun, Mizhen; Sun, Qikun; Zhang, Shi-Tong; Yang, Wenjun; Xue, Shanfeng","Efficient near-ultraviolet (NUV) electroluminescence based on a benzonitrile acceptor HLCT material with balanced carrier mobilities and high color purity.","Chemical science","2025","16","32","14478","14484","10.1039/d5sc03458b","","","1.54178","CuKα","","0.1108","0.0799","","","0.2338","0.2713","","","","","","1.032","","","","has coordinates","302490","2025-10-06","07:37:25",""
"1575122","22.58","0.003","12.2624","0.0016","16.199","0.002","90","","94.048","0.005","90","","4474.1","1","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C55 H61 Br N2 P2 -","- C48 H45 Br N2 P2 -","- C192 H180 Br4 N8 P8 -","4","1","","Meyer, Fabio; Siumbeli, Arina; Dostál, Libor; Hupf, Emanuel; Beckmann, Jens","Nature of the heavy formal double bonds As[double bond, length as m-dash]Ch, Sb[double bond, length as m-dash]Ch and Bi[double bond, length as m-dash]Ch (Ch = S, Se, Te) in NCN-pincer supported arsinidene, stibinidene and bismuthinidene chalcogenides.","Chemical science","2025","16","35","16232","16239","10.1039/d5sc03320a","","","0.71073","MoKα","","0.0403","0.035","","","0.0966","0.1","","","","","","1.072","","","","has coordinates","302530","2025-10-06","07:50:54",""
"1575123","14.8002","0.0007","19.5276","0.0009","18.1091","0.0008","90","","91.085","0.002","90","","5232.8","0.4","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C54 H59 Al As Cl5 N2 P2 -","- C48 H45 Al As Cl5 N2 P2 -","- C192 H180 Al4 As4 Cl20 N8 P8 -","4","1","","Meyer, Fabio; Siumbeli, Arina; Dostál, Libor; Hupf, Emanuel; Beckmann, Jens","Nature of the heavy formal double bonds As[double bond, length as m-dash]Ch, Sb[double bond, length as m-dash]Ch and Bi[double bond, length as m-dash]Ch (Ch = S, Se, Te) in NCN-pincer supported arsinidene, stibinidene and bismuthinidene chalcogenides.","Chemical science","2025","16","35","16232","16239","10.1039/d5sc03320a","","","0.71073","MoKα","","0.0726","0.0587","","","0.1657","0.1732","","","","","","1.061","","","","has coordinates","302530","2025-10-06","07:50:55",""
"1575124","10.682","0.004","18.781","0.009","22.801","0.01","90","","90.795","0.018","90","","4574","3","107","","107","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C51 H51 Cl2 N2 O P2 Sb -","- C51 H51 Cl2 N2 O P2 Sb -","- C204 H204 Cl8 N8 O4 P8 Sb4 -","4","1","","Meyer, Fabio; Siumbeli, Arina; Dostál, Libor; Hupf, Emanuel; Beckmann, Jens","Nature of the heavy formal double bonds As[double bond, length as m-dash]Ch, Sb[double bond, length as m-dash]Ch and Bi[double bond, length as m-dash]Ch (Ch = S, Se, Te) in NCN-pincer supported arsinidene, stibinidene and bismuthinidene chalcogenides.","Chemical science","2025","16","35","16232","16239","10.1039/d5sc03320a","","","0.71073","MoKα","","0.0548","0.041","","","0.077","0.0817","","","","","","1.064","","","","has coordinates","302530","2025-10-06","07:50:56",""
"1575125","11.0961","0.0003","18.1134","0.0004","22.978","0.0006","90","","101.282","0.001","90","","4529.1","0.2","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C52 H53 N2 O P2 Sb Se -","- C52 H53 N2 O P2 Sb Se -","- C208 H212 N8 O4 P8 Sb4 Se4 -","4","1","","Meyer, Fabio; Siumbeli, Arina; Dostál, Libor; Hupf, Emanuel; Beckmann, Jens","Nature of the heavy formal double bonds As[double bond, length as m-dash]Ch, Sb[double bond, length as m-dash]Ch and Bi[double bond, length as m-dash]Ch (Ch = S, Se, Te) in NCN-pincer supported arsinidene, stibinidene and bismuthinidene chalcogenides.","Chemical science","2025","16","35","16232","16239","10.1039/d5sc03320a","","","0.71073","MoKα","","0.0231","0.0208","","","0.0506","0.0517","","","","","","1.027","","","","has coordinates","302530","2025-10-06","07:50:56",""
"1575126","11.017","0.005","18.037","0.008","27.534","0.012","90","","90","","90","","5471","4","100","","100","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C56 H61 Al Cl5 N2 O2 P2 Sb -","- C52 H53 Al Cl5 N2 O P2 Sb -","- C208 H212 Al4 Cl20 N8 O4 P8 Sb4 -","4","1","","Meyer, Fabio; Siumbeli, Arina; Dostál, Libor; Hupf, Emanuel; Beckmann, Jens","Nature of the heavy formal double bonds As[double bond, length as m-dash]Ch, Sb[double bond, length as m-dash]Ch and Bi[double bond, length as m-dash]Ch (Ch = S, Se, Te) in NCN-pincer supported arsinidene, stibinidene and bismuthinidene chalcogenides.","Chemical science","2025","16","35","16232","16239","10.1039/d5sc03320a","","","0.71073","MoKα","","0.0663","0.0527","","","0.0969","0.1021","","","","","","1.031","","","","has coordinates","302530","2025-10-06","07:50:56",""
"1575127","24.7633","0.0006","16.3853","0.0004","26.216","0.0004","90","","90","","90","","10637.2","0.4","100","","100","","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C55 H59 Al Cl3 N2 O1.75 P2 Sb -","- C55 H59 Al Cl3 N2 O1.75 P2 Sb -","- C440 H472 Al8 Cl24 N16 O14 P16 Sb8 -","8","1","","Meyer, Fabio; Siumbeli, Arina; Dostál, Libor; Hupf, Emanuel; Beckmann, Jens","Nature of the heavy formal double bonds As[double bond, length as m-dash]Ch, Sb[double bond, length as m-dash]Ch and Bi[double bond, length as m-dash]Ch (Ch = S, Se, Te) in NCN-pincer supported arsinidene, stibinidene and bismuthinidene chalcogenides.","Chemical science","2025","16","35","16232","16239","10.1039/d5sc03320a","","","0.71073","MoKα","","0.0802","0.0573","","","0.1301","0.1379","","","","","","1.084","","","","has coordinates,has disorder","302530","2025-10-06","07:50:56",""
"1575128","37.562","0.002","13.2376","0.0006","20.6432","0.0011","90","","104.313","0.002","90","","9945.8","0.9","100","","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C58 H68 B N2 O2.5 P2 Sb -","- C48 H48 B N2 P2 Sb -","- C384 H384 B8 N16 P16 Sb8 -","8","1","","Meyer, Fabio; Siumbeli, Arina; Dostál, Libor; Hupf, Emanuel; Beckmann, Jens","Nature of the heavy formal double bonds As[double bond, length as m-dash]Ch, Sb[double bond, length as m-dash]Ch and Bi[double bond, length as m-dash]Ch (Ch = S, Se, Te) in NCN-pincer supported arsinidene, stibinidene and bismuthinidene chalcogenides.","Chemical science","2025","16","35","16232","16239","10.1039/d5sc03320a","","","0.71073","MoKα","","0.0499","0.0378","","","0.1058","0.1154","","","","","","1.039","","","","has coordinates","302530","2025-10-06","07:50:56",""
"1575129","10.1844","0.0007","15.2867","0.0012","34.707","0.002","90","","97.585","0.002","90","","5356.1","0.6","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C60 H69 Bi N2 O3 P2 Te -","- C60 H69 Bi N2 O3 P2 Te -","- C240 H276 Bi4 N8 O12 P8 Te4 -","4","1","","Meyer, Fabio; Siumbeli, Arina; Dostál, Libor; Hupf, Emanuel; Beckmann, Jens","Nature of the heavy formal double bonds As[double bond, length as m-dash]Ch, Sb[double bond, length as m-dash]Ch and Bi[double bond, length as m-dash]Ch (Ch = S, Se, Te) in NCN-pincer supported arsinidene, stibinidene and bismuthinidene chalcogenides.","Chemical science","2025","16","35","16232","16239","10.1039/d5sc03320a","","x-ray","0.71073","MoKα","","0.0393","0.034","","","0.07","0.0716","","","","","","1.133","","","","has coordinates,has disorder","302530","2025-10-06","07:50:56",""
"1575130","12.1739","0.0004","12.6388","0.0005","36.2781","0.0012","88.698","0.001","81.1","0.001","64.73","0.001","4981.1","0.3","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C56 H63 Cl Mg N2 O2 P2 -","- C56 H63 Cl Mg N2 O2 P2 -","- C224 H252 Cl4 Mg4 N8 O8 P8 -","4","2","","Meyer, Fabio; Siumbeli, Arina; Dostál, Libor; Hupf, Emanuel; Beckmann, Jens","Nature of the heavy formal double bonds As[double bond, length as m-dash]Ch, Sb[double bond, length as m-dash]Ch and Bi[double bond, length as m-dash]Ch (Ch = S, Se, Te) in NCN-pincer supported arsinidene, stibinidene and bismuthinidene chalcogenides.","Chemical science","2025","16","35","16232","16239","10.1039/d5sc03320a","","","0.71073","MoKα","","0.0621","0.0471","","","0.1215","0.1295","","","","","","1.058","","","","has coordinates,has disorder","302530","2025-10-06","07:50:57",""
"1575131","16.2659","0.0014","19.044","0.0015","16.1671","0.0014","90","","110.717","0.003","90","","4684.2","0.7","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48.5 H46 Bi Cl3 N2 P2 -","- C48 H45 Bi Cl2 N2 P2 -","- C192 H180 Bi4 Cl8 N8 P8 -","4","1","","Meyer, Fabio; Siumbeli, Arina; Dostál, Libor; Hupf, Emanuel; Beckmann, Jens","Nature of the heavy formal double bonds As[double bond, length as m-dash]Ch, Sb[double bond, length as m-dash]Ch and Bi[double bond, length as m-dash]Ch (Ch = S, Se, Te) in NCN-pincer supported arsinidene, stibinidene and bismuthinidene chalcogenides.","Chemical science","2025","16","35","16232","16239","10.1039/d5sc03320a","","","0.71073","MoKα","","0.0502","0.0336","","","0.0799","0.0863","","","","","","1.05","","","","has coordinates","302530","2025-10-06","07:50:58",""
"1575132","12.9688","0.0009","18.3595","0.0012","26.9379","0.0016","106.082","0.002","93.732","0.002","105.763","0.002","5862.5","0.7","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C57 H51 As3 Cl6 F3 N2 O P2 -","- C51 H47 As3 Cl6 F N2 O P2 -","- C204 H188 As12 Cl24 F4 N8 O4 P8 -","4","2","","Meyer, Fabio; Siumbeli, Arina; Dostál, Libor; Hupf, Emanuel; Beckmann, Jens","Nature of the heavy formal double bonds As[double bond, length as m-dash]Ch, Sb[double bond, length as m-dash]Ch and Bi[double bond, length as m-dash]Ch (Ch = S, Se, Te) in NCN-pincer supported arsinidene, stibinidene and bismuthinidene chalcogenides.","Chemical science","2025","16","35","16232","16239","10.1039/d5sc03320a","","","0.71073","MoKα","","0.0837","0.0451","","","0.1023","0.115","","","","","","1.022","","","","has coordinates","302530","2025-10-06","07:50:58",""
"1575141","18.7562","0.001","10.3796","0.0006","34.981","0.002","90","","90","","90","","6810.2","0.7","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H38 O5 P2 Pd -","- C40 H38 O5 P2 Pd -","- C320 H304 O40 P16 Pd8 -","8","2","","Bouley, Bailey S.; Bae, Dae Young; Chakrabarti, Sagnik; Rosen, Mari; Kennedy, Robert D.; Mirica, Liviu M.","Insights into the mechanism of active catalyst generation for the Pd<sup>II</sup>(acac)<sub>2</sub>/PPh<sub>3</sub> system in the context of telomerization of 1,3-butadiene.","Chemical science","2025","16","34","15486","15498","10.1039/d5sc02171e","","","0.71073","MoKα","","0.1138","0.073","","","0.1588","0.1866","","","","","","1.042","","","","has coordinates","302549","2025-10-06","08:01:03",""
"1575142","10.9495","0.0004","15.9935","0.0006","16.2962","0.0006","90","","99.235","0.001","90","","2816.81","0.18","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H33 O6 P Pd -","- C30 H33 O6 P Pd -","- C120 H132 O24 P4 Pd4 -","4","1","","Bouley, Bailey S.; Bae, Dae Young; Chakrabarti, Sagnik; Rosen, Mari; Kennedy, Robert D.; Mirica, Liviu M.","Insights into the mechanism of active catalyst generation for the Pd<sup>II</sup>(acac)<sub>2</sub>/PPh<sub>3</sub> system in the context of telomerization of 1,3-butadiene.","Chemical science","2025","16","34","15486","15498","10.1039/d5sc02171e","","","0.71073","MoKα","","0.0483","0.0333","","","0.06","0.0664","","","","","","1.053","","","","has coordinates","302549","2025-10-06","08:01:04",""
"1575143","13.697","0.0003","9.2164","0.0002","18.8878","0.0004","90","","106.9","","90","","2281.37","0.09","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H25 O4 P Pd -","- C25 H25 O4 P Pd -","- C100 H100 O16 P4 Pd4 -","4","1","","Bouley, Bailey S.; Bae, Dae Young; Chakrabarti, Sagnik; Rosen, Mari; Kennedy, Robert D.; Mirica, Liviu M.","Insights into the mechanism of active catalyst generation for the Pd<sup>II</sup>(acac)<sub>2</sub>/PPh<sub>3</sub> system in the context of telomerization of 1,3-butadiene.","Chemical science","2025","16","34","15486","15498","10.1039/d5sc02171e","","","0.71073","MoKα","","0.0175","0.0166","","","0.0405","0.041","","","","","","1.068","","","","has coordinates","302549","2025-10-06","08:01:04",""
"1575144","7.281","0.0015","14.499","0.003","15.355","0.003","104.6","0.03","99.89","0.03","90.32","0.03","1543.3","0.6","130","","130","","","","","","","","","6","P -1","-P 1","2","","","","- C27.5 H30.5 Fe N12 O4.5 Pd -","- C27.5 H30.5 Fe N12 O4.5 Pd -","- C55 H61 Fe2 N24 O9 Pd2 -","2","1","","Chai, Yuqiao; Yang, Yu-Ting; Xue, Jin-Peng","Entanglement of spin transition and structural adaptability: manipulating the slow spin equilibrium by the guest-mediated fine-tuning of elastic frustration.","Chemical science","2025","16","34","15555","15563","10.1039/d5sc01202c","","","0.71073","MoKα","","0.0811","0.0745","","","0.2042","0.2148","","","","","","1.029","","","","has coordinates","302551","2025-10-06","08:01:31",""
"1575145","7.26","0.0015","14.476","0.003","15.344","0.003","104.57","0.03","99.87","0.03","90.32","0.03","1535.6","0.6","85","","85","","","","","","","","","6","P -1","-P 1","2","","","","- C27.5 H30.5 Fe N12 O4.5 Pd -","- C27.5 H30.5 Fe N12 O4.5 Pd -","- C55 H61 Fe2 N24 O9 Pd2 -","2","1","","Chai, Yuqiao; Yang, Yu-Ting; Xue, Jin-Peng","Entanglement of spin transition and structural adaptability: manipulating the slow spin equilibrium by the guest-mediated fine-tuning of elastic frustration.","Chemical science","2025","16","34","15555","15563","10.1039/d5sc01202c","","","0.71073","MoKα","","0.1558","0.1307","","","0.3327","0.3547","","","","","","1.37","","","","has coordinates","302551","2025-10-06","08:01:31",""
"1575146","7.278","0.0015","14.5","0.003","15.347","0.003","104.59","0.03","99.88","0.03","90.32","0.03","1542.1","0.6","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C27.5 H30.5 Fe N12 O4.5 Pd -","- C27.5 H30.5 Fe N12 O4.5 Pd -","- C55 H61 Fe2 N24 O9 Pd2 -","2","1","","Chai, Yuqiao; Yang, Yu-Ting; Xue, Jin-Peng","Entanglement of spin transition and structural adaptability: manipulating the slow spin equilibrium by the guest-mediated fine-tuning of elastic frustration.","Chemical science","2025","16","34","15555","15563","10.1039/d5sc01202c","","","0.71073","MoKα","","0.0826","0.0761","","","0.2091","0.2183","","","","","","1.033","","","","has coordinates,has disorder","302551","2025-10-06","08:01:31",""
"1575147","7.277","0.0015","14.509","0.003","15.381","0.003","104.67","0.03","99.99","0.03","90.32","0.03","1545.1","0.6","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C27.5 H30.5 Fe N12 O4.5 Pd -","- C27.5 H30.5 Fe N12 O4.5 Pd -","- C55 H61 Fe2 N24 O9 Pd2 -","2","1","","Chai, Yuqiao; Yang, Yu-Ting; Xue, Jin-Peng","Entanglement of spin transition and structural adaptability: manipulating the slow spin equilibrium by the guest-mediated fine-tuning of elastic frustration.","Chemical science","2025","16","34","15555","15563","10.1039/d5sc01202c","","","0.71073","MoKα","","0.0748","0.0699","","","0.194","0.2012","","","","","","1.038","","","","has coordinates","302551","2025-10-06","08:01:31",""
"1575148","7.288","0.0015","14.504","0.003","15.422","0.003","104.7","0.03","100.07","0.03","90.33","0.03","1550.4","0.6","190","","190","","","","","","","","","6","P -1","-P 1","2","","","","- C27.5 H30.5 Fe N12 O4.5 Pd -","- C27.5 H30.5 Fe N12 O4.5 Pd -","- C55 H61 Fe2 N24 O9 Pd2 -","2","1","","Chai, Yuqiao; Yang, Yu-Ting; Xue, Jin-Peng","Entanglement of spin transition and structural adaptability: manipulating the slow spin equilibrium by the guest-mediated fine-tuning of elastic frustration.","Chemical science","2025","16","34","15555","15563","10.1039/d5sc01202c","","","0.71073","MoKα","","0.0744","0.0692","","","0.1884","0.1962","","","","","","1.034","","","","has coordinates","302551","2025-10-06","08:01:31",""
"1575149","7.457","0.0015","14.711","0.003","15.442","0.003","104.49","0.03","99.92","0.03","90.28","0.03","1613.5","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C27.5 H30.5 Fe N12 O4.5 Pd -","- C27.5 H30.5 Fe N12 O4.5 Pd -","- C55 H61 Fe2 N24 O9 Pd2 -","2","1","","Chai, Yuqiao; Yang, Yu-Ting; Xue, Jin-Peng","Entanglement of spin transition and structural adaptability: manipulating the slow spin equilibrium by the guest-mediated fine-tuning of elastic frustration.","Chemical science","2025","16","34","15555","15563","10.1039/d5sc01202c","","","0.71073","MoKα","","0.0739","0.0675","","","0.1885","0.1997","","","","","","1.07","","","","has coordinates","302551","2025-10-06","08:01:31",""
"1575150","8.071","0.002","16.12","0.004","26.964","0.008","90","","90","","90","","3508.1","1.6","143","2","143","2","","","","","","","","8","I b a m","-I 2 2c","72","","","","- C7.5 H8 Cu0.25 F1.5 N1.25 O2 P0 S0.5 -","- C7.5 H8 Cu0.25 F1.5 N1.25 O2 S0.5 -","- C120 H128 Cu4 F24 N20 O32 S8 -","16","1","","Zhang, Yuzhe; Higashino, Tomohiro; Namikawa, Keigo; Osterloh, W. Ryan; Imahori, Hiroshi","Molecular engineering of porphyrin dyes and copper complexes for enhanced dye regeneration toward high-performance dye-sensitized solar cells using copper(i/ii) redox shuttles.","Chemical science","2025","16","33","15004","15014","10.1039/d5sc03537f","","","0.71075","MoKα","","0.0597","0.0556","","","0.2083","0.2108","","","","","","1.056","","","","has coordinates,has disorder","302503","2025-10-06","07:41:22",""
"1575151","9.7349","0.0008","11.1899","0.001","15.3441","0.0012","73.793","0.008","74.976","0.007","88.82","0.007","1547.8","0.2","143","2","143","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H32 Cu F6 N4 O4 P -","- C28 H32 Cu F6 N4 O4 P -","- C56 H64 Cu2 F12 N8 O8 P2 -","2","1","","Zhang, Yuzhe; Higashino, Tomohiro; Namikawa, Keigo; Osterloh, W. Ryan; Imahori, Hiroshi","Molecular engineering of porphyrin dyes and copper complexes for enhanced dye regeneration toward high-performance dye-sensitized solar cells using copper(i/ii) redox shuttles.","Chemical science","2025","16","33","15004","15014","10.1039/d5sc03537f","","","0.71073","MoKα","","0.1736","0.1232","","","0.3634","0.3925","","","","","","1.093","","","","has coordinates,has disorder","302503","2025-10-06","07:41:22",""
"1575152","14.6532","0.0004","11.4428","0.0003","16.8771","0.0005","90","","95.086","0.003","90","","2818.7","0.14","153","2","153","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H32 B Cu F4 N4 O4 -","- C28 H32 B Cu F4 N4 O4 -","- C112 H128 B4 Cu4 F16 N16 O16 -","4","1","","Zhang, Yuzhe; Higashino, Tomohiro; Namikawa, Keigo; Osterloh, W. Ryan; Imahori, Hiroshi","Molecular engineering of porphyrin dyes and copper complexes for enhanced dye regeneration toward high-performance dye-sensitized solar cells using copper(i/ii) redox shuttles.","Chemical science","2025","16","33","15004","15014","10.1039/d5sc03537f","","","0.71073","MoKα","","0.0551","0.0453","","","0.1053","0.1104","","","","","","1.065","","","","has coordinates","302503","2025-10-06","07:41:22",""
"1575153","18.3443","0.0004","8.22852","0.00016","13.382","0.0003","90","","90.251","0.002","90","","2019.95","0.07","100","0.2","100","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H33 Ir Mo N3 -","- C16 H33 Ir Mo N3 -","- C64 H132 Ir4 Mo4 N12 -","4","1","","Dubrawski, Zachary; Del Rosal, Iker; Jeanneau, Erwann; Maron, Laurent; Thieuleux, Chloé; Camp, Clément","Synergistic C-H bond activation across molybdenum-iridium multiply bonded complexes: a cascade of transformations.","Chemical science","2025","16","32","14564","14577","10.1039/d5sc03465e","","x-ray","0.71073","MoKα","","0.0646","0.0495","","","0.1114","0.1181","","","","","","1.06","","","","has coordinates,has disorder","302493","2025-10-06","07:38:03",""
"1575154","10.3728","0.0002","11.1282","0.0002","11.9391","0.0002","86.479","0.001","80.478","0.001","80.646","0.001","1340.23","0.04","100.1","0.4","100.1","0.4","","","","","","","","5","P -1","-P 1","2","","","","- C24 H42 Ir2 Mo N2 -","- C24 H42 Ir2 Mo N2 -","- C48 H84 Ir4 Mo2 N4 -","2","1","","Dubrawski, Zachary; Del Rosal, Iker; Jeanneau, Erwann; Maron, Laurent; Thieuleux, Chloé; Camp, Clément","Synergistic C-H bond activation across molybdenum-iridium multiply bonded complexes: a cascade of transformations.","Chemical science","2025","16","32","14564","14577","10.1039/d5sc03465e","","x-ray","0.71073","MoKα","","0.0445","0.0409","","","0.1095","0.1113","","","","","","1.029","","","","has coordinates","302493","2025-10-06","07:38:04",""
"1575155","10.4733","0.0002","14.127","0.0003","15.97","0.0003","90","","104.7","0.002","90","","2285.52","0.08","100.02","0.16","100.02","0.16","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H33 Ir Mo N3 O -","- C19 H33 Ir Mo N3 O -","- C76 H132 Ir4 Mo4 N12 O4 -","4","1","","Dubrawski, Zachary; Del Rosal, Iker; Jeanneau, Erwann; Maron, Laurent; Thieuleux, Chloé; Camp, Clément","Synergistic C-H bond activation across molybdenum-iridium multiply bonded complexes: a cascade of transformations.","Chemical science","2025","16","32","14564","14577","10.1039/d5sc03465e","","x-ray","0.71073","MoKα","","0.0442","0.0337","","","0.0828","0.088","","","","","","1.038","","","","has coordinates","302493","2025-10-06","07:38:04",""
"1575156","10.568","0.0002","14.3581","0.0002","17.6451","0.0002","100.148","0.001","101.617","0.001","98.071","0.001","2538.22","0.07","100","0.3","100","0.3","","","","","","","","6","P -1","-P 1","2","","","","- C21 H42 Ir Mo N4 O -","- C21 H42 Ir Mo N4 O -","- C84 H168 Ir4 Mo4 N16 O4 -","4","2","","Dubrawski, Zachary; Del Rosal, Iker; Jeanneau, Erwann; Maron, Laurent; Thieuleux, Chloé; Camp, Clément","Synergistic C-H bond activation across molybdenum-iridium multiply bonded complexes: a cascade of transformations.","Chemical science","2025","16","32","14564","14577","10.1039/d5sc03465e","","x-ray","0.71073","MoKα","","0.0293","0.0265","","","0.0626","0.0635","","","","","","1.029","","","","has coordinates,has disorder","302493","2025-10-06","07:38:04",""
"1575157","9.9756","0.0003","11.6881","0.0003","15.1321","0.0004","90","","90","","90","","1764.34","0.08","100","0.3","100","0.3","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C7 H16 N2 O -","- C7 H16 N2 O -","- C56 H128 N16 O8 -","8","1","","Dubrawski, Zachary; Del Rosal, Iker; Jeanneau, Erwann; Maron, Laurent; Thieuleux, Chloé; Camp, Clément","Synergistic C-H bond activation across molybdenum-iridium multiply bonded complexes: a cascade of transformations.","Chemical science","2025","16","32","14564","14577","10.1039/d5sc03465e","","x-ray","1.54184","CuKα","","0.0522","0.0418","","","0.103","0.1086","","","","","","1.081","","","","has coordinates","302493","2025-10-06","07:38:04",""
"1575158","10.9967","0.0002","10.9728","0.0002","12.1515","0.0002","90","","90.354","0.002","90","","1466.23","0.04","150.01","0.1","150.01","0.1","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C26 H42 Ir2 Mo N2 O4 -","- C26 H42 Ir2 Mo N2 O4 -","- C52 H84 Ir4 Mo2 N4 O8 -","2","0.5","","Dubrawski, Zachary; Del Rosal, Iker; Jeanneau, Erwann; Maron, Laurent; Thieuleux, Chloé; Camp, Clément","Synergistic C-H bond activation across molybdenum-iridium multiply bonded complexes: a cascade of transformations.","Chemical science","2025","16","32","14564","14577","10.1039/d5sc03465e","","x-ray","0.71073","MoKα","","0.0448","0.0352","","","0.0638","0.0668","","","","","","1.028","","","","has coordinates,has disorder","302493","2025-10-06","07:38:04",""
"1575159","10.3416","0.0002","18.4312","0.0004","14.9177","0.0003","90","","104.443","0.002","90","","2753.57","0.1","100","0.4","100","0.4","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H45 Ir Mo N4 O2 -","- C24 H45 Ir Mo N4 O2 -","- C96 H180 Ir4 Mo4 N16 O8 -","4","1","","Dubrawski, Zachary; Del Rosal, Iker; Jeanneau, Erwann; Maron, Laurent; Thieuleux, Chloé; Camp, Clément","Synergistic C-H bond activation across molybdenum-iridium multiply bonded complexes: a cascade of transformations.","Chemical science","2025","16","32","14564","14577","10.1039/d5sc03465e","","x-ray","0.71073","MoKα","","0.0617","0.052","","","0.0988","0.101","","","","","","1.253","","","","has coordinates","302493","2025-10-06","07:38:04",""
"1575160","5.8212","0.0002","14.194","0.0004","14.7214","0.0005","69.915","0.003","81.048","0.002","86.989","0.002","1128.48","0.07","149.97","0.1","149.97","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C28 H22 Br N O -","- C28 H22 Br N O -","- C56 H44 Br2 N2 O2 -","2","1","","Liu, Tu-Ming; Zhu, Lin-Yuan; Qi, Min-Hao; Li, Si-Jia; Wang, Xiao-Jian; Xu, Jia-Rui; Han, Bing","Photosensitized diradical rearrangement of alkenyl oxime ethers towards amino-featured oxiranes: reaction, mechanism, and structural prediction.","Chemical science","2025","16","32","14811","14821","10.1039/d5sc03379a","","x-ray","1.54184","CuKα","","0.0492","0.0433","","","0.1222","0.1255","","","","","","1.029","","","","has coordinates","302491","2025-10-06","07:37:33",""
"1575161","6.6576","0.0002","18.5752","0.0005","9.4128","0.0002","90","","100.585","0.001","90","","1144.24","0.05","301","","301","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H7 N3 O12 -","- C7 H7 N3 O12 -","- C28 H28 N12 O48 -","4","1","","Li, Huan; Zhou, Qi; Hou, Tianjiao; Yi, Zhenxin; Wang, Guixiang; Zhu, Long; Gao, Yuan; Zhang, Yu; Luo, Jun","Impact of stereochemistry in 3D energetic materials science: a case based on peripheral editing of the 2,4,10-trioxaadamantane backbone.","Chemical science","2025","16","34","15587","15596","10.1039/d5sc02800k","","","0.71073","MoKα","","0.0451","0.0337","","","0.0848","0.0979","","","","","","1.0715","","","","has coordinates","302548","2025-10-06","08:00:45",""
"1575162","8.73","0.007","8.696","0.007","15.978","0.013","90","","101.351","0.009","90","","1189.3","1.7","296.15","","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H7 N3 O12 -","- C7 H7 N3 O12 -","- C28 H28 N12 O48 -","4","1","","Li, Huan; Zhou, Qi; Hou, Tianjiao; Yi, Zhenxin; Wang, Guixiang; Zhu, Long; Gao, Yuan; Zhang, Yu; Luo, Jun","Impact of stereochemistry in 3D energetic materials science: a case based on peripheral editing of the 2,4,10-trioxaadamantane backbone.","Chemical science","2025","16","34","15587","15596","10.1039/d5sc02800k","","","0.71073","MoKα","","0.0411","0.0352","","","0.0903","0.0946","","","","","","1.05","","","","has coordinates","302548","2025-10-06","08:00:46",""
"1575163","6.0238","0.0003","8.8265","0.0004","12.058","0.0007","69.746","0.002","89.688","0.002","72.481","0.002","570.07","0.05","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C7 H7 N3 O12 -","- C7 H7 N3 O12 -","- C14 H14 N6 O24 -","2","1","","Li, Huan; Zhou, Qi; Hou, Tianjiao; Yi, Zhenxin; Wang, Guixiang; Zhu, Long; Gao, Yuan; Zhang, Yu; Luo, Jun","Impact of stereochemistry in 3D energetic materials science: a case based on peripheral editing of the 2,4,10-trioxaadamantane backbone.","Chemical science","2025","16","34","15587","15596","10.1039/d5sc02800k","","","0.71073","MoKα","","0.0374","0.0345","","","0.09","0.0927","","","","","","1.034","","","","has coordinates","302548","2025-10-06","08:00:46",""
"1575164","15.062","0.005","5.9269","0.0016","14.178","0.004","90","","113.806","0.01","90","","1158","0.6","293.15","","293.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H7 N3 O12 -","- C7 H7 N3 O12 -","- C28 H28 N12 O48 -","4","1","","Li, Huan; Zhou, Qi; Hou, Tianjiao; Yi, Zhenxin; Wang, Guixiang; Zhu, Long; Gao, Yuan; Zhang, Yu; Luo, Jun","Impact of stereochemistry in 3D energetic materials science: a case based on peripheral editing of the 2,4,10-trioxaadamantane backbone.","Chemical science","2025","16","34","15587","15596","10.1039/d5sc02800k","","","0.71073","MoKα","","0.1008","0.0594","","","0.1104","0.1294","","","","","","1.103","","","","has coordinates","302548","2025-10-06","08:00:46",""
"1575165","8.3535","0.0004","9.1128","0.0005","15.6114","0.0008","90","","90","","90","","1188.4","0.11","299","2","299","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 H6 N4 O13 -","- C7 H6 N4 O13 -","- C28 H24 N16 O52 -","4","1","","Li, Huan; Zhou, Qi; Hou, Tianjiao; Yi, Zhenxin; Wang, Guixiang; Zhu, Long; Gao, Yuan; Zhang, Yu; Luo, Jun","Impact of stereochemistry in 3D energetic materials science: a case based on peripheral editing of the 2,4,10-trioxaadamantane backbone.","Chemical science","2025","16","34","15587","15596","10.1039/d5sc02800k","","","0.71073","MoKα","","0.0312","0.0267","","","0.0655","0.0668","","","","","","1.059","","","","has coordinates","302548","2025-10-06","08:00:46",""
"1575166","7.1632","0.0009","12.3721","0.0013","13.9868","0.0018","90","","92.234","0.005","90","","1238.6","0.3","294.8","","294.8","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H6 N4 O13 -","- C7 H6 N4 O13 -","- C28 H24 N16 O52 -","4","1","","Li, Huan; Zhou, Qi; Hou, Tianjiao; Yi, Zhenxin; Wang, Guixiang; Zhu, Long; Gao, Yuan; Zhang, Yu; Luo, Jun","Impact of stereochemistry in 3D energetic materials science: a case based on peripheral editing of the 2,4,10-trioxaadamantane backbone.","Chemical science","2025","16","34","15587","15596","10.1039/d5sc02800k","","","0.71073","MoKα","","0.0491","0.0381","","","0.0906","0.0981","","","","","","1.04","","","","has coordinates","302548","2025-10-06","08:00:46",""
"1575167","8.5994","0.0004","7.2097","0.0003","20.1577","0.0009","90","","92.167","0.001","90","","1248.87","0.1","296.15","","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H6 N4 O13 -","- C7 H6 N4 O13 -","- C28 H24 N16 O52 -","4","1","","Li, Huan; Zhou, Qi; Hou, Tianjiao; Yi, Zhenxin; Wang, Guixiang; Zhu, Long; Gao, Yuan; Zhang, Yu; Luo, Jun","Impact of stereochemistry in 3D energetic materials science: a case based on peripheral editing of the 2,4,10-trioxaadamantane backbone.","Chemical science","2025","16","34","15587","15596","10.1039/d5sc02800k","","","0.71073","MoKα","","0.0628","0.0408","","","0.0879","0.0982","","","","","","1.062","","","","has coordinates","302548","2025-10-06","08:00:46",""
"1575168","6.4181","0.0001","14.161","0.0003","13.2275","0.0003","90","","101.423","0.002","90","","1178.39","0.04","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C13 H13 N5 -","- C13 H13 N5 -","- C52 H52 N20 -","4","1","","Yu, Xuanchi; Zhang, Chenyu; Dong, Dongfang; Liu, Bing; Wang, Dali; Li, Tao","Visible-light-responsive indoleazopyrazole photoswitches: dual enhancement of redshift and half-life by ester modification at the <i>ortho</i> position.","Chemical science","2025","16","34","15620","15627","10.1039/d5sc03275j","","","1.54184","CuKα","","0.049","0.0436","","","0.1249","0.1286","","","","","","1.091","","","","has coordinates","302542","2025-10-06","07:58:16",""
"1575169","5.6017","0.0001","8.7826","0.0002","23.5685","0.0005","90","","90","","90","","1159.51","0.04","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H13 N5 -","- C13 H13 N5 -","- C52 H52 N20 -","4","1","","Yu, Xuanchi; Zhang, Chenyu; Dong, Dongfang; Liu, Bing; Wang, Dali; Li, Tao","Visible-light-responsive indoleazopyrazole photoswitches: dual enhancement of redshift and half-life by ester modification at the <i>ortho</i> position.","Chemical science","2025","16","34","15620","15627","10.1039/d5sc03275j","","","1.54184","CuKα","","0.0407","0.0379","","","0.1021","0.1039","","","","","","1.071","","","","has coordinates","302542","2025-10-06","07:58:16",""
"1575170","7.0795","0.0001","13.8474","0.0003","12.6001","0.0003","90","","101.205","0.002","90","","1211.68","0.04","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C13 H13 N5 -","- C13 H13 N5 -","- C52 H52 N20 -","4","2","","Yu, Xuanchi; Zhang, Chenyu; Dong, Dongfang; Liu, Bing; Wang, Dali; Li, Tao","Visible-light-responsive indoleazopyrazole photoswitches: dual enhancement of redshift and half-life by ester modification at the <i>ortho</i> position.","Chemical science","2025","16","34","15620","15627","10.1039/d5sc03275j","","","1.54184","CuKα","","0.0458","0.0423","","","0.1002","0.1025","","","","","","0.859","","","","has coordinates","302542","2025-10-06","07:58:16",""
"1575171","6.3008","0.0001","7.7125","0.0002","15.2437","0.0003","88.117","0.002","80.529","0.002","83.044","0.002","725.23","0.03","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H15 N5 O2 -","- C15 H15 N5 O2 -","- C30 H30 N10 O4 -","2","1","","Yu, Xuanchi; Zhang, Chenyu; Dong, Dongfang; Liu, Bing; Wang, Dali; Li, Tao","Visible-light-responsive indoleazopyrazole photoswitches: dual enhancement of redshift and half-life by ester modification at the <i>ortho</i> position.","Chemical science","2025","16","34","15620","15627","10.1039/d5sc03275j","","","1.54184","CuKα","","0.033","0.0321","","","0.0844","0.0852","","","","","","1.044","","","","has coordinates","302542","2025-10-06","07:58:16",""
"1575172","8.1945","0.0002","16.3667","0.0003","10.3703","0.0002","90","","92.658","0.002","90","","1389.34","0.05","122.99","0.1","122.99","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3-methyl-N,N-diphenylpyridin-4-amine","","- C18 H16 N2 -","- C18 H16 N2 -","- C72 H64 N8 -","4","1","","McDonald, Peter W.; Goerigk, Lars; Ritchie, Chris","Planarisation or a twist? Using steric engineering to unlock the origin of mechanofluorochromic red-shifts.","Chemical science","2025","16","34","15320","15332","10.1039/d5sc04257g","","x-ray","1.54184","CuKα","","0.0493","0.0445","","","0.1175","0.1218","","","","","","1.077","","","","has coordinates","302546","2025-10-06","07:59:38",""
"1575173","9.977","0.0001","8.3959","0.0001","13.3658","0.0002","90","","92.807","0.001","90","","1118.25","0.02","123","0.1","123","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-(3,5-dimethylpyridin-1-ium-1-yl)-4,4,5,5-tetrafluoro-3-oxocyclopent-1-en-1-olate","","- C12 H9 F4 N O2 -","- C12 H9 F4 N O2 -","- C48 H36 F16 N4 O8 -","4","1","","McDonald, Peter W.; Goerigk, Lars; Ritchie, Chris","Planarisation or a twist? Using steric engineering to unlock the origin of mechanofluorochromic red-shifts.","Chemical science","2025","16","34","15320","15332","10.1039/d5sc04257g","","x-ray","1.54184","CuKα","","0.0539","0.0528","","","0.1482","0.1492","","","","","","1.057","","","","has coordinates","302546","2025-10-06","07:59:39",""
"1575174","15.31","0.18","7.35","0.08","17.3","0.09","90","","98.5","0.2","90","","1925","3","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-(4-(diphenylamino)-3-methylpyridin-1-ium-1-yl)-4,4,5,5-tetrafluoro-3-oxocyclopent-1-en-1-olate","","- C23 H16 F4 N2 O2 -","- C23 H16 F4 N2 O2 -","- C92 H64 F16 N8 O8 -","4","1","","McDonald, Peter W.; Goerigk, Lars; Ritchie, Chris","Planarisation or a twist? Using steric engineering to unlock the origin of mechanofluorochromic red-shifts.","Chemical science","2025","16","34","15320","15332","10.1039/d5sc04257g","","","0.0251","","","0.1763","0.1372","","","0.2986","0.3134","","","","","","1.199","","","","has coordinates","302546","2025-10-06","07:59:39",""
"1575175","15.5","0.2","7.4","0.13","17.33","0.11","90","","97.8","0.3","90","","1969","4","294","","294","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-(4-(diphenylamino)-3-methylpyridin-1-ium-1-yl)-4,4,5,5-tetrafluoro-3-oxocyclopent-1-en-1-olate","","- C23 H16 F4 N2 O2 -","- C23 H16 F4 N2 O2 -","- C92 H64 F16 N8 O8 -","4","1","","McDonald, Peter W.; Goerigk, Lars; Ritchie, Chris","Planarisation or a twist? Using steric engineering to unlock the origin of mechanofluorochromic red-shifts.","Chemical science","2025","16","34","15320","15332","10.1039/d5sc04257g","","","0.0251","","","0.1832","0.1347","","","0.3165","0.3409","","","","","","1.089","","","","has coordinates","302546","2025-10-06","07:59:39",""
"1575176","11.0644","0.0002","15.0753","0.0004","16.1709","0.0004","89.004","0.002","81.638","0.002","89.699","0.002","2668.2","0.11","292.45","0.1","292.45","0.1","","","","","","","","5","P -1","-P 1","2","","2-(4-(9H-carbazol-9-yl)pyridin-1-ium-1-yl)-4,4,5,5-tetrafluoro-3-oxocyclopent-1-en-1-olate","","- C66 H36 F12 N6 O6 -","- C66 H36 F12 N6 O6 -","- C132 H72 F24 N12 O12 -","2","1","","McDonald, Peter W.; Goerigk, Lars; Ritchie, Chris","Planarisation or a twist? Using steric engineering to unlock the origin of mechanofluorochromic red-shifts.","Chemical science","2025","16","34","15320","15332","10.1039/d5sc04257g","","x-ray","1.54184","CuKα","","0.0632","0.0488","","","0.1269","0.135","","","","","","1.065","","","","has coordinates,has disorder","302546","2025-10-06","07:59:39",""
"1575177","10.8897","0.0002","15.0104","0.0002","16.1121","0.0002","89.101","0.001","81.495","0.001","88.995","0.001","2604.07","0.07","122.99","0.1","122.99","0.1","","","","","","","","5","P -1","-P 1","2","","2-(4-(9H-carbazol-9-yl)pyridin-1-ium-1-yl)-4,4,5,5-tetrafluoro-3-oxocyclopent-1-en-1-olate","","- C66 H36 F12 N6 O6 -","- C66 H36 F12 N6 O6 -","- C132 H72 F24 N12 O12 -","2","1","","McDonald, Peter W.; Goerigk, Lars; Ritchie, Chris","Planarisation or a twist? Using steric engineering to unlock the origin of mechanofluorochromic red-shifts.","Chemical science","2025","16","34","15320","15332","10.1039/d5sc04257g","","x-ray","1.54184","CuKα","","0.057","0.0494","","","0.1122","0.1168","","","","","","1.032","","","","has coordinates,has disorder","302546","2025-10-06","07:59:39",""
"1575178","15.3845","0.0004","7.331","0.00015","17.2664","0.0003","90","","97.766","0.002","90","","1929.51","0.07","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-(4-(diphenylamino)-3-methylpyridin-1-ium-1-yl)-4,4,5,5-tetrafluoro-3-oxocyclopent-1-en-1-olate","","- C23 H16 F4 N2 O2 -","- C23 H16 F4 N2 O2 -","- C92 H64 F16 N8 O8 -","4","1","","McDonald, Peter W.; Goerigk, Lars; Ritchie, Chris","Planarisation or a twist? Using steric engineering to unlock the origin of mechanofluorochromic red-shifts.","Chemical science","2025","16","34","15320","15332","10.1039/d5sc04257g","","x-ray","1.54184","CuKα","","0.0633","0.0525","","","0.1384","0.1502","","","","","","1.113","","","","has coordinates","302546","2025-10-06","07:59:39",""
"1575179","11.3122","0.0002","10.4156","0.0001","18.078","0.0002","90","","99.131","0.001","90","","2103.02","0.05","123","0.1","123","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-(diphenylamino)-2,6-dimethylpyridin-1-ium 2,4,4,5,5-pentafluoro-3-oxocyclopent-1-en-1-olate","","- C24 H19 F5 N2 O2 -","- C24 H19 F5 N2 O2 -","- C96 H76 F20 N8 O8 -","4","1","","McDonald, Peter W.; Goerigk, Lars; Ritchie, Chris","Planarisation or a twist? Using steric engineering to unlock the origin of mechanofluorochromic red-shifts.","Chemical science","2025","16","34","15320","15332","10.1039/d5sc04257g","","x-ray","1.54184","CuKα","","0.0361","0.0337","","","0.0837","0.0855","","","","","","1.039","","","","has coordinates","302546","2025-10-06","07:59:39",""
"1575180","15.1449","0.0002","7.3085","0.0001","17.1746","0.0002","90","","98.376","0.001","90","","1880.72","0.04","122.99","0.1","122.99","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-(4-(diphenylamino)-3-methylpyridin-1-ium-1-yl)-4,4,5,5-tetrafluoro-3-oxocyclopent-1-en-1-olate","","- C23 H16 F4 N2 O2 -","- C23 H16 F4 N2 O2 -","- C92 H64 F16 N8 O8 -","4","1","","McDonald, Peter W.; Goerigk, Lars; Ritchie, Chris","Planarisation or a twist? Using steric engineering to unlock the origin of mechanofluorochromic red-shifts.","Chemical science","2025","16","34","15320","15332","10.1039/d5sc04257g","","x-ray","1.54184","CuKα","","0.0419","0.0393","","","0.0945","0.0965","","","","","","1.069","","","","has coordinates","302546","2025-10-06","07:59:39",""
"1575181","11.7285","0.0003","17.8213","0.0004","10.0082","0.0002","90","","95.225","0.002","90","","2083.19","0.08","292.36","0.1","292.36","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(4-(diphenylamino)-3,5-dimethylpyridin-1-ium-1-yl)-4,4,5,5-tetrafluoro-3-oxocyclopent-1-en-1-olate","","- C24 H18 F4 N2 O2 -","- C24 H18 F4 N2 O2 -","- C96 H72 F16 N8 O8 -","4","1","","McDonald, Peter W.; Goerigk, Lars; Ritchie, Chris","Planarisation or a twist? Using steric engineering to unlock the origin of mechanofluorochromic red-shifts.","Chemical science","2025","16","34","15320","15332","10.1039/d5sc04257g","","x-ray","1.54184","CuKα","","0.0486","0.0406","","","0.1123","0.1197","","","","","","1.053","","","","has coordinates,has disorder","302546","2025-10-06","07:59:39",""
"1575182","8.5533","0.00004","12.55218","0.00007","23.37782","0.00014","90","","90","","90","","2509.9","0.02","123","0.1","123","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","9-(pyridin-4-yl)-9H-carbazole","","- C17 H12 N2 -","- C17 H12 N2 -","- C136 H96 N16 -","8","2","","McDonald, Peter W.; Goerigk, Lars; Ritchie, Chris","Planarisation or a twist? Using steric engineering to unlock the origin of mechanofluorochromic red-shifts.","Chemical science","2025","16","34","15320","15332","10.1039/d5sc04257g","","x-ray","1.54184","CuKα","","0.0297","0.0291","","","0.0729","0.0734","","","","","","1.073","","","","has coordinates","302546","2025-10-06","07:59:39",""
"1575183","11.6008","0.0001","17.7066","0.0002","9.8638","0.0001","90","","95.439","0.001","90","","2017.01","0.04","123.03","0.1","123.03","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(4-(diphenylamino)-3,5-dimethylpyridin-1-ium-1-yl)-4,4,5,5-tetrafluoro-3-oxocyclopent-1-en-1-olate","","- C24 H18 F4 N2 O2 -","- C24 H18 F4 N2 O2 -","- C96 H72 F16 N8 O8 -","4","1","","McDonald, Peter W.; Goerigk, Lars; Ritchie, Chris","Planarisation or a twist? Using steric engineering to unlock the origin of mechanofluorochromic red-shifts.","Chemical science","2025","16","34","15320","15332","10.1039/d5sc04257g","","x-ray","1.54184","CuKα","","0.0525","0.0468","","","0.1255","0.13","","","","","","1.035","","","","has coordinates","302546","2025-10-06","07:59:39",""
"1575184","8.0182","0.0002","17.9791","0.0005","10.2551","0.0002","90","","93.387","0.002","90","","1475.79","0.06","123","0.1","123","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2,6-dimethyl-N,N-diphenylpyridin-4-amine","","- C19 H18 N2 -","- C19 H18 N2 -","- C76 H72 N8 -","4","1","","McDonald, Peter W.; Goerigk, Lars; Ritchie, Chris","Planarisation or a twist? Using steric engineering to unlock the origin of mechanofluorochromic red-shifts.","Chemical science","2025","16","34","15320","15332","10.1039/d5sc04257g","","x-ray","1.54184","CuKα","","0.047","0.0414","","","0.1075","0.1128","","","","","","1.066","","","","has coordinates","302546","2025-10-06","07:59:39",""
"1575185","9.1685","0.0002","9.4713","0.0002","19.6236","0.0004","87.73","0.002","85.797","0.002","62.356","0.002","1505.45","0.06","123","0.1","123","0.1","","","","","","","","3","P -1","-P 1","2","","3,5-dimethyl-N,N-diphenylpyridin-4-amine","","- C19 H18 N2 -","- C19 H18 N2 -","- C76 H72 N8 -","4","2","","McDonald, Peter W.; Goerigk, Lars; Ritchie, Chris","Planarisation or a twist? Using steric engineering to unlock the origin of mechanofluorochromic red-shifts.","Chemical science","2025","16","34","15320","15332","10.1039/d5sc04257g","","x-ray","1.54184","CuKα","","0.0443","0.0395","","","0.0995","0.1015","","","","","","1.126","","","","has coordinates","302546","2025-10-06","07:59:39",""
"1575186","49.038","0.007","49.038","0.007","16.641","0.003","90","","90","","120","","34656","9","293","2","293","2","","","","","","","","4","P 6/m m m","-P 6 2","191","","","","- C108 H80 O32 Zr6 -","- C108 H80 O32 Zr6 -","- C324 H240 O96 Zr18 -","3","0.125","","Liu, Yi-Fan; He, Huihui; Gao, Lei; Liang, Rong-Ran; Li, Ji; Huang, Jinyi; Yin, Ya; Meng, Yuxuan; Zhong, Yuxiu; Luo, Rengan; Zhang, Liang-Liang; Zhou, Hong-Cai; Yuan, Shuai","Chemical and mechanical modifications of flexible metal-organic frameworks for enhancing photocatalysis.","Chemical science","2025","16","33","14995","15003","10.1039/d5sc02797g","","","0.71073","MoKα","","0.1707","0.1138","","","0.2915","0.3556","","","","","","1.061","","","","has coordinates,has disorder","302498","2025-10-06","07:39:48",""
"1575187","50.076","0.005","50.076","0.005","15.169","0.003","90","","90","","120","","32942","8","293","2","293","2","","","","","","","","4","P 6/m m m","-P 6 2","191","","","","- C108 H64 O32 Zr6 -","- C108 H64 O32 Zr6 -","- C324 H192 O96 Zr18 -","3","0.125","","Liu, Yi-Fan; He, Huihui; Gao, Lei; Liang, Rong-Ran; Li, Ji; Huang, Jinyi; Yin, Ya; Meng, Yuxuan; Zhong, Yuxiu; Luo, Rengan; Zhang, Liang-Liang; Zhou, Hong-Cai; Yuan, Shuai","Chemical and mechanical modifications of flexible metal-organic frameworks for enhancing photocatalysis.","Chemical science","2025","16","33","14995","15003","10.1039/d5sc02797g","","","0.71073","MoKα","","0.1087","0.0799","","","0.1938","0.2091","","","","","","1.043","","","","has coordinates,has disorder","302498","2025-10-06","07:39:48",""
"1575188","50.274","0.004","50.274","0.004","15.6837","0.0011","90","","90","","120","","34329","5","296","2","296.15","","","","","","","","","4","P 6/m m m","-P 6 2","191","","","","- C108 H76 O32 Zr6 -","- C108 H76 O32 Zr6 -","- C324 H228 O96 Zr18 -","3","0.125","","Liu, Yi-Fan; He, Huihui; Gao, Lei; Liang, Rong-Ran; Li, Ji; Huang, Jinyi; Yin, Ya; Meng, Yuxuan; Zhong, Yuxiu; Luo, Rengan; Zhang, Liang-Liang; Zhou, Hong-Cai; Yuan, Shuai","Chemical and mechanical modifications of flexible metal-organic frameworks for enhancing photocatalysis.","Chemical science","2025","16","33","14995","15003","10.1039/d5sc02797g","","","0.71073","MoKα","","0.1228","0.0617","","","0.1513","0.1797","","","","","","0.947","","","","has coordinates,has disorder","302498","2025-10-06","07:39:48",""
"1575189","50.711","0.004","50.711","0.004","15.1298","0.0011","90","","90","","120","","33695","4","193","2","193","2","","","","","","","","4","P 6/m m m","-P 6 2","191","","","","- C108 H80 O32 Zr6 -","- C108 H80 O32 Zr6 -","- C324 H240 O96 Zr18 -","3","0.125","","Liu, Yi-Fan; He, Huihui; Gao, Lei; Liang, Rong-Ran; Li, Ji; Huang, Jinyi; Yin, Ya; Meng, Yuxuan; Zhong, Yuxiu; Luo, Rengan; Zhang, Liang-Liang; Zhou, Hong-Cai; Yuan, Shuai","Chemical and mechanical modifications of flexible metal-organic frameworks for enhancing photocatalysis.","Chemical science","2025","16","33","14995","15003","10.1039/d5sc02797g","","","0.71073","MoKα","","0.1841","0.1447","","","0.2524","0.266","","","","","","1.097","","","","has coordinates,has disorder","302498","2025-10-06","07:39:48",""
"1575192","19.2091","0.0006","8.9415","0.0003","8.2849","0.0002","90","","94.122","0.001","90","","1419.32","0.07","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 I4 N2 Pb -","- C24 H24 I4 N2 Pb -","- C48 H48 I8 N4 Pb2 -","2","0.5","","Zugasti-Fernández, Dulce; Román-Román, Priscila I; Gutierrez-Avila, Mara; Gómora-Figueroa, A Paulina; Hernández-Cordero, Juan; Jancik, Vojtech; Hernández-Como, Norberto; Solis-Ibarra, Diego","Air-processed, ultraresponsive NIR photodetectors using 2D perovskite hybrids.","Chemical science","2025","16","34","15597","15601","10.1039/d5sc02348c","","","0.71073","MoKα","","0.0133","0.0131","","","0.0302","0.0303","","","","","","1.206","","","","has coordinates","302545","2025-10-06","07:59:12",""
"1575193","8.481","0.0003","11.5996","0.0002","11.9086","0.0003","111.195","0.002","96.371","0.002","107.702","0.002","1007.86","0.05","300","2","300","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H12 O6 S3 -","- C24 H12 O6 S3 -","- C48 H24 O12 S6 -","2","1","","Cui, Hao; Chen, Xiang; She, Xiong; Su, Wen-Xin; Chen, Shi-Chao; Zhang, Xiao","A pair of strongly reductive and oxidative photocatalysts for the general upcycling of biomass derivatives and plastic wastes.","Chemical science","2025","16","35","16070","16080","10.1039/d5sc03457d","","","1.54184","CuKα","","0.0395","0.037","","","0.101","0.1034","","","","","","1.081","","","","has coordinates","302529","2025-10-06","07:50:16",""
"1575194","14.4269","0.0008","18.7578","0.001","10.6226","0.0005","90","","108.077","0.006","90","","2732.8","0.3","299.79","0.1","299.79","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H21 N O8 S3 -","- C29 H21 N O8 S3 -","- C116 H84 N4 O32 S12 -","4","1","","Cui, Hao; Chen, Xiang; She, Xiong; Su, Wen-Xin; Chen, Shi-Chao; Zhang, Xiao","A pair of strongly reductive and oxidative photocatalysts for the general upcycling of biomass derivatives and plastic wastes.","Chemical science","2025","16","35","16070","16080","10.1039/d5sc03457d","","x-ray","1.54184","CuKα","","0.1046","0.0779","","","0.1993","0.2163","","","","","","1.078","","","","has coordinates","302529","2025-10-06","07:50:16",""
"1575195","9.61","0.003","10.687","0.004","20.153","0.007","90","","90","","90","","2069.8","1.2","296","2","296","2","","","","","","","","6","I m m m","-I 2 2","71","","","","- C72 H100 Cu4 I0 N4 O24 -","- C72 H100 Cu4 N4 O24 -","- C72 H100 Cu4 N4 O24 -","1","0.0625","","Xiao, Zongjing; Li, Pengfei; Sun, Beibei; Bao, Xinrui; Gan, Lei; Yang, Huajun","Water-mediated synthesis of hydrogen-bonded metal-organic frameworks.","Chemical science","2025","16","33","14919","14923","10.1039/d5sc02337h","","","0.71073","MoKα","","0.0228","0.0211","","","0.0597","0.0613","","","","","","1.015","","","","has coordinates,has disorder","302502","2025-10-06","07:41:00",""
"1575196","9.339","0.002","10.761","0.003","20.275","0.005","90","","90","","90","","2037.6","0.9","296","2","296","2","","","","","","","","6","I m m m","-I 2 2","71","","","","- C36 H50 I0 N2 Ni2 O12 -","- C36 H50 N2 Ni2 O12 -","- C72 H100 N4 Ni4 O24 -","2","0.125","","Xiao, Zongjing; Li, Pengfei; Sun, Beibei; Bao, Xinrui; Gan, Lei; Yang, Huajun","Water-mediated synthesis of hydrogen-bonded metal-organic frameworks.","Chemical science","2025","16","33","14919","14923","10.1039/d5sc02337h","","","0.71073","MoKα","","0.0263","0.0225","","","0.0581","0.0604","","","","","","0.949","","","","has coordinates,has disorder","302502","2025-10-06","07:41:02",""
"1575197","17.7985","0.0006","17.8628","0.0008","19.3154","0.0006","90","","90","","90","","6141","0.4","150","","150","","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C49 H107 Ce I Li N4 O4 Si3 -","- C49 H107 Ce I Li N4 O4 Si3 -","- C196 H428 Ce4 I4 Li4 N16 O16 Si12 -","4","1","","Combourieu, Adrien; Christodoulou, Stella; Maron, Laurent; Assendjee, Eachann; Casaretto, Nicolas; Phung, Bich Tuyen; Banyasz, Akos; Maury, Olivier; Gregson, Matthew; Wooles, Ashley J.; Liddle, Stephen T.; Tard, Cédric; Nocton, Grégory; Danoun, Grégory","Visible light activation of C-Cl and C-F bonds in persistent organic pollutants using cerium(iii) triamidoamine complex.","Chemical science","2025","16","34","15510","15517","10.1039/d5sc03626g","","x-ray","0.71073","MoKα","","0.0417","0.0331","","","0.0849","0.0888","","","","","","1.085","","","","has coordinates,has disorder","302552","2025-10-06","08:01:58",""
"1575198","15.5528","0.0012","19.1984","0.0009","19.4099","0.001","90","","91.1","0.006","90","","5794.5","0.6","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C45 H99 Ce I Li N4 O3 Si3 -","- C45 H99 Ce I Li N4 O3 Si3 -","- C180 H396 Ce4 I4 Li4 N16 O12 Si12 -","4","1","","Combourieu, Adrien; Christodoulou, Stella; Maron, Laurent; Assendjee, Eachann; Casaretto, Nicolas; Phung, Bich Tuyen; Banyasz, Akos; Maury, Olivier; Gregson, Matthew; Wooles, Ashley J.; Liddle, Stephen T.; Tard, Cédric; Nocton, Grégory; Danoun, Grégory","Visible light activation of C-Cl and C-F bonds in persistent organic pollutants using cerium(iii) triamidoamine complex.","Chemical science","2025","16","34","15510","15517","10.1039/d5sc03626g","","x-ray","0.71073","MoKα","","0.0846","0.0466","","","0.0868","0.1006","","","","","","1.024","","","","has coordinates","302552","2025-10-06","08:01:59",""
"1575199","13.0115","0.001","15.7902","0.0009","20.3365","0.0017","90","","90.712","0.007","90","","4177.9","0.5","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H75 Br Ce N4 Si3 -","- C33 H75 Br Ce N4 Si3 -","- C132 H300 Br4 Ce4 N16 Si12 -","4","1","","Combourieu, Adrien; Christodoulou, Stella; Maron, Laurent; Assendjee, Eachann; Casaretto, Nicolas; Phung, Bich Tuyen; Banyasz, Akos; Maury, Olivier; Gregson, Matthew; Wooles, Ashley J.; Liddle, Stephen T.; Tard, Cédric; Nocton, Grégory; Danoun, Grégory","Visible light activation of C-Cl and C-F bonds in persistent organic pollutants using cerium(iii) triamidoamine complex.","Chemical science","2025","16","34","15510","15517","10.1039/d5sc03626g","","","0.71073","MoKα","","0.0434","0.0281","","","0.0628","0.0681","","","","","","1.064","","","","has coordinates","302552","2025-10-06","08:01:59",""
"1575200","9.499","0.0008","22.531","0.002","19.0088","0.0017","90","","91.907","0.003","90","","4066","0.6","150.01","","150.01","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H75 Ce N4 Si3 -","- C33 H75 Ce N4 Si3 -","- C132 H300 Ce4 N16 Si12 -","4","1","","Combourieu, Adrien; Christodoulou, Stella; Maron, Laurent; Assendjee, Eachann; Casaretto, Nicolas; Phung, Bich Tuyen; Banyasz, Akos; Maury, Olivier; Gregson, Matthew; Wooles, Ashley J.; Liddle, Stephen T.; Tard, Cédric; Nocton, Grégory; Danoun, Grégory","Visible light activation of C-Cl and C-F bonds in persistent organic pollutants using cerium(iii) triamidoamine complex.","Chemical science","2025","16","34","15510","15517","10.1039/d5sc03626g","","","0.71073","MoKα","","0.0552","0.0348","","","0.0706","0.075","","","","","","0.925","","","","has coordinates","302552","2025-10-06","08:01:59",""
"1575201","12.9683","0.0008","15.5387","0.0009","20.3785","0.0012","90","","90.572","0.005","90","","4106.3","0.4","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H75 Ce Cl N4 Si3 -","- C33 H75 Ce Cl N4 Si3 -","- C132 H300 Ce4 Cl4 N16 Si12 -","4","1","","Combourieu, Adrien; Christodoulou, Stella; Maron, Laurent; Assendjee, Eachann; Casaretto, Nicolas; Phung, Bich Tuyen; Banyasz, Akos; Maury, Olivier; Gregson, Matthew; Wooles, Ashley J.; Liddle, Stephen T.; Tard, Cédric; Nocton, Grégory; Danoun, Grégory","Visible light activation of C-Cl and C-F bonds in persistent organic pollutants using cerium(iii) triamidoamine complex.","Chemical science","2025","16","34","15510","15517","10.1039/d5sc03626g","","x-ray","0.71073","MoKα","","0.0806","0.0378","","","0.0666","0.0737","","","","","","0.91","","","","has coordinates","302552","2025-10-06","08:01:59",""
"1575202","20.3562","0.001","19.958","0.0009","20.6752","0.0011","90","","103.739","0.004","90","","8159.4","0.7","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C264 H600 Ce8 F8 N32 Si24 -","- C264 H600 Ce8 F8 N32 Si24 -","- C264 H600 Ce8 F8 N32 Si24 -","1","0.25","","Combourieu, Adrien; Christodoulou, Stella; Maron, Laurent; Assendjee, Eachann; Casaretto, Nicolas; Phung, Bich Tuyen; Banyasz, Akos; Maury, Olivier; Gregson, Matthew; Wooles, Ashley J.; Liddle, Stephen T.; Tard, Cédric; Nocton, Grégory; Danoun, Grégory","Visible light activation of C-Cl and C-F bonds in persistent organic pollutants using cerium(iii) triamidoamine complex.","Chemical science","2025","16","34","15510","15517","10.1039/d5sc03626g","","x-ray","0.71073","MoKα","","0.0609","0.0371","","","0.0869","0.0998","","","","","","1.035","","","","has coordinates","302552","2025-10-06","08:01:59",""
"1575203","15.80343","0.00014","22.6493","0.0002","21.5753","0.0002","90","","96.5821","0.0009","90","","7671.69","0.12","139.99","0.1","139.99","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C83 H118 K N3 O6 U -","- C83 H118 K N3 O6 U -","- C332 H472 K4 N12 O24 U4 -","4","1","","Pang, Yue; Rajeshkumar, Thayalan; Scopelliti, Rosario; Maron, Laurent; Mazzanti, Marinella","C-C bond cleavage and carbonylation enabled by an NNN-pincer uranium scaffold <i>via</i> metal-arene interaction.","Chemical science","2025","16","35","16101","16109","10.1039/d5sc04248h","","x-ray","0.71073","MoKα","","0.0766","0.0399","","","0.0747","0.0822","","","","","","1.023","","","","has coordinates,has disorder","302537","2025-10-06","07:56:15",""
"1575204","14.81503","0.00015","15.69327","0.00017","33.7005","0.0003","90","","93.4484","0.0009","90","","7821.05","0.14","140","0.1","140","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C83 H122 K N3 O3 U -","- C83 H122 K N3 O3 U -","- C332 H488 K4 N12 O12 U4 -","4","1","","Pang, Yue; Rajeshkumar, Thayalan; Scopelliti, Rosario; Maron, Laurent; Mazzanti, Marinella","C-C bond cleavage and carbonylation enabled by an NNN-pincer uranium scaffold <i>via</i> metal-arene interaction.","Chemical science","2025","16","35","16101","16109","10.1039/d5sc04248h","","x-ray","1.54184","CuKα","","0.0513","0.0402","","","0.1008","0.108","","","","","","1.054","","","","has coordinates,has disorder","302537","2025-10-06","07:56:15",""
"1575205","11.6846","0.0002","15.7796","0.0003","18.592","0.0003","103.309","0.0015","94.0723","0.0015","107.288","0.0017","3149.13","0.1","140","0.1","140","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C126 H188 Cl4 K2 N6 O8 U2 -","- C126 H188 Cl4 K2 N6 O8 U2 -","- C126 H188 Cl4 K2 N6 O8 U2 -","1","0.5","","Pang, Yue; Rajeshkumar, Thayalan; Scopelliti, Rosario; Maron, Laurent; Mazzanti, Marinella","C-C bond cleavage and carbonylation enabled by an NNN-pincer uranium scaffold <i>via</i> metal-arene interaction.","Chemical science","2025","16","35","16101","16109","10.1039/d5sc04248h","","x-ray","1.54184","CuKα","","0.0349","0.0307","","","0.0723","0.0745","","","","","","1.023","","","","has coordinates,has disorder","302537","2025-10-06","07:56:15",""
"1575206","15.91762","0.00013","14.57188","0.00013","26.4106","0.0002","90","","99.07","0.0008","90","","6049.33","0.09","140","0.1","140","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C119.2 H187 K6 N6 O6.3 -","- C110 H164 K6 N6 O4 -","- C220 H328 K12 N12 O8 -","2","0.5","","Pang, Yue; Rajeshkumar, Thayalan; Scopelliti, Rosario; Maron, Laurent; Mazzanti, Marinella","C-C bond cleavage and carbonylation enabled by an NNN-pincer uranium scaffold <i>via</i> metal-arene interaction.","Chemical science","2025","16","35","16101","16109","10.1039/d5sc04248h","","x-ray","1.54184","CuKα","","0.0472","0.0439","","","0.1244","0.1278","","","","","","1.04","","","","has coordinates,has disorder","302537","2025-10-06","07:56:15",""
"1575207","13.394","0.0003","14.0175","0.0002","25.0941","0.0005","89.5052","0.0015","75.245","0.0017","69.4982","0.0018","4250.57","0.16","139.99","0.1","139.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C92 H134 K N3 O9 U -","- C92 H134 K N3 O9 U -","- C184 H268 K2 N6 O18 U2 -","2","1","","Pang, Yue; Rajeshkumar, Thayalan; Scopelliti, Rosario; Maron, Laurent; Mazzanti, Marinella","C-C bond cleavage and carbonylation enabled by an NNN-pincer uranium scaffold <i>via</i> metal-arene interaction.","Chemical science","2025","16","35","16101","16109","10.1039/d5sc04248h","","x-ray","1.54184","CuKα","","0.0805","0.0789","","","0.2238","0.2249","","","","","","1.204","","","","has coordinates,has disorder","302537","2025-10-06","07:56:15",""
"1575208","22.70041","0.00019","22.5404","0.0003","26.0053","0.0003","90","","111.315","0.0012","90","","12396.1","0.3","140","0.1","140","0.1","","","","","","","","7","I 1 a 1","I -2ya","9","","","","- C122 H186 Cl3 K3 N6 O7 U2 -","- C122 H186 Cl3 K3 N6 O7 U2 -","- C488 H744 Cl12 K12 N24 O28 U8 -","4","1","","Pang, Yue; Rajeshkumar, Thayalan; Scopelliti, Rosario; Maron, Laurent; Mazzanti, Marinella","C-C bond cleavage and carbonylation enabled by an NNN-pincer uranium scaffold <i>via</i> metal-arene interaction.","Chemical science","2025","16","35","16101","16109","10.1039/d5sc04248h","","x-ray","1.54184","CuKα","","0.0528","0.0478","","","0.1233","0.1269","","","","","","1.017","","","","has coordinates,has disorder","302537","2025-10-06","07:56:15",""
"1575209","28.4069","0.0004","15.1709","0.0002","30.045","0.0004","90","","95.1738","0.0013","90","","12895.4","0.3","140","0.12","140","0.12","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C67 H102 N3 O5 U -","- C59 H86 N3 O3 U -","- C472 H688 N24 O24 U8 -","8","2","","Pang, Yue; Rajeshkumar, Thayalan; Scopelliti, Rosario; Maron, Laurent; Mazzanti, Marinella","C-C bond cleavage and carbonylation enabled by an NNN-pincer uranium scaffold <i>via</i> metal-arene interaction.","Chemical science","2025","16","35","16101","16109","10.1039/d5sc04248h","","x-ray","1.54184","CuKα","","0.0789","0.0549","","","0.1253","0.1399","","","","","","1.0224","","","","has coordinates,has disorder","302537","2025-10-06","07:56:15",""
"1575210","21.026","0.01","13.762","0.006","21.097","0.01","90","","118.1","0.016","90","","5385","4","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H79 N6 P Zn -","- C56 H79 N6 P Zn -","- C224 H316 N24 P4 Zn4 -","4","1","","Jiang, Shengjie; Wang, Ganping; Cai, Yanping; Maron, Laurent; Xu, Xin","Zinc substituted carbenes: synthesis, structure, and ambiphilic reactivity.","Chemical science","2025","16","34","15462","15468","10.1039/d5sc03342j","","","0.71073","MoKα","","0.1325","0.0805","","","0.1192","0.1372","","","","","","1.154","","","","has coordinates,has disorder","302540","2025-10-06","07:57:27",""
"1575211","13.2792","0.0007","13.7788","0.001","15.3972","0.0012","70.153","0.007","76.765","0.005","79.146","0.005","2560.6","0.3","223","0.1","223","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C53 H74 N4 P Zn -","- C53 H74 N4 P Zn -","- C106 H148 N8 P2 Zn2 -","2","1","","Jiang, Shengjie; Wang, Ganping; Cai, Yanping; Maron, Laurent; Xu, Xin","Zinc substituted carbenes: synthesis, structure, and ambiphilic reactivity.","Chemical science","2025","16","34","15462","15468","10.1039/d5sc03342j","","x-ray","0.71073","MoKα","","0.1113","0.0586","","","0.126","0.163","","","","","","1.04","","","","has coordinates,has disorder","302540","2025-10-06","07:57:27",""
"1575212","24.9688","0.0009","10.7308","0.0004","21.6707","0.0008","90","","96.88","0.001","90","","5764.5","0.4","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H79 N4 P Zn -","- C56 H79 N4 P Zn -","- C224 H316 N16 P4 Zn4 -","4","1","","Jiang, Shengjie; Wang, Ganping; Cai, Yanping; Maron, Laurent; Xu, Xin","Zinc substituted carbenes: synthesis, structure, and ambiphilic reactivity.","Chemical science","2025","16","34","15462","15468","10.1039/d5sc03342j","","","0.71073","MoKα","","0.0926","0.0614","","","0.1337","0.1492","","","","","","1.039","","","","has coordinates","302540","2025-10-06","07:57:27",""
"1575213","13.2738","0.0004","16.5149","0.0005","19.8649","0.0006","85.59","0.001","86.806","0.001","84.517","0.001","4316.8","0.2","150","1","150","1","","","","","","","","9","P -1","-P 1","2","","","","- C88 H106 Au F6 N5 O4 P2 S2 Zn -","- C88 H106 Au F6 N5 O4 P2 S2 Zn -","- C176 H212 Au2 F12 N10 O8 P4 S4 Zn2 -","2","1","","Jiang, Shengjie; Wang, Ganping; Cai, Yanping; Maron, Laurent; Xu, Xin","Zinc substituted carbenes: synthesis, structure, and ambiphilic reactivity.","Chemical science","2025","16","34","15462","15468","10.1039/d5sc03342j","","","0.71073","MoKα","","0.0671","0.0534","","","0.1292","0.1422","","","","","","1.035","","","","has coordinates","302540","2025-10-06","07:57:27",""
"1575214","14.9188","0.0006","17.12","0.0007","20.8807","0.0009","90","","94.451","0.001","90","","5317.1","0.4","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H79 N4 P Zn -","- C56 H79 N4 P Zn -","- C224 H316 N16 P4 Zn4 -","4","1","","Jiang, Shengjie; Wang, Ganping; Cai, Yanping; Maron, Laurent; Xu, Xin","Zinc substituted carbenes: synthesis, structure, and ambiphilic reactivity.","Chemical science","2025","16","34","15462","15468","10.1039/d5sc03342j","","","0.71073","MoKα","","0.1103","0.0766","","","0.1219","0.133","","","","","","1.118","","","","has coordinates","302540","2025-10-06","07:57:27",""
"1575215","12.4129","0.0017","13.8443","0.0018","18.128","0.002","99.423","0.004","91.21","0.004","101.739","0.004","3004.2","0.7","150","1","150","1","","","","","","","","9","P -1","-P 1","2","","","","- C58 H79 Ag F6 N5 O4 P S2 Zn -","- C58 H79 Ag F6 N5 O4 P S2 Zn -","- C116 H158 Ag2 F12 N10 O8 P2 S4 Zn2 -","2","1","","Jiang, Shengjie; Wang, Ganping; Cai, Yanping; Maron, Laurent; Xu, Xin","Zinc substituted carbenes: synthesis, structure, and ambiphilic reactivity.","Chemical science","2025","16","34","15462","15468","10.1039/d5sc03342j","","","0.71073","MoKα","","0.083","0.066","","","0.1833","0.2011","","","","","","1.031","","","","has coordinates","302540","2025-10-06","07:57:27",""
"1575216","11.4773","0.0007","12.3292","0.0007","21.4352","0.0012","98.574","0.002","98.849","0.002","105.039","0.002","2837.1","0.3","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C61 H86 N4 Ni P Zn -","- C61 H86 N4 Ni P Zn -","- C122 H172 N8 Ni2 P2 Zn2 -","2","1","","Jiang, Shengjie; Wang, Ganping; Cai, Yanping; Maron, Laurent; Xu, Xin","Zinc substituted carbenes: synthesis, structure, and ambiphilic reactivity.","Chemical science","2025","16","34","15462","15468","10.1039/d5sc03342j","","","0.71073","MoKα","","0.0743","0.0524","","","0.1102","0.1218","","","","","","1.049","","","","has coordinates","302540","2025-10-06","07:57:27",""
"1575217","21.0168","0.0012","13.7828","0.0007","20.9785","0.0012","90","","118.003","0.002","90","","5365.4","0.5","150","1","150","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C57 H79 N4 O P Zn -","- C57 H79 N4 O P Zn -","- C228 H316 N16 O4 P4 Zn4 -","4","1","","Jiang, Shengjie; Wang, Ganping; Cai, Yanping; Maron, Laurent; Xu, Xin","Zinc substituted carbenes: synthesis, structure, and ambiphilic reactivity.","Chemical science","2025","16","34","15462","15468","10.1039/d5sc03342j","","","0.71073","MoKα","","0.1475","0.085","","","0.1332","0.1582","","","","","","1.078","","","","has coordinates","302540","2025-10-06","07:57:27",""
"1575218","14.1786","0.0005","14.4517","0.0006","26.2054","0.0011","90","","90","","90","","5369.6","0.4","150","1","150","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C57 H79 N4 O2 P Zn -","- C57 H79 N4 O2 P Zn -","- C228 H316 N16 O8 P4 Zn4 -","4","1","","Jiang, Shengjie; Wang, Ganping; Cai, Yanping; Maron, Laurent; Xu, Xin","Zinc substituted carbenes: synthesis, structure, and ambiphilic reactivity.","Chemical science","2025","16","34","15462","15468","10.1039/d5sc03342j","","","0.71073","MoKα","","0.0589","0.0432","","","0.0936","0.1022","","","","","","1.037","","","","has coordinates","302540","2025-10-06","07:57:27",""
"1575219","22.5888","0.001","17.4697","0.0008","19.2725","0.0008","90","","109.369","0.001","90","","7174.9","0.5","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C70.5 H97 N8 P Zn -","- C70.5 H97 N8 P Zn -","- C282 H388 N32 P4 Zn4 -","4","1","","Jiang, Shengjie; Wang, Ganping; Cai, Yanping; Maron, Laurent; Xu, Xin","Zinc substituted carbenes: synthesis, structure, and ambiphilic reactivity.","Chemical science","2025","16","34","15462","15468","10.1039/d5sc03342j","","","0.71073","MoKα","","0.1735","0.1092","","","0.2463","0.2878","","","","","","1.128","","","","has coordinates,has disorder","302540","2025-10-06","07:57:27",""
"1575220","8.9542","0.0005","14.7938","0.0008","20.8352","0.0011","106.669","0.002","93.269","0.002","90.445","0.002","2638.8","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H54 N2 O6 Si -","- C56 H54 N2 O6 Si -","- C112 H108 N4 O12 Si2 -","2","1","","Stoess, Lennart; Greb, Lutz","What distinguishes the strength and the effect of a Lewis base: insights with a strong chromogenic silicon Lewis acid.","Chemical science","2025","16","34","15387","15395","10.1039/d5sc03200h","","x-ray","0.71073","MoKα","","0.0711","0.0613","","","0.1615","0.1677","","","","","","1.086","","","","has coordinates","302541","2025-10-06","07:57:50",""
"1575221","15.0843","0.0017","15.9059","0.0017","20.643","0.002","108.857","0.004","95.289","0.004","114.939","0.003","4096.6","0.8","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C84.5 H111 Cl6 N2 O6 P Si -","- C84.501 H111.002 Cl6.002 N2 O6 P Si -","- C169.002 H222.004 Cl12.004 N4 O12 P2 Si2 -","2","1","","Stoess, Lennart; Greb, Lutz","What distinguishes the strength and the effect of a Lewis base: insights with a strong chromogenic silicon Lewis acid.","Chemical science","2025","16","34","15387","15395","10.1039/d5sc03200h","","x-ray","0.71073","MoKα","","0.1813","0.1148","","","0.2872","0.3177","","","","","","1.038","","","","has coordinates,has disorder","302541","2025-10-06","07:58:01",""
"1575222","23.7594","0.0015","12.8395","0.0008","27.154","0.0016","90","","101.651","0.002","90","","8112.9","0.9","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C83.92 H81.84 Cl8.84 N2 O6 P Si -","- C83.918 H81.836 Cl8.836 N2 O6 P Si -","- C335.672 H327.344 Cl35.344 N8 O24 P4 Si4 -","4","1","","Stoess, Lennart; Greb, Lutz","What distinguishes the strength and the effect of a Lewis base: insights with a strong chromogenic silicon Lewis acid.","Chemical science","2025","16","34","15387","15395","10.1039/d5sc03200h","","x-ray","0.71073","MoKα","","0.0672","0.0507","","","0.1242","0.1357","","","","","","1.037","","","","has coordinates,has disorder","302541","2025-10-06","07:58:02",""
"1575224","31.9024","0.0004","11.255","0.0001","16.6438","0.0002","90","","90","","90","","5976.15","0.12","123","0.1","123","0.1","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C24 H43 Fe Mg O3.5 P5 -","- C24 H43 Fe Mg O3.5 P5 -","- C192 H344 Fe8 Mg8 O28 P40 -","8","1","","Adlbert, Lukas; Weber, Martin; Riesinger, Christoph; Seidl, Michael; Scheer, Manfred","A simple synthesis of group 2 anthracenides and their use as reducing agents for polypnictogen ligand complexes.","Chemical science","2025","16","34","15446","15454","10.1039/d5sc04242a","","","1.54184","CuKα","","0.0366","0.0335","","","0.0894","0.0918","","","","","","1.037","","","","has coordinates,has disorder","302543","2025-10-06","07:58:50",""
"1575225","14.4098","0.0004","21.064","0.0005","18.1097","0.0005","90","","95.055","0.002","90","","5475.4","0.3","122.97","0.1","122.97","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C109 H150 Fe2 Mg2 N4 P12 -","- C109 H150 Fe2 Mg2 N4 P12 -","- C218 H300 Fe4 Mg4 N8 P24 -","2","0.5","","Adlbert, Lukas; Weber, Martin; Riesinger, Christoph; Seidl, Michael; Scheer, Manfred","A simple synthesis of group 2 anthracenides and their use as reducing agents for polypnictogen ligand complexes.","Chemical science","2025","16","34","15446","15454","10.1039/d5sc04242a","","","1.54184","CuKα","","0.0833","0.0554","","","0.117","0.1364","","","","","","1.05","","","","has coordinates,has disorder","302543","2025-10-06","07:58:50",""
"1575226","27.7184","0.0007","40.4538","0.0012","20.3254","0.0004","90","","90","","90","","22791.2","1","133","0.1","133.15","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C44 H78 Ba Fe2 O6 P10 -","- C42 H74 Ba Fe2 O5.5 P10 -","- C672 H1184 Ba16 Fe32 O88 P160 -","16","4","","Adlbert, Lukas; Weber, Martin; Riesinger, Christoph; Seidl, Michael; Scheer, Manfred","A simple synthesis of group 2 anthracenides and their use as reducing agents for polypnictogen ligand complexes.","Chemical science","2025","16","34","15446","15454","10.1039/d5sc04242a","","","0.71073","MoKα","","0.1214","0.1004","","","0.2664","0.2853","","","","","","1.066","","","","has coordinates,has disorder","302543","2025-10-06","07:58:50",""
"1575227","10.7346","0.0001","10.7346","0.0001","60.8","0.0008","90","","90","","90","","7006.08","0.13","123","0.1","123","0.1","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C66 H96 Fe2 Mg O5 P12 -","- C66 H96 Fe2 Mg O5 P12 -","- C264 H384 Fe8 Mg4 O20 P48 -","4","0.5","","Adlbert, Lukas; Weber, Martin; Riesinger, Christoph; Seidl, Michael; Scheer, Manfred","A simple synthesis of group 2 anthracenides and their use as reducing agents for polypnictogen ligand complexes.","Chemical science","2025","16","34","15446","15454","10.1039/d5sc04242a","","","1.54184","CuKα","","0.0642","0.0537","","","0.1211","0.1263","","","","","","1.038","","","","has coordinates,has disorder","302543","2025-10-06","07:58:50",""
"1575228","10.7954","0.0002","20.3376","0.0003","19.5093","0.0003","90","","90.312","0.001","90","","4283.25","0.12","123.01","0.1","123.01","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C78 H120 Fe2 O8 P12 Sr2 -","- C78 H120 Fe2 O8 P12 Sr2 -","- C156 H240 Fe4 O16 P24 Sr4 -","2","0.5","","Adlbert, Lukas; Weber, Martin; Riesinger, Christoph; Seidl, Michael; Scheer, Manfred","A simple synthesis of group 2 anthracenides and their use as reducing agents for polypnictogen ligand complexes.","Chemical science","2025","16","34","15446","15454","10.1039/d5sc04242a","","","1.54184","CuKα","","0.0624","0.049","","","0.1293","0.138","","","","","","1.056","","","","has coordinates,has disorder","302543","2025-10-06","07:58:51",""
"1575229","12.3561","0.0003","15.515","0.0003","20.0866","0.0005","90","","103.304","0.002","90","","3747.36","0.15","140","0.1","140","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C60 H108 Fe2 O10 P10 Sr2 -","- C60 H108 Fe2 O10 P10 Sr2 -","- C120 H216 Fe4 O20 P20 Sr4 -","2","0.5","","Adlbert, Lukas; Weber, Martin; Riesinger, Christoph; Seidl, Michael; Scheer, Manfred","A simple synthesis of group 2 anthracenides and their use as reducing agents for polypnictogen ligand complexes.","Chemical science","2025","16","34","15446","15454","10.1039/d5sc04242a","","","0.56087","AgKα","","0.0713","0.0475","","","0.1121","0.1298","","","","","","1.034","","","","has coordinates,has disorder","302543","2025-10-06","07:58:51",""
"1575230","10.5512","0.0006","14.2205","0.0007","37.349","0.002","90","","95.224","0.005","90","","5580.7","0.5","122.98","0.11","122.98","0.11","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H76 Fe2 Mg O8 P10 -","- C38 H76 Fe2 Mg O8 P10 -","- C152 H304 Fe8 Mg4 O32 P40 -","4","1","","Adlbert, Lukas; Weber, Martin; Riesinger, Christoph; Seidl, Michael; Scheer, Manfred","A simple synthesis of group 2 anthracenides and their use as reducing agents for polypnictogen ligand complexes.","Chemical science","2025","16","34","15446","15454","10.1039/d5sc04242a","","","1.54184","CuKα","","0.1007","0.0723","","","0.1847","0.2191","","","","","","1.067","","","","has coordinates,has disorder","302543","2025-10-06","07:58:51",""
"1575236","27.228","0.003","27.228","0.003","15.692","0.004","90","","90","","120","","10075","3","100","0.1","100","0.1","","","","","","","","6","R -3 :H","-R 3","148","heat","M1'","","- C66 H78 B3 F12 N3 O3 -","- C66 H78 B3 F12 N3 O3 -","- C396 H468 B18 F72 N18 O18 -","6","0.333333","","Wang, Hui; Sun, Chuanqi; Jia, Xu; Liu, Hui; Li, Cheng; Zhao, Yingjie","Reversible transformation of single-crystal two-dimensional polymer framework for photo/thermal reversible photolithography.","Chemical science","2025","16","34","15734","15741","10.1039/d5sc03359d","","x-ray","1.54184","CuKα","","0.2382","0.1821","","","0.3212","0.3454","","","","","","1.212","","","","has coordinates","302539","2025-10-06","07:56:55",""
"1575237","9.7011","0.0001","12.6871","0.0002","12.0065","0.0002","90","","91.03","0.001","90","","1477.51","0.04","123","","123","","","","","","","","","4","P 1 n 1","P -2yac","7","","5-bromo-2-methoxy-1,1':4',1''-terphenyl","","- C19 H15 Br O -","- C19 H15 Br O -","- C76 H60 Br4 O4 -","4","2","","Gao, Yunpeng; Jiang, Julong; Maeda, Satoshi; Kubota, Koji; Ito, Hajime","A cooperative electron-deficient phosphine/olefin ligand system for the site-selective mechanochemical Suzuki-Miyaura cross-coupling of 2,4-dibromoaryl ethers.","Chemical science","2025","16","35","15964","15976","10.1039/d5sc01669j","","x-ray","1.54184","CuKα","","0.0304","0.0287","","","0.0783","0.0895","","","","","","1.116","","","","has coordinates","302526","2025-10-06","07:49:22",""
"1575238","6.4748","0.0001","9.6162","0.0002","21.7688","0.0003","90","","90","","90","","1355.39","0.04","123","","123","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-(5-bromo-2-methoxyphenyl)naphthalene","","- C17 H13 Br O -","- C17 H13 Br O -","- C68 H52 Br4 O4 -","4","1","","Gao, Yunpeng; Jiang, Julong; Maeda, Satoshi; Kubota, Koji; Ito, Hajime","A cooperative electron-deficient phosphine/olefin ligand system for the site-selective mechanochemical Suzuki-Miyaura cross-coupling of 2,4-dibromoaryl ethers.","Chemical science","2025","16","35","15964","15976","10.1039/d5sc01669j","","x-ray","1.54184","CuKα","","0.0296","0.0281","","","0.0782","0.0807","","","","","","1.156","","","","has coordinates","302526","2025-10-06","07:49:22",""
"1575239","7.2726","0.0005","34.397","0.002","7.1925","0.0005","90","","114.07","0.008","90","","1642.8","0.2","123","","123","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","methyl 4'-methoxy-4''-methyl-[1,1':3',1''-terphenyl]-4-carboxylate","","- C22 H20 O3 -","- C22 H20 O3 -","- C88 H80 O12 -","4","1","","Gao, Yunpeng; Jiang, Julong; Maeda, Satoshi; Kubota, Koji; Ito, Hajime","A cooperative electron-deficient phosphine/olefin ligand system for the site-selective mechanochemical Suzuki-Miyaura cross-coupling of 2,4-dibromoaryl ethers.","Chemical science","2025","16","35","15964","15976","10.1039/d5sc01669j","","x-ray","0.71073","MoKα","","0.0482","0.0422","","","0.117","0.1211","","","","","","1.009","","","","has coordinates","302526","2025-10-06","07:49:22",""
"1575240","13.1518","0.0001","19.2859","0.0001","18.429","0.0002","90","","90.849","0.001","90","","4673.9","0.07","123","","123","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C46 H43 Br2 F12 O3 P Pd -","- C46 H43 Br2 F12 O3 P Pd -","- C184 H172 Br8 F48 O12 P4 Pd4 -","4","1","","Gao, Yunpeng; Jiang, Julong; Maeda, Satoshi; Kubota, Koji; Ito, Hajime","A cooperative electron-deficient phosphine/olefin ligand system for the site-selective mechanochemical Suzuki-Miyaura cross-coupling of 2,4-dibromoaryl ethers.","Chemical science","2025","16","35","15964","15976","10.1039/d5sc01669j","","x-ray","1.54184","CuKα","","0.0527","0.0513","","","0.1442","0.1488","","","","","","1.067","","","","has coordinates,has disorder","302526","2025-10-06","07:49:22",""
"1575241","10.0751","0.001","13.7318","0.0017","14.6404","0.0015","91.336","0.006","107.416","0.004","90.799","0.006","1931.6","0.4","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H23 N5 Ni O7 -","- C28 H16 N4 Ni O6 -","- C56 H32 N8 Ni2 O12 -","2","1","","Tai, Hongbo; Zhang, Xuan; Rong, Yang; Liu, Zhiliang","Rational crystal engineering of conductive metal-organic frameworks for promising electrochemical energy storage.","Chemical science","2025","16","34","15438","15445","10.1039/d5sc02794b","","","1.34139","GaKα","","0.0702","0.0523","","","0.1572","0.1681","","","","","","1.057","","","","has coordinates,has disorder","302550","2025-10-06","08:01:15",""
"1575242","10.1","0.002","13.535","0.003","14.671","0.003","104.991","0.006","109.272","0.006","94.427","0.006","1799.5","0.7","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H27 N5 Ni O8 -","- C28 H18 N4 Ni O6 -","- C56 H36 N8 Ni2 O12 -","2","1","","Tai, Hongbo; Zhang, Xuan; Rong, Yang; Liu, Zhiliang","Rational crystal engineering of conductive metal-organic frameworks for promising electrochemical energy storage.","Chemical science","2025","16","34","15438","15445","10.1039/d5sc02794b","","","1.34139","GaKα","","0.0706","0.0556","","","0.1607","0.1696","","","","","","1.099","","","","has coordinates","302550","2025-10-06","08:01:15",""
"1575246","20.88","0.0009","4.1316","0.0001","17.4968","0.0007","90","","114.092","0.005","90","","1377.93","0.1","100","0.1","100","0.1","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C12 H10 Br2 N2 Pb -","- C12 H10 Br2 N2 Pb -","- C48 H40 Br8 N8 Pb4 -","4","1","","Chen, Zhongwei; Wu, Jin; Deng, Zeyu; Chen, Congcong; Feng, Jianning; Ma, Baixu; Tao, Lizhi; Mao, Lingling; Lu, Haipeng","Topochemical photocycloaddition in two-dimensional lead-halide coordination polymers with tunable phosphorescence.","Chemical science","2025","16","35","16004","16015","10.1039/d5sc04306a","","x-ray","0.71073","MoKα","","0.0495","0.0445","","","0.093","0.095","","","","","","1.192","","","","has coordinates","302531","2025-10-06","07:51:28",""
"1575247","9.6885","0.0006","17.909","0.0011","4.336","0.0003","90","","90","","90","","752.35","0.08","99.97","0.11","99.97","0.11","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C12 I2 N2 Pb -","- C12 I2 N2 Pb -","- C24 I4 N4 Pb2 -","2","0.5","","Chen, Zhongwei; Wu, Jin; Deng, Zeyu; Chen, Congcong; Feng, Jianning; Ma, Baixu; Tao, Lizhi; Mao, Lingling; Lu, Haipeng","Topochemical photocycloaddition in two-dimensional lead-halide coordination polymers with tunable phosphorescence.","Chemical science","2025","16","35","16004","16015","10.1039/d5sc04306a","","x-ray","0.71073","MoKα","","0.0642","0.0605","","","0.1361","0.1381","","","","","","1.265","","","","has coordinates,has disorder","302531","2025-10-06","07:51:29",""
"1575248","19.6147","0.0009","10.211","0.0003","7.2904","0.0003","90","","90","","90","","1460.16","0.1","100","0.1","100","0.1","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C12 H10 I2 N2 Pb -","- C12 H10 I2 N2 Pb -","- C48 H40 I8 N8 Pb4 -","4","0.5","","Chen, Zhongwei; Wu, Jin; Deng, Zeyu; Chen, Congcong; Feng, Jianning; Ma, Baixu; Tao, Lizhi; Mao, Lingling; Lu, Haipeng","Topochemical photocycloaddition in two-dimensional lead-halide coordination polymers with tunable phosphorescence.","Chemical science","2025","16","35","16004","16015","10.1039/d5sc04306a","","x-ray","0.71073","MoKα","","0.0453","0.0349","","","0.0553","0.0578","","","","","","1.256","","","","has coordinates","302531","2025-10-06","07:51:29",""
"1575249","12.1435","0.0008","14.3139","0.0009","4.1064","0.0003","90","","91.303","0.007","90","","713.59","0.08","99.94","0.13","99.94","0.13","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C12 Br2 N2 Pb -","- C12 Br2 N2 Pb -","- C24 Br4 N4 Pb2 -","2","0.25","","Chen, Zhongwei; Wu, Jin; Deng, Zeyu; Chen, Congcong; Feng, Jianning; Ma, Baixu; Tao, Lizhi; Mao, Lingling; Lu, Haipeng","Topochemical photocycloaddition in two-dimensional lead-halide coordination polymers with tunable phosphorescence.","Chemical science","2025","16","35","16004","16015","10.1039/d5sc04306a","","x-ray","0.71073","MoKα","","0.0481","0.0453","","","0.1076","0.1105","","","","","","1.089","","","","has coordinates,has disorder","302531","2025-10-06","07:51:29",""
"1575250","4.0476","0.0002","8.8861","0.0005","9.5086","0.0005","74.107","0.005","85.675","0.005","81.7","0.005","325.25","0.03","99.97","0.1","99.97","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C12 H10 Cl2 N2 Pb -","- C12 H10 Cl2 N2 Pb -","- C12 H10 Cl2 N2 Pb -","1","0.5","","Chen, Zhongwei; Wu, Jin; Deng, Zeyu; Chen, Congcong; Feng, Jianning; Ma, Baixu; Tao, Lizhi; Mao, Lingling; Lu, Haipeng","Topochemical photocycloaddition in two-dimensional lead-halide coordination polymers with tunable phosphorescence.","Chemical science","2025","16","35","16004","16015","10.1039/d5sc04306a","","x-ray","0.71073","MoKα","","0.0282","0.0278","","","0.0664","0.0664","","","","","","1.06","","","","has coordinates","302531","2025-10-06","07:51:29",""
"1575251","12.8252","0.0005","14.2484","0.0004","4.2928","0.0002","90","","90.172","0.004","90","","784.46","0.05","99.97","0.1","99.97","0.1","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C12 H10 I2 N2 Pb -","- C12 H10 I2 N2 Pb -","- C24 H20 I4 N4 Pb2 -","2","0.25","","Chen, Zhongwei; Wu, Jin; Deng, Zeyu; Chen, Congcong; Feng, Jianning; Ma, Baixu; Tao, Lizhi; Mao, Lingling; Lu, Haipeng","Topochemical photocycloaddition in two-dimensional lead-halide coordination polymers with tunable phosphorescence.","Chemical science","2025","16","35","16004","16015","10.1039/d5sc04306a","","x-ray","0.71073","MoKα","","0.0421","0.0406","","","0.1044","0.1056","","","","","","1.179","","","","has coordinates,has disorder","302531","2025-10-06","07:51:29",""
"1575252","8.8284","0.0002","18.8885","0.0005","4.1504","0.0001","90","","90","","90","","692.1","0.03","99.95","0.11","99.95","0.11","","","","","","","","4","P n n m","-P 2 2n","58","","","","- C12 Br2 N2 Pb -","- C12 Br2 N2 Pb -","- C24 Br4 N4 Pb2 -","2","0.25","","Chen, Zhongwei; Wu, Jin; Deng, Zeyu; Chen, Congcong; Feng, Jianning; Ma, Baixu; Tao, Lizhi; Mao, Lingling; Lu, Haipeng","Topochemical photocycloaddition in two-dimensional lead-halide coordination polymers with tunable phosphorescence.","Chemical science","2025","16","35","16004","16015","10.1039/d5sc04306a","","x-ray","0.71073","MoKα","","0.0345","0.0282","","","0.0607","0.0634","","","","","","1.109","","","","has coordinates,has disorder","302531","2025-10-06","07:51:29",""
"1575253","4.366","0.0003","9.7804","0.0004","18.0733","0.0008","90","","90","","90","","771.75","0.07","99.97","0.1","100.15","","","","","","","","","4","P m c 21","P 2c -2","26","","","","- C12 I2 N2 Pb -","- C12 I2 N2 Pb -","- C24 I4 N4 Pb2 -","2","0.5","","Chen, Zhongwei; Wu, Jin; Deng, Zeyu; Chen, Congcong; Feng, Jianning; Ma, Baixu; Tao, Lizhi; Mao, Lingling; Lu, Haipeng","Topochemical photocycloaddition in two-dimensional lead-halide coordination polymers with tunable phosphorescence.","Chemical science","2025","16","35","16004","16015","10.1039/d5sc04306a","","x-ray","0.71","MoKα","","0.051","0.0475","","","0.1089","0.1114","","","","","","1.218","","","","has coordinates,has disorder","302531","2025-10-06","07:51:29",""
"1575254","3.9385","0.0003","28.0476","0.0015","11.9766","0.0007","90","","97.269","0.006","90","","1312.37","0.15","99.93","0.16","99.93","0.16","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H10 Cl2 N2 Pb -","- C12 H10 Cl2 N2 Pb -","- C48 H40 Cl8 N8 Pb4 -","4","0.5","","Chen, Zhongwei; Wu, Jin; Deng, Zeyu; Chen, Congcong; Feng, Jianning; Ma, Baixu; Tao, Lizhi; Mao, Lingling; Lu, Haipeng","Topochemical photocycloaddition in two-dimensional lead-halide coordination polymers with tunable phosphorescence.","Chemical science","2025","16","35","16004","16015","10.1039/d5sc04306a","","","0.71073","MoKα","","0.047","0.0423","","","0.0857","0.0874","","","","","","1.211","","","","has coordinates,has disorder","302531","2025-10-06","07:51:29",""
"1575255","11.995","0.002","14.728","0.003","4.3566","0.0008","90","","95.427","0.006","90","","766.2","0.2","173","","173","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C12 H10 I2 N2 Pb -","- C12 H10 I2 N2 Pb -","- C24 H20 I4 N4 Pb2 -","2","0.25","","Chen, Zhongwei; Wu, Jin; Deng, Zeyu; Chen, Congcong; Feng, Jianning; Ma, Baixu; Tao, Lizhi; Mao, Lingling; Lu, Haipeng","Topochemical photocycloaddition in two-dimensional lead-halide coordination polymers with tunable phosphorescence.","Chemical science","2025","16","35","16004","16015","10.1039/d5sc04306a","","","0.71073","MoKα","","0.0444","0.042","","","0.1014","0.1032","","","","","","1.021","","","","has coordinates","302531","2025-10-06","07:51:29",""
"1575263","17.72","0.019","5.998","0.007","33.06","0.04","90","","90","","90","","3514","7","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C20 H21 N O4 -","- C20 H21 N O4 -","- C160 H168 N8 O32 -","8","2","","Vinod, Kavya; Noushad, Najuma; Tanaka, Hidetoshi; Mohan, Nitha; Kokado, Yuya; Tomiya, Daiki; Kobori, Yasuhiro; Hariharan, Mahesh","Aggregation-assisted energy gap modulation controls delayed emission in hybrid charge-transfer emitters.","Chemical science","2025","16","34","15546","15554","10.1039/d5sc02071a","","","0.71073","MoKα","","0.2152","0.0851","","","0.1844","0.2522","","","","","","1.003","","","","has coordinates","302544","2025-10-06","07:59:04",""
"1575264","10.8941","0.0014","19.285","0.002","9.3345","0.0011","90","","106.773","0.004","90","","1877.7","0.4","296.15","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 Br N O4 -","- C20 H20 Br N O4 -","- C80 H80 Br4 N4 O16 -","4","1","","Vinod, Kavya; Noushad, Najuma; Tanaka, Hidetoshi; Mohan, Nitha; Kokado, Yuya; Tomiya, Daiki; Kobori, Yasuhiro; Hariharan, Mahesh","Aggregation-assisted energy gap modulation controls delayed emission in hybrid charge-transfer emitters.","Chemical science","2025","16","34","15546","15554","10.1039/d5sc02071a","","","0.71073","MoKα","","0.0914","0.0442","","","0.0939","0.109","","","","","","1.025","","","","has coordinates","302544","2025-10-06","07:59:04",""
"1575265","6.5089","0.0004","8.2692","0.0005","13.0732","0.0009","90","","101.411","0.002","90","","689.74","0.08","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H16 N4 -","- C17 H16 N4 -","- C34 H32 N8 -","2","1","","Laluk, Andrew L. D. M.; Buschmann, Dennis A.; Takano, Shinjiro; Sullivan, Angus I.; Aminfar, Parimah; Stamplecoskie, Kevin; Tsukuda, Tatsuya; Crudden, Cathleen M.","Tuning the surface chemistry of NHC-protected Au<sub>13</sub> nanoclusters <i>via</i> a robust amide coupling procedure.","Chemical science","2025","16","39","18278","18285","10.1039/d5sc02951a","","","0.71073","MoKα","","0.054","0.0393","","","0.081","0.0886","","","","","","1.072","","","","has coordinates","303641","2025-11-29","18:30:59",""
"1575266","10.4502","0.0003","10.814","0.0004","12.2059","0.0005","92.928","0.001","108.465","0.001","97.633","0.001","1290.38","0.08","102","2","102","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H60 Au Cl2 N4 O10 -","- C56 H60 Au Cl2 N4 O10 -","- C56 H60 Au Cl2 N4 O10 -","1","0.5","","Laluk, Andrew L. D. M.; Buschmann, Dennis A.; Takano, Shinjiro; Sullivan, Angus I.; Aminfar, Parimah; Stamplecoskie, Kevin; Tsukuda, Tatsuya; Crudden, Cathleen M.","Tuning the surface chemistry of NHC-protected Au<sub>13</sub> nanoclusters <i>via</i> a robust amide coupling procedure.","Chemical science","2025","16","39","18278","18285","10.1039/d5sc02951a","","","0.71073","MoKα","","0.0487","0.0449","","","0.0976","0.1002","","","","","","1.067","","","","has coordinates","303641","2025-11-29","18:30:59",""
"1575267","7.3204","0.0004","12.4682","0.0007","12.7462","0.0007","83.405","0.002","75.025","0.002","89.663","0.002","1116.08","0.11","101","2","101","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H48 Au F6 N4 O8 P -","- C46 H48 Au F6 N4 O8 P -","- C46 H48 Au F6 N4 O8 P -","1","0.5","","Laluk, Andrew L. D. M.; Buschmann, Dennis A.; Takano, Shinjiro; Sullivan, Angus I.; Aminfar, Parimah; Stamplecoskie, Kevin; Tsukuda, Tatsuya; Crudden, Cathleen M.","Tuning the surface chemistry of NHC-protected Au<sub>13</sub> nanoclusters <i>via</i> a robust amide coupling procedure.","Chemical science","2025","16","39","18278","18285","10.1039/d5sc02951a","","","0.71073","MoKα","","0.0471","0.0431","","","0.0846","0.0878","","","","","","1.101","","","","has coordinates","303641","2025-11-29","18:30:59",""
"1575268","22.7415","0.0011","27.9306","0.0012","36.9007","0.0018","90","","101.763","0.0016","90","","22946.5","1.9","108","0.5","108","0.5","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C210 H222 Au13 Cl9 F12 N18 O36 P2 -","- C210 H222 Au13 Cl9 F12 N18 O36 P2 -","- C840 H888 Au52 Cl36 F48 N72 O144 P8 -","4","1","","Laluk, Andrew L. D. M.; Buschmann, Dennis A.; Takano, Shinjiro; Sullivan, Angus I.; Aminfar, Parimah; Stamplecoskie, Kevin; Tsukuda, Tatsuya; Crudden, Cathleen M.","Tuning the surface chemistry of NHC-protected Au<sub>13</sub> nanoclusters <i>via</i> a robust amide coupling procedure.","Chemical science","2025","16","39","18278","18285","10.1039/d5sc02951a","","x-ray","0.71073","MoKα","","0.0963","0.0709","","","0.161","0.1761","","","","","","1.096","","","","has coordinates,has disorder","303641","2025-11-29","18:30:59",""
"1575269","19.5502","0.001","12.5616","0.0006","18.7554","0.0009","90","","105.33","0.002","90","","4442.1","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H69 B20 O2 P3 -","- C30 H69 B20 O2 P3 -","- C120 H276 B80 O8 P12 -","4","1","","Riffle, Jared R.; Jowers, Cash L.; Luna, Sarah; Smith, Mark D.; Peryshkov, Dmitry V.","Non-spectator behavior of a neutral phosphine ligand driven by a redox-active boron cluster.","Chemical science","2025","16","35","15997","16003","10.1039/d5sc04058b","","x-ray","0.71073","MoKα","","0.0644","0.0466","","","0.0936","0.1005","","","","","","1.072","","","","has coordinates,has disorder","302524","2025-10-06","07:49:04",""
"1575270","10.3745","0.0004","10.5931","0.0005","21.3748","0.0009","77.677","0.002","84.292","0.002","77.488","0.002","2236.93","0.17","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H69 B20 Cl Cu O P3 -","- C30 H69 B20 Cl Cu O P3 -","- C60 H138 B40 Cl2 Cu2 O2 P6 -","2","1","","Riffle, Jared R.; Jowers, Cash L.; Luna, Sarah; Smith, Mark D.; Peryshkov, Dmitry V.","Non-spectator behavior of a neutral phosphine ligand driven by a redox-active boron cluster.","Chemical science","2025","16","35","15997","16003","10.1039/d5sc04058b","","x-ray","0.71073","MoKα","","0.0412","0.0318","","","0.0736","0.0775","","","","","","1.055","","","","has coordinates,has disorder","302524","2025-10-06","07:49:05",""
"1575271","12.4794","0.0005","14.7895","0.0006","16.138","0.0006","88.786","0.002","72.01","0.001","88.654","0.001","2831.79","0.19","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H81 B21 Cu P3 -","- C50 H81 B21 Cu P3 -","- C100 H162 B42 Cu2 P6 -","2","1","","Riffle, Jared R.; Jowers, Cash L.; Luna, Sarah; Smith, Mark D.; Peryshkov, Dmitry V.","Non-spectator behavior of a neutral phosphine ligand driven by a redox-active boron cluster.","Chemical science","2025","16","35","15997","16003","10.1039/d5sc04058b","","x-ray","0.71073","MoKα","","0.0672","0.0465","","","0.114","0.1233","","","","","","1.103","","","","has coordinates,has disorder","302524","2025-10-06","07:49:05",""
"1575272","10.3603","0.0006","11.3077","0.0007","20.9212","0.0013","79.915","0.002","84.143","0.002","74.576","0.002","2322.2","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H67 B20 Cu N5 P3 -","- C30 H67 B20 Cu N5 P3 -","- C60 H134 B40 Cu2 N10 P6 -","2","1","","Riffle, Jared R.; Jowers, Cash L.; Luna, Sarah; Smith, Mark D.; Peryshkov, Dmitry V.","Non-spectator behavior of a neutral phosphine ligand driven by a redox-active boron cluster.","Chemical science","2025","16","35","15997","16003","10.1039/d5sc04058b","","x-ray","0.71073","MoKα","","0.0625","0.0451","","","0.0973","0.1054","","","","","","1.054","","","","has coordinates","302524","2025-10-06","07:49:05",""
"1575273","11.325","0.0004","41.3884","0.0015","10.463","0.0004","90","","102.191","0.001","90","","4793.7","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H70 B20 Cl Cu N3 P3 -","- C32 H70 B20 Cl Cu N3 P3 -","- C128 H280 B80 Cl4 Cu4 N12 P12 -","4","1","","Riffle, Jared R.; Jowers, Cash L.; Luna, Sarah; Smith, Mark D.; Peryshkov, Dmitry V.","Non-spectator behavior of a neutral phosphine ligand driven by a redox-active boron cluster.","Chemical science","2025","16","35","15997","16003","10.1039/d5sc04058b","","x-ray","0.71073","MoKα","","0.0321","0.0285","","","0.072","0.0734","","","","","","1.066","","","","has coordinates","302524","2025-10-06","07:49:05",""
"1575279","5.2197","0.0003","8.8113","0.0003","11.4168","0.0006","88.594","0.003","77.55","0.005","86.718","0.004","511.86","0.04","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H20 S4 -","- C28 H20 S4 -","- C28 H20 S4 -","1","0.5","","Pal, Prasanta; Bulgarevich, Kirill; Hanaki, Ryota; Kawabata, Kohsuke; Takimiya, Kazuo","Extension of the π-conjugated core of methylchalcogenolated polycyclic aromatic hydrocarbons: synthesis and characterization of 1,4,7,10-tetrakis(methylthio)- and tetramethoxy-coronene.","Chemical science","2025","16","34","15368","15377","10.1039/d5sc03215f","","x-ray","1.54184","CuKα","","0.0647","0.0569","","","0.1577","0.1668","","","","","","1.044","","","","has coordinates","302547","2025-10-06","08:00:11",""
"1575280","10.8606","0.0003","12.9849","0.0004","13.7224","0.0004","90","","103.074","0.003","90","","1885.02","0.1","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H20 O4 -","- C28 H20 O4 -","- C112 H80 O16 -","4","1","","Pal, Prasanta; Bulgarevich, Kirill; Hanaki, Ryota; Kawabata, Kohsuke; Takimiya, Kazuo","Extension of the π-conjugated core of methylchalcogenolated polycyclic aromatic hydrocarbons: synthesis and characterization of 1,4,7,10-tetrakis(methylthio)- and tetramethoxy-coronene.","Chemical science","2025","16","34","15368","15377","10.1039/d5sc03215f","","x-ray","1.54184","CuKα","","0.09","0.0606","","","0.1402","0.1535","","","","","","1.079","","","","has coordinates","302547","2025-10-06","08:00:12",""
"1575281","10.9191","0.0004","13.1598","0.0006","13.7566","0.0005","90","","102.816","0.003","90","","1927.48","0.13","300","2","300","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H20 O4 -","- C28 H20 O4 -","- C112 H80 O16 -","4","1","","Pal, Prasanta; Bulgarevich, Kirill; Hanaki, Ryota; Kawabata, Kohsuke; Takimiya, Kazuo","Extension of the π-conjugated core of methylchalcogenolated polycyclic aromatic hydrocarbons: synthesis and characterization of 1,4,7,10-tetrakis(methylthio)- and tetramethoxy-coronene.","Chemical science","2025","16","34","15368","15377","10.1039/d5sc03215f","","x-ray","1.54184","CuKα","","0.117","0.0602","","","0.1348","0.1585","","","","","","1.035","","","","has coordinates","302547","2025-10-06","08:00:12",""
"1575282","9.7178","0.0007","10.8952","0.0006","17.343","0.001","90","","91.835","0.006","90","","1835.3","0.2","200","2","200","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H20 O4 -","- C26 H20 O4 -","- C104 H80 O16 -","4","1","","Pal, Prasanta; Bulgarevich, Kirill; Hanaki, Ryota; Kawabata, Kohsuke; Takimiya, Kazuo","Extension of the π-conjugated core of methylchalcogenolated polycyclic aromatic hydrocarbons: synthesis and characterization of 1,4,7,10-tetrakis(methylthio)- and tetramethoxy-coronene.","Chemical science","2025","16","34","15368","15377","10.1039/d5sc03215f","","x-ray","1.54184","CuKα","","0.1032","0.0819","","","0.2218","0.2384","","","","","","1.103","","","","has coordinates,has disorder","302547","2025-10-06","08:00:12",""
"1575283","9.6782","0.0004","10.8375","0.0004","17.2665","0.0006","90","","92.011","0.003","90","","1809.92","0.12","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H20 O4 -","- C26 H20 O4 -","- C104 H80 O16 -","4","1","","Pal, Prasanta; Bulgarevich, Kirill; Hanaki, Ryota; Kawabata, Kohsuke; Takimiya, Kazuo","Extension of the π-conjugated core of methylchalcogenolated polycyclic aromatic hydrocarbons: synthesis and characterization of 1,4,7,10-tetrakis(methylthio)- and tetramethoxy-coronene.","Chemical science","2025","16","34","15368","15377","10.1039/d5sc03215f","","x-ray","1.54184","CuKα","","0.1205","0.0993","","","0.2067","0.2171","","","","","","1.208","","","","has coordinates,has disorder","302547","2025-10-06","08:00:12",""
"1575284","5.101","0.0001","9.1362","0.0001","11.3735","0.0002","89.639","0.002","77.413","0.002","87.365","0.001","516.758","0.015","300","2","300","2","","","","","","","","3","P -1","-P 1","2","","","","- C26 H20 S4 -","- C26 H20 S4 -","- C26 H20 S4 -","1","0.5","","Pal, Prasanta; Bulgarevich, Kirill; Hanaki, Ryota; Kawabata, Kohsuke; Takimiya, Kazuo","Extension of the π-conjugated core of methylchalcogenolated polycyclic aromatic hydrocarbons: synthesis and characterization of 1,4,7,10-tetrakis(methylthio)- and tetramethoxy-coronene.","Chemical science","2025","16","34","15368","15377","10.1039/d5sc03215f","","x-ray","1.54184","CuKα","","0.0768","0.0752","","","0.2078","0.2086","","","","","","1.114","","","","has coordinates,has disorder","302547","2025-10-06","08:00:12",""
"1575285","10.9983","0.0003","18.9426","0.0004","19.1861","0.0003","86.1432","0.0016","75.6762","0.0019","79.232","0.002","3803.78","0.15","300","2","300","2","","","","","","","","3","P -1","-P 1","2","","","","- C26 H20 O4 -","- C26 H20 O4 -","- C208 H160 O32 -","8","4","","Pal, Prasanta; Bulgarevich, Kirill; Hanaki, Ryota; Kawabata, Kohsuke; Takimiya, Kazuo","Extension of the π-conjugated core of methylchalcogenolated polycyclic aromatic hydrocarbons: synthesis and characterization of 1,4,7,10-tetrakis(methylthio)- and tetramethoxy-coronene.","Chemical science","2025","16","34","15368","15377","10.1039/d5sc03215f","","x-ray","1.54184","CuKα","","0.0672","0.0533","","","0.1528","0.163","","","","","","1.025","","","","has coordinates,has disorder","302547","2025-10-06","08:00:12",""
"1575286","10.9472","0.0002","18.8237","0.0003","19.0718","0.0002","85.8795","0.0011","75.9202","0.0014","79.808","0.0014","3750.14","0.1","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C26 H20 O4 -","- C26 H20 O4 -","- C208 H160 O32 -","8","4","","Pal, Prasanta; Bulgarevich, Kirill; Hanaki, Ryota; Kawabata, Kohsuke; Takimiya, Kazuo","Extension of the π-conjugated core of methylchalcogenolated polycyclic aromatic hydrocarbons: synthesis and characterization of 1,4,7,10-tetrakis(methylthio)- and tetramethoxy-coronene.","Chemical science","2025","16","34","15368","15377","10.1039/d5sc03215f","","x-ray","1.54184","CuKα","","0.0632","0.0503","","","0.1445","0.154","","","","","","1.026","","","","has coordinates,has disorder","302547","2025-10-06","08:00:12",""
"1575287","5.2372","0.0002","8.8932","0.0003","11.4399","0.0004","88.844","0.003","77.845","0.003","86.23","0.003","519.74","0.03","300","2","300","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H20 S4 -","- C28 H20 S4 -","- C28 H20 S4 -","1","0.5","","Pal, Prasanta; Bulgarevich, Kirill; Hanaki, Ryota; Kawabata, Kohsuke; Takimiya, Kazuo","Extension of the π-conjugated core of methylchalcogenolated polycyclic aromatic hydrocarbons: synthesis and characterization of 1,4,7,10-tetrakis(methylthio)- and tetramethoxy-coronene.","Chemical science","2025","16","34","15368","15377","10.1039/d5sc03215f","","x-ray","1.54184","CuKα","","0.1014","0.0832","","","0.2136","0.2268","","","","","","1.13","","","","has coordinates","302547","2025-10-06","08:00:12",""
"1575288","5.2396","0.0002","8.8512","0.0002","11.4251","0.0003","88.761","0.002","77.638","0.003","86.513","0.003","516.6","0.03","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H20 S4 -","- C28 H20 S4 -","- C28 H20 S4 -","1","0.5","","Pal, Prasanta; Bulgarevich, Kirill; Hanaki, Ryota; Kawabata, Kohsuke; Takimiya, Kazuo","Extension of the π-conjugated core of methylchalcogenolated polycyclic aromatic hydrocarbons: synthesis and characterization of 1,4,7,10-tetrakis(methylthio)- and tetramethoxy-coronene.","Chemical science","2025","16","34","15368","15377","10.1039/d5sc03215f","","x-ray","1.54184","CuKα","","0.0525","0.0469","","","0.1342","0.1396","","","","","","1.07","","","","has coordinates","302547","2025-10-06","08:00:12",""
"1575289","10.8892","0.0004","13.0557","0.0004","13.7463","0.0005","90","","102.879","0.004","90","","1905.09","0.12","200","2","200","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H20 O4 -","- C28 H20 O4 -","- C112 H80 O16 -","4","1","","Pal, Prasanta; Bulgarevich, Kirill; Hanaki, Ryota; Kawabata, Kohsuke; Takimiya, Kazuo","Extension of the π-conjugated core of methylchalcogenolated polycyclic aromatic hydrocarbons: synthesis and characterization of 1,4,7,10-tetrakis(methylthio)- and tetramethoxy-coronene.","Chemical science","2025","16","34","15368","15377","10.1039/d5sc03215f","","x-ray","1.54184","CuKα","","0.0958","0.0575","","","0.1349","0.1534","","","","","","1.03","","","","has coordinates","302547","2025-10-06","08:00:12",""
"1575290","9.768","0.0004","10.9262","0.0003","17.4458","0.0005","90","","91.678","0.003","90","","1861.14","0.11","300","2","300","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H20 O4 -","- C26 H20 O4 -","- C104 H80 O16 -","4","1","","Pal, Prasanta; Bulgarevich, Kirill; Hanaki, Ryota; Kawabata, Kohsuke; Takimiya, Kazuo","Extension of the π-conjugated core of methylchalcogenolated polycyclic aromatic hydrocarbons: synthesis and characterization of 1,4,7,10-tetrakis(methylthio)- and tetramethoxy-coronene.","Chemical science","2025","16","34","15368","15377","10.1039/d5sc03215f","","x-ray","1.54184","CuKα","","0.1206","0.0888","","","0.188","0.2028","","","","","","1.162","","","","has coordinates,has disorder","302547","2025-10-06","08:00:12",""
"1575291","5.0737","0.0002","9.0307","0.0002","11.309","0.0005","89.351","0.003","77.263","0.003","87.865","0.002","505.06","0.03","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C26 H20 S4 -","- C26 H20 S4 -","- C26 H20 S4 -","1","0.5","","Pal, Prasanta; Bulgarevich, Kirill; Hanaki, Ryota; Kawabata, Kohsuke; Takimiya, Kazuo","Extension of the π-conjugated core of methylchalcogenolated polycyclic aromatic hydrocarbons: synthesis and characterization of 1,4,7,10-tetrakis(methylthio)- and tetramethoxy-coronene.","Chemical science","2025","16","34","15368","15377","10.1039/d5sc03215f","","x-ray","1.54184","CuKα","","0.0816","0.0771","","","0.1796","0.1814","","","","","","1.182","","","","has coordinates,has disorder","302547","2025-10-06","08:00:12",""
"1575292","5.0914","0.0001","9.0718","0.0001","11.3386","0.0002","89.469","0.001","77.308","0.002","87.639","0.001","510.479","0.015","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C26 H20 S4 -","- C26 H20 S4 -","- C26 H20 S4 -","1","0.5","","Pal, Prasanta; Bulgarevich, Kirill; Hanaki, Ryota; Kawabata, Kohsuke; Takimiya, Kazuo","Extension of the π-conjugated core of methylchalcogenolated polycyclic aromatic hydrocarbons: synthesis and characterization of 1,4,7,10-tetrakis(methylthio)- and tetramethoxy-coronene.","Chemical science","2025","16","34","15368","15377","10.1039/d5sc03215f","","x-ray","1.54184","CuKα","","0.0862","0.0808","","","0.2223","0.2241","","","","","","1.228","","","","has coordinates,has disorder","302547","2025-10-06","08:00:12",""
"1575293","10.8935","0.0002","18.743","0.0004","18.9847","0.0003","85.8831","0.0014","76.1584","0.0016","79.9947","0.0018","3704.58","0.12","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C26 H20 O4 -","- C26 H20 O4 -","- C208 H160 O32 -","8","4","","Pal, Prasanta; Bulgarevich, Kirill; Hanaki, Ryota; Kawabata, Kohsuke; Takimiya, Kazuo","Extension of the π-conjugated core of methylchalcogenolated polycyclic aromatic hydrocarbons: synthesis and characterization of 1,4,7,10-tetrakis(methylthio)- and tetramethoxy-coronene.","Chemical science","2025","16","34","15368","15377","10.1039/d5sc03215f","","x-ray","1.54184","CuKα","","0.0551","0.0482","","","0.1364","0.1406","","","","","","1.044","","","","has coordinates,has disorder","302547","2025-10-06","08:00:12",""
"1575298","13.2842","0.0007","14.0429","0.0007","13.797","0.0007","90","","93.272","0.002","90","","2569.6","0.2","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H74 D6 Ga2 N2 P2 -","- C54 H74 D6 Ga2 N2 P2 -","- C108 H148 D12 Ga4 N4 P4 -","2","0.5","","Schwamm, Ryan J.; Bhide, Malavika A.; Nichol, Gary S.; Cowley, Michael J.","Reversible addition of ethene to gallium(i) monomers and dimers.","Chemical science","2025","16","29","13333","13344","10.1039/d4sc06894g","","","0.71073","MoKα","","0.063","0.0528","","","0.1116","0.1164","","","","","","1.171","","","","has coordinates,has disorder","301444","2025-08-04","08:09:31",""
"1575299","12.0391","0.0003","12.1205","0.0003","22.5729","0.0006","91.413","0.002","96.822","0.002","96.004","0.002","3250.28","0.14","120","0.1","120","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C75 H90 Ga2 N2 P2 -","- C75 H90 Ga2 N2 P2 -","- C150 H180 Ga4 N4 P4 -","2","1","","Schwamm, Ryan J.; Bhide, Malavika A.; Nichol, Gary S.; Cowley, Michael J.","Reversible addition of ethene to gallium(i) monomers and dimers.","Chemical science","2025","16","29","13333","13344","10.1039/d4sc06894g","","x-ray","0.71073","MoKα","","0.069","0.0485","","","0.1008","0.1089","","","","","","1.043","","","","has coordinates,has disorder","301444","2025-08-04","08:09:44",""
"1575300","14.0253","0.0001","16.5037","0.0001","26.1487","0.0001","90","","90","","90","","6052.62","0.06","100.01","0.1","100.15","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C70 H86 Ga2 N2 P2 -","- C70 H86 Ga2 N2 P2 -","- C280 H344 Ga8 N8 P8 -","4","1","","Schwamm, Ryan J.; Bhide, Malavika A.; Nichol, Gary S.; Cowley, Michael J.","Reversible addition of ethene to gallium(i) monomers and dimers.","Chemical science","2025","16","29","13333","13344","10.1039/d4sc06894g","","","1.54184","CuKα","","0.0697","0.0665","","","0.1649","0.1695","","","","","","1.042","","","","has coordinates","301444","2025-08-04","08:09:47",""
"1575301","9.8258","0.0003","10.6897","0.0004","15.1671","0.0006","80.922","0.003","76.755","0.003","75.256","0.003","1491.24","0.1","120","0.1","120","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C34 H41 Ga N P -","- C34 H41 Ga N P -","- C68 H82 Ga2 N2 P2 -","2","1","","Schwamm, Ryan J.; Bhide, Malavika A.; Nichol, Gary S.; Cowley, Michael J.","Reversible addition of ethene to gallium(i) monomers and dimers.","Chemical science","2025","16","29","13333","13344","10.1039/d4sc06894g","","x-ray","0.71073","MoKα","","0.0492","0.0391","","","0.1193","0.1278","","","","","","0.929","","","","has coordinates","301444","2025-08-04","08:10:03",""
"1575302","15.0973","0.0013","23.9872","0.001","17.0383","0.0009","90","","116.108","0.009","90","","5540.7","0.7","100","0.1","100","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C60 H47 B F22 Ga N P -","- C60 H47 B F22 Ga N P -","- C240 H188 B4 F88 Ga4 N4 P4 -","4","1","","Schwamm, Ryan J.; Bhide, Malavika A.; Nichol, Gary S.; Cowley, Michael J.","Reversible addition of ethene to gallium(i) monomers and dimers.","Chemical science","2025","16","29","13333","13344","10.1039/d4sc06894g","","x-ray","1.54184","CuKα","","0.1397","0.1136","","","0.2778","0.2932","","","","","","1.185","","","","has coordinates,has disorder","301444","2025-08-04","08:10:13",""
"1575303","14.3929","0.0005","14.7735","0.0005","21.6915","0.0006","90","","92.238","0.003","90","","4608.8","0.3","120.01","0.11","120.01","0.11","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C52 H41 B F15 Ga N P -","- C52 H41 B F15 Ga N P -","- C208 H164 B4 F60 Ga4 N4 P4 -","4","1","","Schwamm, Ryan J.; Bhide, Malavika A.; Nichol, Gary S.; Cowley, Michael J.","Reversible addition of ethene to gallium(i) monomers and dimers.","Chemical science","2025","16","29","13333","13344","10.1039/d4sc06894g","","x-ray","0.71073","MoKα","","0.078","0.0504","","","0.0882","0.0978","","","","","","1.043","","","","has coordinates,has disorder","301444","2025-08-04","08:10:24",""
"1575304","13.8266","0.0009","24.9376","0.0012","16.2676","0.0007","90","","111.413","0.006","90","","5221.9","0.5","100","0.1","100","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C108 H84 B2 F42 Ga2 N2 P2 -","- C108 H84 B2 F42 Ga2 N2 P2 -","- C216 H168 B4 F84 Ga4 N4 P4 -","2","0.5","","Schwamm, Ryan J.; Bhide, Malavika A.; Nichol, Gary S.; Cowley, Michael J.","Reversible addition of ethene to gallium(i) monomers and dimers.","Chemical science","2025","16","29","13333","13344","10.1039/d4sc06894g","","x-ray","1.54184","CuKα","","0.1186","0.0754","","","0.1922","0.2159","","","","","","1.051","","","","has coordinates,has disorder","301444","2025-08-04","08:10:24",""
"1575305","28.6854","0.0012","8.599","0.0003","21.4708","0.001","90","","90","","90","","5296.1","0.4","120.01","0.1","120.01","0.1","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C56 H78 D6 Ga2 N2 P2 -","- C56 H78 D6 Ga2 N2 P2 -","- C224 H312 D24 Ga8 N8 P8 -","4","1","","Schwamm, Ryan J.; Bhide, Malavika A.; Nichol, Gary S.; Cowley, Michael J.","Reversible addition of ethene to gallium(i) monomers and dimers.","Chemical science","2025","16","29","13333","13344","10.1039/d4sc06894g","","x-ray","0.71073","MoKα","","0.0588","0.0446","","","0.0763","0.0828","","","","","","1.081","","","","has coordinates,has disorder","301444","2025-08-04","08:10:25",""
"1575306","15.4213","0.0002","17.247","0.0003","31.7812","0.0005","90","","90","","90","","8452.9","0.2","120.01","0.1","120.01","0.1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C45 H40 B F15 Ga N P -","- C45 H40 B F15 Ga N P -","- C360 H320 B8 F120 Ga8 N8 P8 -","8","1","","Schwamm, Ryan J.; Bhide, Malavika A.; Nichol, Gary S.; Cowley, Michael J.","Reversible addition of ethene to gallium(i) monomers and dimers.","Chemical science","2025","16","29","13333","13344","10.1039/d4sc06894g","","x-ray","0.71073","MoKα","","0.0526","0.0396","","","0.0877","0.0936","","","","","","1.074","","","","has coordinates,has disorder","301444","2025-08-04","08:10:25",""
"1575308","5.83723","0.00009","11.91509","0.00019","23.6848","0.0004","90","","90","","90","","1647.3","0.05","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H23 N O2 -","- C19 H23 N O2 -","- C76 H92 N4 O8 -","4","1","","Ali, Siraj Z.; Manno, Nicolás A; Shen, Jeff; Schenker, Alessia; Lipshultz, Jeffrey M.; White, Nicholas A.; Radosevich, Alexander T.","Nitrilation of carboxylic acids by P<sup>III</sup>/P<sup>V</sup>-catalysis.","Chemical science","2025","16","35","16145","16150","10.1039/d5sc05216e","","","1.54178","CuKα","","0.0323","0.0314","","","0.0809","0.0818","","","","","","1.051","","","","has coordinates","302527","2025-10-06","07:49:32",""
"1575309","10.405","0.002","11.265","0.002","11.901","0.002","103.318","0.005","104.698","0.005","109.45","0.005","1194.1","0.4","130","2","130","","","","","","","","","4","P -1","-P 1","2","","","","- C33 H25 N O2 -","- C2.75 H2.08333 N0.0833333 O0.166667 -","- C66 H50 N2 O4 -","24","12","","Bera, Satyajit; Bhunia, Supriya; Dolai, Anirban; Box, Sk Majid; Das, Arpan; Samanta, Subhas","Arylpyrrolylidene-indanones as readily synthesised photoswitches offering dual- and single-colour fluorescence toggling with nearly quantitative <i>E</i>/<i>Z</i> isomerisation under visible light.","Chemical science","2025","16","35","16196","16204","10.1039/d5sc04551g","","","1.54178","CuKα","","0.0844","0.0801","","","0.2222","0.2289","","","","","","1.053","","","","has coordinates","302535","2025-10-06","07:55:17",""
"1575310","12.5474","0.0002","12.5474","0.0002","21.7649","0.0003","90","","90","","120","","2967.53","0.08","103","2","103","2","","","","","","","","5","R -3 :H","-R 3","148","","1a","","- C36 H36 Cu6 N6 S6 -","- C36 H36 Cu6 N6 S6 -","- C108 H108 Cu18 N18 S18 -","3","0.166667","","Toyama, Kazuki; Tanaka, Yuya; Yoshizawa, Michito","Multinuclear Cu <sub><i>n</i></sub> S <sub><i>m</i></sub> clusters encapsulated by aromatic micelles as aqueous red-to-NIR phosphorescent ink.","Chemical science","2025","16","36","16751","16756","10.1039/d5sc04122h","","x-ray","1.54184","CuKα","","0.0507","0.0505","","","0.1364","0.1364","","","","","","1.225","","","","has coordinates","302520","2025-10-06","07:47:38",""
"1575311","22.1291","0.0003","9.5391","0.0001","18.9461","0.0003","90","","94.215","0.001","90","","3988.55","0.09","103","2","103","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1c","","- C36 H36 Cu6 N6 S6 -","- C36 H36 Cu6 N6 S6 -","- C144 H144 Cu24 N24 S24 -","4","0.5","","Toyama, Kazuki; Tanaka, Yuya; Yoshizawa, Michito","Multinuclear Cu <sub><i>n</i></sub> S <sub><i>m</i></sub> clusters encapsulated by aromatic micelles as aqueous red-to-NIR phosphorescent ink.","Chemical science","2025","16","36","16751","16756","10.1039/d5sc04122h","","x-ray","1.54184","CuKα","","0.0247","0.0225","","","0.0585","0.0595","","","","","","1.053","","","","has coordinates","302520","2025-10-06","07:47:38",""
"1575312","20.1984","0.0005","6.0121","0.0005","29.4619","0.001","90","","92.317","0.003","90","","3574.8","0.3","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C21 H18 F3 N O3 -","- C21 H18 F3 N O3 -","- C168 H144 F24 N8 O24 -","8","2","","Lin, Chuiyi; Zhang, Jiwu; Zhang, Zhihan; Chong, Qinglei; Meng, Fanke","Cobalt-catalyzed diastereo- and enantioselective reductive coupling of cyclobutenes and aldehydes through umpolung reactivity.","Chemical science","2025","16","35","16250","16258","10.1039/d5sc03755g","","","1.54184","CuKα","","0.0601","0.0551","","","0.1118","0.1138","","","","","","1.136","","","","has coordinates","302538","2025-10-06","07:56:39",""
"1575313","10.5121","0.0008","12.4941","0.0006","20.0428","0.0005","90","","90","","90","","2632.4","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H27 N O4 -","- C33 H27 N O4 -","- C132 H108 N4 O16 -","4","1","","Lin, Chuiyi; Zhang, Jiwu; Zhang, Zhihan; Chong, Qinglei; Meng, Fanke","Cobalt-catalyzed diastereo- and enantioselective reductive coupling of cyclobutenes and aldehydes through umpolung reactivity.","Chemical science","2025","16","35","16250","16258","10.1039/d5sc03755g","","","1.54184","CuKα","","0.0293","0.0275","","","0.0694","0.0702","","","","","","1.029","","","","has coordinates","302538","2025-10-06","07:56:40",""
"1575315","12.1313","0.0002","13.8706","0.0002","18.5739","0.0002","88.012","0.001","77.103","0.001","78.727","0.001","2987.65","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","BO-2DBT","","- C38 H33 B O2 S -","- C38 H33 B O2 S -","- C152 H132 B4 O8 S4 -","4","2","","Chen, Rui; Li, Shengyu; Huang, Hao; Tong, Xingwen; Liu, Yuchao; Ren, Zhongjie; Ying, Shian; Liu, Liqun; Yan, Shouke","Achieving high efficiency ultrapure violet OLEDs with a CIE <sub><i>y</i></sub> coordinate of below 0.015 through precise manipulation of peripheral heavy atom sulfur.","Chemical science","2025","16","35","16304","16313","10.1039/d5sc03546e","","x-ray","1.54184","CuKα","","0.0795","0.0711","","","0.2116","0.2232","","","","","","1.083","","","","has coordinates","302534","2025-10-06","07:54:58",""
"1575316","12.9176","0.0005","18.834","0.0005","13.4181","0.0005","90","","115.122","0.004","90","","2955.7","0.2","100","1","100","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","BO-4DBT","","- C38 H33 B O2 S -","- C38 H33 B O2 S -","- C152 H132 B4 O8 S4 -","4","1","","Chen, Rui; Li, Shengyu; Huang, Hao; Tong, Xingwen; Liu, Yuchao; Ren, Zhongjie; Ying, Shian; Liu, Liqun; Yan, Shouke","Achieving high efficiency ultrapure violet OLEDs with a CIE <sub><i>y</i></sub> coordinate of below 0.015 through precise manipulation of peripheral heavy atom sulfur.","Chemical science","2025","16","35","16304","16313","10.1039/d5sc03546e","","x-ray","0.71073","MoKα","","0.0856","0.0722","","","0.2022","0.2091","","","","","","1.131","","","","has coordinates","302534","2025-10-06","07:54:59",""
"1575337","16.1192","0.0018","8.7748","0.0011","13.7546","0.0018","90","","90","","90","","1945.5","0.4","273.15","","273.15","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C16 H12 D F5 N2 O5 S2 -","- C16 H12 D F5 N2 O5 S2 -","- C64 H48 D4 F20 N8 O20 S8 -","4","1","","Sun, Chao; Shen, Yinpu; Li, Heyin; Wang, Zhen; Li, Yifan; Huang, Mengjun; Zou, Zhenlei; Liu, Jing; Liu, Ao; Pan, Yi; Zhang, Weigang; Wang, Yi","A practical photocatalytic strategy for radical (deuterio)difluoromethylation using imidazolium reagents.","Chemical science","2025","16","35","16039","16046","10.1039/d5sc02691a","","","1.54178","CuKα","","0.0601","0.0591","","","0.1563","0.1574","","","","","","1.038","","","","has coordinates","302532","2025-10-06","07:51:59",""
"1575338","15.9978","0.0006","8.6598","0.0003","13.6748","0.0005","90","","90","","90","","1894.48","0.12","193","","193","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C16 H13 F5 N2 O5 S2 -","- C16 H13 F5 N2 O5 S2 -","- C64 H52 F20 N8 O20 S8 -","4","1","","Sun, Chao; Shen, Yinpu; Li, Heyin; Wang, Zhen; Li, Yifan; Huang, Mengjun; Zou, Zhenlei; Liu, Jing; Liu, Ao; Pan, Yi; Zhang, Weigang; Wang, Yi","A practical photocatalytic strategy for radical (deuterio)difluoromethylation using imidazolium reagents.","Chemical science","2025","16","35","16039","16046","10.1039/d5sc02691a","","","0.71073","MoKα","","0.0572","0.0563","","","0.1136","0.1143","","","","","","1.211","","","","has coordinates","302532","2025-10-06","07:52:00",""
"1575339","18.6622","0.0013","18.6622","0.0013","21.2684","0.0016","90","","90","","90","","7407.3","0.9","296.15","","296.15","","","","","","","","","5","I 41/a m d :2","-I 4bd 2","141","","","","- C12 H23 Co N4 O7 -","- C12 H17 Co N4 O4 -","- C192 H272 Co16 N64 O64 -","16","0.5","","Tang, Baobing; Yu, Xueyue; Li, Guanghua; Liu, Xin; Li, Jiantang; Liu, Yunling","Ambidextrous fine-tuning of zeolite-like hydrogen-bonded organic frameworks (HOFs) <i>via</i> scalable green synthesis for efficient biogas upgrading.","Chemical science","2025","16","41","19130","19139","10.1039/d5sc02892b","","","0.71073","MoKα","","0.0585","0.036","","","0.0989","0.1133","","","","","","1.012","","","","has coordinates,has disorder","303600","2025-11-29","18:15:44",""
"1575340","17.2801","0.0003","17.2801","0.0003","23.4245","0.0011","90","","90","","90","","6994.6","0.4","200","","200","","","","","","","","","5","I 41/a m d :2","-I 4bd 2","141","","","","- C88 H120 Co8 N32 O32 -","- C88 H120 Co8 N32 O32 -","- C176 H240 Co16 N64 O64 -","2","0.0625","","Tang, Baobing; Yu, Xueyue; Li, Guanghua; Liu, Xin; Li, Jiantang; Liu, Yunling","Ambidextrous fine-tuning of zeolite-like hydrogen-bonded organic frameworks (HOFs) <i>via</i> scalable green synthesis for efficient biogas upgrading.","Chemical science","2025","16","41","19130","19139","10.1039/d5sc02892b","","","0.71073","MoKα","","0.0839","0.0712","","","0.2133","0.2286","","","","","","1.088","","","","has coordinates,has disorder","303600","2025-11-29","18:15:47",""
"1575353","40.3192","0.0008","12.8277","0.0002","18.5963","0.0003","90","","100.276","0.002","90","","9463.8","0.3","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C53 H60 Ce F2 N4 O3 -","- C53 H60 Ce F2 N4 O3 -","- C424 H480 Ce8 F16 N32 O24 -","8","1","","Yang, Qiaomu; Yu, Xiaojuan; Lapsheva, Ekaterina; Pandey, Pragati; Smith, Patrick W.; Gupta, Himanshu; Gau, Michael R.; Carroll, Patrick J.; Minasian, Stefan G.; Autschbach, Jochen; Schelter, Eric J.","Comparison of Ce(iv)/Th(iv)-alkynyl complexes and observation of a <i>trans</i>-influence ligand series for Ce(iv).","Chemical science","2025","16","36","16597","16609","10.1039/d5sc03222a","","x-ray","0.71073","MoKα","","0.0521","0.0365","","","0.0879","0.0945","","","","","","1.064","","","","has coordinates,has disorder","302521","2025-10-06","07:47:56",""
"1575354","11.9331","0.0003","17.7463","0.0004","21.5867","0.0009","90","","92.847","0.003","90","","4565.7","0.2","100","","100","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C39.5 H57 Cl3 N4 O3 Si Th -","- C39.5 H57 Cl3 N4 O3 Si Th -","- C158 H228 Cl12 N16 O12 Si4 Th4 -","4","2","","Yang, Qiaomu; Yu, Xiaojuan; Lapsheva, Ekaterina; Pandey, Pragati; Smith, Patrick W.; Gupta, Himanshu; Gau, Michael R.; Carroll, Patrick J.; Minasian, Stefan G.; Autschbach, Jochen; Schelter, Eric J.","Comparison of Ce(iv)/Th(iv)-alkynyl complexes and observation of a <i>trans</i>-influence ligand series for Ce(iv).","Chemical science","2025","16","36","16597","16609","10.1039/d5sc03222a","","x-ray","0.71073","MoKα","","0.0757","0.0601","","","0.1412","0.1475","","","","","","1.034","","","","has coordinates,has disorder","302521","2025-10-06","07:48:07",""
"1575355","9.6747","0.0002","24.1665","0.0005","18.4888","0.0004","90","","103.631","0.002","90","","4200.99","0.16","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40.75 H58.5 Ce N4 O3 Si -","- C40.75 H58.5 Ce N4 O3 Si -","- C163 H234 Ce4 N16 O12 Si4 -","4","1","","Yang, Qiaomu; Yu, Xiaojuan; Lapsheva, Ekaterina; Pandey, Pragati; Smith, Patrick W.; Gupta, Himanshu; Gau, Michael R.; Carroll, Patrick J.; Minasian, Stefan G.; Autschbach, Jochen; Schelter, Eric J.","Comparison of Ce(iv)/Th(iv)-alkynyl complexes and observation of a <i>trans</i>-influence ligand series for Ce(iv).","Chemical science","2025","16","36","16597","16609","10.1039/d5sc03222a","","x-ray","0.71073","MoKα","","0.0639","0.0555","","","0.1226","0.1254","","","","","","1.225","","","","has coordinates,has disorder","302521","2025-10-06","07:48:07",""
"1575356","5.4128","0.0004","8.147","0.0007","11.9744","0.0011","90","","90","","90","","528.05","0.08","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O2 S -","- C3 H7 N O2 S -","- C12 H28 N4 O8 S4 -","4","1","","Singh, Ashi; Avinash, Kiran; Pradhan, Amit Kumar; Prajapati, Aditya Kumar; Edwards, Alison J.; Thomas, Sajesh P.","Weak yet directional: supramolecular interactions of thiols unravelled by quantum crystallography.","Chemical science","2025","16","35","16016","16026","10.1039/d5sc04450b","","","0.71073","MoKα","","0.0142","0.0138","","","0.0306","0.0307","","","","","","1.1299","","","","has coordinates","302533","2025-10-06","07:54:12",""
"1575357","6.7946","0.0003","8.7946","0.0005","17.4457","0.0009","90","","90","","90","","1042.48","0.09","108","","108","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H15 N O3 S -","- C9 H15 N O3 S -","- C36 H60 N4 O12 S4 -","4","1","","Singh, Ashi; Avinash, Kiran; Pradhan, Amit Kumar; Prajapati, Aditya Kumar; Edwards, Alison J.; Thomas, Sajesh P.","Weak yet directional: supramolecular interactions of thiols unravelled by quantum crystallography.","Chemical science","2025","16","35","16016","16026","10.1039/d5sc04450b","","neutron","0.85","neutron","","0.0449","0.0519","","0.0212","0.0214","0.0212","","","","","","1.2196","","","","has coordinates","302533","2025-10-06","07:54:17",""
"1575358","5.0877","0.0002","5.8827","0.0002","6.5179","0.0002","96.464","0.001","103.867","0.001","102.09","0.001","182.448","0.011","288","1","288","1","","","","","","","","5","P 1","P 1","1","","","","- C5 H9 N O3 S -","- C5 H9 N O3 S -","- C5 H9 N O3 S -","1","1","","Singh, Ashi; Avinash, Kiran; Pradhan, Amit Kumar; Prajapati, Aditya Kumar; Edwards, Alison J.; Thomas, Sajesh P.","Weak yet directional: supramolecular interactions of thiols unravelled by quantum crystallography.","Chemical science","2025","16","35","16016","16026","10.1039/d5sc04450b","","","0.71073","MoKα","","0.0223","0.0209","","","0.0402","0.0411","","","","","","1.1446","","","","has coordinates","302533","2025-10-06","07:54:17",""
"1575359","9.4285","0.0008","10.0829","0.001","17.059","0.0018","97.899","0.004","90.41","0.003","115.472","0.003","1446.2","0.2","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C19 H16 S -","- C19 H16 S -","- C76 H64 S4 -","4","2","","Singh, Ashi; Avinash, Kiran; Pradhan, Amit Kumar; Prajapati, Aditya Kumar; Edwards, Alison J.; Thomas, Sajesh P.","Weak yet directional: supramolecular interactions of thiols unravelled by quantum crystallography.","Chemical science","2025","16","35","16016","16026","10.1039/d5sc04450b","","neutron","0.85","neutron","","0.0652","0.0805","","0.0359","0.0385","0.0359","","","","","","1.3676","","","","has coordinates","302533","2025-10-06","07:54:17",""
"1575360","6.8342","0.0002","8.8143","0.0003","17.9688","0.0007","90","","90","","90","","1082.42","0.06","298","1","298","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H15 N O3 S -","- C9 H15 N O3 S -","- C36 H60 N4 O12 S4 -","4","1","","Singh, Ashi; Avinash, Kiran; Pradhan, Amit Kumar; Prajapati, Aditya Kumar; Edwards, Alison J.; Thomas, Sajesh P.","Weak yet directional: supramolecular interactions of thiols unravelled by quantum crystallography.","Chemical science","2025","16","35","16016","16026","10.1039/d5sc04450b","","","0.71073","MoKα","","0.0558","0.0385","","","0.087","0.099","","","","","","1.0493","","","","has coordinates,has disorder","302533","2025-10-06","07:54:17",""
"1575361","5.0339","0.0005","5.7865","0.0005","6.4524","0.0006","95.908","0.003","103.03","0.003","102.643","0.003","176.36","0.03","109","1","109","1","","","","","","","","5","P 1","P 1","1","","","","- C5 H9 N O3 S -","- C5 H9 N O3 S -","- C5 H9 N O3 S -","1","1","","Singh, Ashi; Avinash, Kiran; Pradhan, Amit Kumar; Prajapati, Aditya Kumar; Edwards, Alison J.; Thomas, Sajesh P.","Weak yet directional: supramolecular interactions of thiols unravelled by quantum crystallography.","Chemical science","2025","16","35","16016","16026","10.1039/d5sc04450b","","","0.71073","MoKα","","0.0125","0.0124","","","0.0251","0.0251","","","","","","1.0267","","","","has coordinates","302533","2025-10-06","07:54:17",""
"1575362","5.1467","0.0003","14.1643","0.0008","16.5915","0.001","90","","96.929","0.002","90","","1200.68","0.12","100","1","100","1","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C4 H6 O4 S -","- C4 H6 O4 S -","- C32 H48 O32 S8 -","8","2","","Singh, Ashi; Avinash, Kiran; Pradhan, Amit Kumar; Prajapati, Aditya Kumar; Edwards, Alison J.; Thomas, Sajesh P.","Weak yet directional: supramolecular interactions of thiols unravelled by quantum crystallography.","Chemical science","2025","16","35","16016","16026","10.1039/d5sc04450b","","","0.71073","MoKα","","0.0404","0.0337","","","0.0618","0.0646","","","","","","1.0253","","","","has coordinates","302533","2025-10-06","07:54:17",""
"1575363","6.7827","0.0003","8.7826","0.0003","17.4217","0.0008","90","","90","","90","","1037.81","0.08","100","1","100","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H15 N O3 S -","- C9 H15 N O3 S -","- C36 H60 N4 O12 S4 -","4","1","","Singh, Ashi; Avinash, Kiran; Pradhan, Amit Kumar; Prajapati, Aditya Kumar; Edwards, Alison J.; Thomas, Sajesh P.","Weak yet directional: supramolecular interactions of thiols unravelled by quantum crystallography.","Chemical science","2025","16","35","16016","16026","10.1039/d5sc04450b","","","0.71073","MoKα","","0.018","0.0166","","","0.0304","0.0309","","","","","","1.059","","","","has coordinates","302533","2025-10-06","07:54:17",""
"1575364","3.8488","0.0005","6.0156","0.0006","14.45","0.0016","91.181","0.004","93.062","0.004","92.938","0.004","333.55","0.07","106","2","106","2","","","","","","","","4","P -1","-P 1","2","","","","- C7 H6 O2 S -","- C7 H6 O2 S -","- C14 H12 O4 S2 -","2","1","","Singh, Ashi; Avinash, Kiran; Pradhan, Amit Kumar; Prajapati, Aditya Kumar; Edwards, Alison J.; Thomas, Sajesh P.","Weak yet directional: supramolecular interactions of thiols unravelled by quantum crystallography.","Chemical science","2025","16","35","16016","16026","10.1039/d5sc04450b","","","0.71073","MoKα","","0.0262","0.0224","","","0.0482","0.05","","","","","","1.0837","","","","has coordinates","302533","2025-10-06","07:54:17",""
"1575365","7.8812","0.0005","5.9679","0.0004","15.0099","0.0011","90","","100.382","0.003","90","","694.42","0.08","305","1","305","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H6 O2 S -","- C7 H6 O2 S -","- C28 H24 O8 S4 -","4","1","","Singh, Ashi; Avinash, Kiran; Pradhan, Amit Kumar; Prajapati, Aditya Kumar; Edwards, Alison J.; Thomas, Sajesh P.","Weak yet directional: supramolecular interactions of thiols unravelled by quantum crystallography.","Chemical science","2025","16","35","16016","16026","10.1039/d5sc04450b","","","0.71073","MoKα","","0.0458","0.0325","","","0.0685","0.075","","","","","","1.1002","","","","has coordinates","302533","2025-10-06","07:54:17",""
"1575366","7.8323","0.0007","5.9007","0.0006","14.6472","0.0014","90","","100.346","0.004","90","","665.93","0.11","100","1","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H6 O2 S -","- C7 H6 O2 S -","- C28 H24 O8 S4 -","4","1","","Singh, Ashi; Avinash, Kiran; Pradhan, Amit Kumar; Prajapati, Aditya Kumar; Edwards, Alison J.; Thomas, Sajesh P.","Weak yet directional: supramolecular interactions of thiols unravelled by quantum crystallography.","Chemical science","2025","16","35","16016","16026","10.1039/d5sc04450b","","","0.71073","MoKα","","0.0215","0.0195","","","0.0406","0.0414","","","","","","1.1854","","","","has coordinates","302533","2025-10-06","07:54:17",""
"1575367","9.5965","0.0002","10.3127","0.0003","17.1393","0.0005","97.46","0.001","90.062","0.001","116.424","0.001","1502.82","0.07","300","1","300","1","","","","","","","","3","P -1","-P 1","2","","","","- C19 H16 S -","- C19 H16 S -","- C76 H64 S4 -","4","2","","Singh, Ashi; Avinash, Kiran; Pradhan, Amit Kumar; Prajapati, Aditya Kumar; Edwards, Alison J.; Thomas, Sajesh P.","Weak yet directional: supramolecular interactions of thiols unravelled by quantum crystallography.","Chemical science","2025","16","35","16016","16026","10.1039/d5sc04450b","","","0.71073","MoKα","","0.053","0.0333","","","0.0711","0.084","","","","","","1.0938","","","","has coordinates","302533","2025-10-06","07:54:17",""
"1575368","6.7946","0.0003","8.7946","0.0005","17.4457","0.0009","90","","90","","90","","1042.48","0.09","108","1","108","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H15 N O3 S -","- C9 H15 N O3 S -","- C36 H60 N4 O12 S4 -","4","1","","Singh, Ashi; Avinash, Kiran; Pradhan, Amit Kumar; Prajapati, Aditya Kumar; Edwards, Alison J.; Thomas, Sajesh P.","Weak yet directional: supramolecular interactions of thiols unravelled by quantum crystallography.","Chemical science","2025","16","35","16016","16026","10.1039/d5sc04450b","","","0.71073","MoKα","","0.0224","0.0203","","","0.0388","0.0395","","","","","","1.176","","","","has coordinates","302533","2025-10-06","07:54:17",""
"1575369","9.1293","0.0001","9.1293","0.0001","29.9464","0.0008","90","","90","","120","","2161.47","0.07","173","2","173","2","","","","","","","","5","P 31","P 31","144","","","","- C33 H29 Cl N2 O2 -","- C33 H29 Cl N2 O2 -","- C99 H87 Cl3 N6 O6 -","3","1","","Liu, Zhili; Ning, Lichao; Yang, Bingqian; Wang, Kaixuan; Lin, Lili; Feng, Xiaoming","Unveiling the migration reactivity of bicyclic diaziridines: enantioselective synthesis of chiral pyrazolines.","Chemical science","2025","16","36","16584","16589","10.1039/d5sc04846j","","","1.54178","CuKα","","0.0275","0.0269","","","0.0676","0.068","","","","","","1.044","","","","has coordinates","302519","2025-10-06","07:47:29",""
"1575397","16.14702","0.00014","26.9656","0.0002","9.27142","0.00009","90","","104.851","0.001","90","","3902.06","0.06","120.01","0.1","120.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H34 Cd N6 O5 -","- C50 H34 Cd N6 O5 -","- C200 H136 Cd4 N24 O20 -","4","1","","Yan, Xinyue; Song, Shi-Yu; Liang, Shicong; Liu, Kai-Kai; Liu, Xiao-Ting; Lu, Chao","Regulating through-space charge transfer interactions in donor-acceptor MOFs for thermally activated delayed fluorescence and X-ray scintillators.","Chemical science","2025","16","36","16770","16779","10.1039/d5sc02235e","","x-ray","1.54184","CuKα","","0.0262","0.0247","","","0.0659","0.0668","","","","","","1.039","","","","has coordinates","302523","2025-10-06","07:48:35",""
"1575398","27.35","0.0003","11.0237","0.0001","29.4404","0.0003","90","","90","","90","","8876.23","0.16","298.68","0.1","298.68","0.1","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C56 H34 Cd N6 O5 -","- C57 H34 Cd N6 O5 -","- C456 H272 Cd8 N48 O40 -","8","1","","Yan, Xinyue; Song, Shi-Yu; Liang, Shicong; Liu, Kai-Kai; Liu, Xiao-Ting; Lu, Chao","Regulating through-space charge transfer interactions in donor-acceptor MOFs for thermally activated delayed fluorescence and X-ray scintillators.","Chemical science","2025","16","36","16770","16779","10.1039/d5sc02235e","","x-ray","1.54178","CuKα","","0.0457","0.0449","","","0.1264","0.127","","","","","","1.075","","","","has coordinates","302523","2025-10-06","07:48:35",""
"1575399","11.2321","0.0001","18.6009","0.0002","21.5863","0.0002","84.55","0.001","89.837","0.001","79.411","0.001","4412.63","0.08","99.95","0.16","99.95","0.16","","","","","","","","5","P -1","-P 1","2","","","","- C104 H68 Cd2 N12 O10 -","- C104 H68 Cd2 N12 O10 -","- C208 H136 Cd4 N24 O20 -","2","1","","Yan, Xinyue; Song, Shi-Yu; Liang, Shicong; Liu, Kai-Kai; Liu, Xiao-Ting; Lu, Chao","Regulating through-space charge transfer interactions in donor-acceptor MOFs for thermally activated delayed fluorescence and X-ray scintillators.","Chemical science","2025","16","36","16770","16779","10.1039/d5sc02235e","","x-ray","1.54184","CuKα","","0.0771","0.0707","","","0.1949","0.2002","","","","","","1.061","","","","has coordinates,has disorder","302523","2025-10-06","07:48:35",""
"1575400","9.8918","0.0003","8.8858","0.0003","17.4486","0.0006","90","","99.352","0.001","90","","1513.29","0.09","20","","20","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[CoCl(Cl-tPy)]","","- C15 H10 Cl3 Co N3 -","- C15 H10 Cl6 Co2 N3 -","- C60 H40 Cl24 Co8 N12 -","4","1","","Slavensky, Hannah H.; Parmar, Vijay S.; Leiszner, Sofie S.; Thiel, Andreas M.; Lassen, Helene; Calder, Stuart; Kibalin, Iurii; Iversen, Bo B.","Experimental determination of the magnetic anisotropy in five-coordinated Co(ii) field-induced single molecule magnets.","Chemical science","2025","16","36","16610","16624","10.1039/d5sc03103f","","","0.2488","synchrotron","","0.0114","0.0093","","","","0.0136","0.0167","","","","","0.8733","","","","has coordinates","302522","2025-10-06","07:48:19",""
"1575401","10.8633","0.0003","8.393","0.0003","17.7573","0.0005","90","","102.09","0.001","90","","1583.12","0.08","20","","20","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 Br2 Cl Co N3 -","- C15 H10 Br2 Cl Co N3 -","- C60 H40 Br8 Cl4 Co4 N12 -","4","1","","Slavensky, Hannah H.; Parmar, Vijay S.; Leiszner, Sofie S.; Thiel, Andreas M.; Lassen, Helene; Calder, Stuart; Kibalin, Iurii; Iversen, Bo B.","Experimental determination of the magnetic anisotropy in five-coordinated Co(ii) field-induced single molecule magnets.","Chemical science","2025","16","36","16610","16624","10.1039/d5sc03103f","","","0.2488","synchrotron","","0.014","0.0095","","","","0.0141","0.0135","","","","","0.8639","","","","has coordinates","302522","2025-10-06","07:48:19",""
"1575410","17.52","0.004","19.89","0.004","34.14","0.007","103.49","0.03","94.55","0.03","112.42","0.03","10505","5","100","2","100","2","","","","","","","","2","P -1","-P 1","2","","","","- C258 H202 -","- C258 H202 -","- C516 H404 -","2","1","","Niu, Wenhui; Fang, Chi; Tang, Likun; Unsal, Elif; Fu, Yubin; Deka, Jitul; Liu, Fupin; Popov, Alexey A.; Wu, Fupeng; Shi, Huanhuan; Komber, Hartmut; Dianat, Arezoo; Gutierrez, Rafael; Ma, Ji; Sang, Yutao; Cuniberti, Gianaurelio; Parkin, Stuart S. P.","Lateral π-extended helical nanographenes with large spin polarization.","Chemical science","2025","16","45","21446","21453","10.1039/d5sc03887a","","","0.7749","synchrotron","","0.1765","0.0908","","","0.2354","0.2873","","","","","","0.936","","","","has coordinates","303664","2025-11-29","18:42:17",""
"1575461","14.0034","0.0011","14.5552","0.0011","14.8701","0.0011","71.802","0.006","77.731","0.006","88.727","0.006","2810.3","0.4","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C58 H82 Ag N5 Si2 -","- C58 H82 Ag N5 Si2 -","- C116 H164 Ag2 N10 Si4 -","2","1","","Sun, Xiaofei; Jin, Da; Yadav, Ravi; Kraetschmer, Frederic; Köppe, Ralf; Roesky, Peter W.","On-demand switching from mono-silylene to bis-silylene to access mono-, di- and mixed coinage metal complexes.","Chemical science","2025","16","35","16057","16062","10.1039/d5sc04287a","","x-ray","0.71073","MoKα","","0.0461","0.0329","","","0.0833","0.0864","","","","","","1.056","","","","has coordinates,has disorder","302528","2025-10-06","07:49:57",""
"1575462","23.348","0.006","13.839","0.004","25.682","0.009","90","","112.95","0.02","90","","7641","4","110","","110","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C84 H85 Ag Au D24 N5 Si2 -","- C84 H85 Ag Au D24 N5 Si2 -","- C336 H340 Ag4 Au4 D96 N20 Si8 -","4","0.5","","Sun, Xiaofei; Jin, Da; Yadav, Ravi; Kraetschmer, Frederic; Köppe, Ralf; Roesky, Peter W.","On-demand switching from mono-silylene to bis-silylene to access mono-, di- and mixed coinage metal complexes.","Chemical science","2025","16","35","16057","16062","10.1039/d5sc04287a","","x-ray","0.71073","MoKα","","0.0766","0.0436","","","0.0898","0.1027","","","","","","1.017","","","","has coordinates,has disorder","302528","2025-10-06","07:49:57",""
"1575463","23.4582","0.0017","13.7319","0.0008","25.714","0.0019","90","","113.237","0.005","90","","7611.2","0.9","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C84 H85 Au2 D24 N5 Si2 -","- C84 H85 Au2 D24 N5 Si2 -","- C336 H340 Au8 D96 N20 Si8 -","4","0.5","","Sun, Xiaofei; Jin, Da; Yadav, Ravi; Kraetschmer, Frederic; Köppe, Ralf; Roesky, Peter W.","On-demand switching from mono-silylene to bis-silylene to access mono-, di- and mixed coinage metal complexes.","Chemical science","2025","16","35","16057","16062","10.1039/d5sc04287a","","x-ray","0.71073","MoKα","","0.0495","0.0365","","","0.0941","0.0989","","","","","","1.046","","","","has coordinates,has disorder","302528","2025-10-06","07:49:57",""
"1575464","7.325","0.0003","8.2648","0.0004","13.297","0.0006","92.91","0.004","103.14","0.004","92.282","0.004","781.82","0.06","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H23 Au N2 -","- C16 H23 Au N2 -","- C32 H46 Au2 N4 -","2","1","","Sun, Xiaofei; Jin, Da; Yadav, Ravi; Kraetschmer, Frederic; Köppe, Ralf; Roesky, Peter W.","On-demand switching from mono-silylene to bis-silylene to access mono-, di- and mixed coinage metal complexes.","Chemical science","2025","16","35","16057","16062","10.1039/d5sc04287a","","x-ray","0.71073","MoKα","","0.0309","0.0285","","","0.0772","0.078","","","","","","1.142","","","","has coordinates","302528","2025-10-06","07:49:57",""
"1575465","12.4819","0.0019","15.9578","0.0012","16.797","0.0014","71.514","0.006","69.239","0.01","70.868","0.01","2878.2","0.6","110","","110","","","","","","","","","6","P -1","-P 1","2","","","","- C60 H74 Au D9 N5 Si2 -","- C60 H74 Au D9 N5 Si2 -","- C120 H148 Au2 D18 N10 Si4 -","2","1","","Sun, Xiaofei; Jin, Da; Yadav, Ravi; Kraetschmer, Frederic; Köppe, Ralf; Roesky, Peter W.","On-demand switching from mono-silylene to bis-silylene to access mono-, di- and mixed coinage metal complexes.","Chemical science","2025","16","35","16057","16062","10.1039/d5sc04287a","","x-ray","0.71073","MoKα","","0.0353","0.0294","","","0.0713","0.0736","","","","","","1.038","","","","has coordinates,has disorder","302528","2025-10-06","07:49:57",""
"1575466","13.0057","0.001","25.263","0.002","17.7227","0.0015","90","","98.425","0.006","90","","5760.2","0.8","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H85 Ag2 N5 Si2 -","- C60 H85 Ag2 N5 Si2 -","- C240 H340 Ag8 N20 Si8 -","4","1","","Sun, Xiaofei; Jin, Da; Yadav, Ravi; Kraetschmer, Frederic; Köppe, Ralf; Roesky, Peter W.","On-demand switching from mono-silylene to bis-silylene to access mono-, di- and mixed coinage metal complexes.","Chemical science","2025","16","35","16057","16062","10.1039/d5sc04287a","","","1.34143","GaKα","","0.0315","0.0232","","","0.0561","0.0576","","","","","","0.952","","","","has coordinates,has disorder","302528","2025-10-06","07:49:57",""
"1575467","39.2308","0.0009","18.5805","0.0003","21.8747","0.0005","90","","105.85","0.002","90","","15338.8","0.6","110","","110","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C84 H109 Au2 N5 Si2 -","- C60 H85 Au2 N5 Si2 -","- C480 H680 Au16 N40 Si16 -","8","1","","Sun, Xiaofei; Jin, Da; Yadav, Ravi; Kraetschmer, Frederic; Köppe, Ralf; Roesky, Peter W.","On-demand switching from mono-silylene to bis-silylene to access mono-, di- and mixed coinage metal complexes.","Chemical science","2025","16","35","16057","16062","10.1039/d5sc04287a","","x-ray","0.71073","MoKα","","0.0678","0.0596","","","0.1433","0.1486","","","","","","1.068","","","","has coordinates","302528","2025-10-06","07:49:57",""
"1575468","9.8944","0.0004","10.078","0.0004","27.6271","0.0011","90","","90","","90","","2754.86","0.19","120.01","0.1","120.01","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H18 I N O3 -","- C12 H18 I N O3 -","- C96 H144 I8 N8 O24 -","8","1","","Hakkarainen, Eetu; Lin, Hao-Cheng; Nechaev, Anton A.; Peshkov, Vsevolod A.; Eskelinen, Toni; Chang, Kai-Hsin; Liao, Tzu-Hao; Chen, Po-Yu; Koshevoy, Igor O.; Lin, Hao-Wu; Chou, Pi-Tai; Belyaev, Andrey","Metal-free pyridinium salts with strong room-temperature phosphorescence and microsecond radiative lifetime.","Chemical science","2025","16","37","17261","17267","10.1039/d5sc03813h","","x-ray","0.71073","MoKα","","0.0347","0.025","","","0.0631","0.0671","","","","","","1.063","","","","has coordinates","302483","2025-10-06","07:33:58",""
"1575469","8.5894","0.0002","16.0241","0.0004","10.5135","0.0003","90","","92.256","0.002","90","","1445.93","0.06","120.01","0.1","120.01","0.1","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C13 H20 I N O3 -","- C13 H20 I N O3 -","- C52 H80 I4 N4 O12 -","4","1","","Hakkarainen, Eetu; Lin, Hao-Cheng; Nechaev, Anton A.; Peshkov, Vsevolod A.; Eskelinen, Toni; Chang, Kai-Hsin; Liao, Tzu-Hao; Chen, Po-Yu; Koshevoy, Igor O.; Lin, Hao-Wu; Chou, Pi-Tai; Belyaev, Andrey","Metal-free pyridinium salts with strong room-temperature phosphorescence and microsecond radiative lifetime.","Chemical science","2025","16","37","17261","17267","10.1039/d5sc03813h","","x-ray","0.71073","MoKα","","0.0188","0.0181","","","0.0414","0.0419","","","","","","1.043","","","","has coordinates","302483","2025-10-06","07:34:00",""
"1575470","9.09315","0.00015","8.55139","0.00012","11.5954","0.0002","90","","106.709","0.0019","90","","863.58","0.03","150.01","0.1","150.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H10 I N -","- C7 H10 I N -","- C28 H40 I4 N4 -","4","1","","Hakkarainen, Eetu; Lin, Hao-Cheng; Nechaev, Anton A.; Peshkov, Vsevolod A.; Eskelinen, Toni; Chang, Kai-Hsin; Liao, Tzu-Hao; Chen, Po-Yu; Koshevoy, Igor O.; Lin, Hao-Wu; Chou, Pi-Tai; Belyaev, Andrey","Metal-free pyridinium salts with strong room-temperature phosphorescence and microsecond radiative lifetime.","Chemical science","2025","16","37","17261","17267","10.1039/d5sc03813h","","x-ray","1.54184","CuKα","","0.0366","0.0349","","","0.0976","0.1012","","","","","","0.839","","","","has coordinates","302483","2025-10-06","07:34:04",""
"1575471","6.6275","0.0001","11.3005","0.0001","14.8296","0.0002","90","","98.507","0.001","90","","1098.43","0.02","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H14 I N O3 -","- C9 H14 I N O3 -","- C36 H56 I4 N4 O12 -","4","1","","Hakkarainen, Eetu; Lin, Hao-Cheng; Nechaev, Anton A.; Peshkov, Vsevolod A.; Eskelinen, Toni; Chang, Kai-Hsin; Liao, Tzu-Hao; Chen, Po-Yu; Koshevoy, Igor O.; Lin, Hao-Wu; Chou, Pi-Tai; Belyaev, Andrey","Metal-free pyridinium salts with strong room-temperature phosphorescence and microsecond radiative lifetime.","Chemical science","2025","16","37","17261","17267","10.1039/d5sc03813h","","x-ray","1.54184","CuKα","","0.0234","0.0229","","","0.0639","0.0644","","","","","","1.091","","","","has coordinates","302483","2025-10-06","07:34:05",""
"1575472","9.2772","0.0001","16.3448","0.0002","7.9435","0.0001","90","","99.375","0.001","90","","1188.42","0.02","120","0.1","120","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H16 Br N O3 -","- C11 H16 Br N O3 -","- C44 H64 Br4 N4 O12 -","4","1","","Hakkarainen, Eetu; Lin, Hao-Cheng; Nechaev, Anton A.; Peshkov, Vsevolod A.; Eskelinen, Toni; Chang, Kai-Hsin; Liao, Tzu-Hao; Chen, Po-Yu; Koshevoy, Igor O.; Lin, Hao-Wu; Chou, Pi-Tai; Belyaev, Andrey","Metal-free pyridinium salts with strong room-temperature phosphorescence and microsecond radiative lifetime.","Chemical science","2025","16","37","17261","17267","10.1039/d5sc03813h","","x-ray","1.54184","CuKα","","0.0278","0.0248","","","0.0642","0.0657","","","","","","1.063","","","","has coordinates","302483","2025-10-06","07:34:05",""
"1575473","14.3171","0.0004","10.7495","0.0004","8.9701","0.0002","90","","90.739","0.002","90","","1380.4","0.07","150.01","0.1","150.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H18 I N O3 -","- C12 H18 I N O3 -","- C48 H72 I4 N4 O12 -","4","1","","Hakkarainen, Eetu; Lin, Hao-Cheng; Nechaev, Anton A.; Peshkov, Vsevolod A.; Eskelinen, Toni; Chang, Kai-Hsin; Liao, Tzu-Hao; Chen, Po-Yu; Koshevoy, Igor O.; Lin, Hao-Wu; Chou, Pi-Tai; Belyaev, Andrey","Metal-free pyridinium salts with strong room-temperature phosphorescence and microsecond radiative lifetime.","Chemical science","2025","16","37","17261","17267","10.1039/d5sc03813h","","x-ray","1.54184","CuKα","","0.0651","0.0617","","","0.162","0.1656","","","","","","1.036","","","","has coordinates,has disorder","302483","2025-10-06","07:34:05",""
"1575474","6.3438","0.0002","12.3508","0.0004","15.0717","0.0004","90","","98.931","0.003","90","","1166.57","0.06","120","11","120","11","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H64 I4 N4 O12 -","- C40 H64 I4 N4 O12 -","- C40 H64 I4 N4 O12 -","1","0.25","","Hakkarainen, Eetu; Lin, Hao-Cheng; Nechaev, Anton A.; Peshkov, Vsevolod A.; Eskelinen, Toni; Chang, Kai-Hsin; Liao, Tzu-Hao; Chen, Po-Yu; Koshevoy, Igor O.; Lin, Hao-Wu; Chou, Pi-Tai; Belyaev, Andrey","Metal-free pyridinium salts with strong room-temperature phosphorescence and microsecond radiative lifetime.","Chemical science","2025","16","37","17261","17267","10.1039/d5sc03813h","","x-ray","0.71073","MoKα","","0.0269","0.0225","","","0.0517","0.0535","","","","","","1.049","","","","has coordinates","302483","2025-10-06","07:34:05",""
"1575475","8.9463","0.0001","12.7534","0.0003","17.3129","0.0003","105.939","0.002","93.744","0.002","94.017","0.001","1887.35","0.06","120","0.1","120","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C30 H38 I2 N2 O6 -","- C30 H38 I2 N2 O6 -","- C60 H76 I4 N4 O12 -","2","1","","Hakkarainen, Eetu; Lin, Hao-Cheng; Nechaev, Anton A.; Peshkov, Vsevolod A.; Eskelinen, Toni; Chang, Kai-Hsin; Liao, Tzu-Hao; Chen, Po-Yu; Koshevoy, Igor O.; Lin, Hao-Wu; Chou, Pi-Tai; Belyaev, Andrey","Metal-free pyridinium salts with strong room-temperature phosphorescence and microsecond radiative lifetime.","Chemical science","2025","16","37","17261","17267","10.1039/d5sc03813h","","x-ray","1.54184","CuKα","","0.0804","0.0697","","","0.1966","0.2054","","","","","","1.094","","","","has coordinates,has disorder","302483","2025-10-06","07:34:05",""
"1575476","15.38142","0.00013","9.39589","0.00008","27.96","0.0002","90","","104.793","0.0009","90","","3906.9","0.06","120","0.1","120","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C74 H88 Cl4 I4 N4 O12 -","- C74 H88 Cl4 I4 N4 O12 -","- C148 H176 Cl8 I8 N8 O24 -","2","0.5","","Hakkarainen, Eetu; Lin, Hao-Cheng; Nechaev, Anton A.; Peshkov, Vsevolod A.; Eskelinen, Toni; Chang, Kai-Hsin; Liao, Tzu-Hao; Chen, Po-Yu; Koshevoy, Igor O.; Lin, Hao-Wu; Chou, Pi-Tai; Belyaev, Andrey","Metal-free pyridinium salts with strong room-temperature phosphorescence and microsecond radiative lifetime.","Chemical science","2025","16","37","17261","17267","10.1039/d5sc03813h","","x-ray","1.54184","CuKα","","0.0419","0.0375","","","0.0995","0.1033","","","","","","1.026","","","","has coordinates","302483","2025-10-06","07:34:05",""
"1575477","7.7243","0.0003","7.7243","0.0003","6.2204","0.0004","90","","90","","120","","321.42","0.03","293","","293","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- Ga2 In3 K S8 -","- Ga2 In3 K S8 -","- Ga2 In3 K S8 -","1","0.0833333","","Xie, Yun; Yao, Wen-Dong; Du, Qiu-Yang; Zhou, Wenfeng; Suen, Nian-Tzu; Liu, Wenlong; Guo, Sheng-Ping","From NaSc<sub>3</sub>Ga<sub>2</sub>Q<sub>8</sub> (Q = S, Se) to KGa<sub>2</sub>In<sub>3</sub>S<sub>8</sub>: substitution of Sc<sup>3+</sup> with In<sup>3+</sup> to achieve doubled birefringence.","Chemical science","2025","16","37","17207","17213","10.1039/d5sc03501e","","","0.71073","MoKα","","0.0226","0.0225","","","0.0619","0.062","","","","","","1.157","","","","has coordinates","302486","2025-10-06","07:35:13",""
"1575478","7.6307","0.0003","7.6307","0.0003","6.1118","0.0003","90","","90","","120","","308.2","0.02","293","","293","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- Ga2 Na S8 Sc3 -","- Ga2 Na S8 Sc3 -","- Ga2 Na S8 Sc3 -","1","0.0833333","","Xie, Yun; Yao, Wen-Dong; Du, Qiu-Yang; Zhou, Wenfeng; Suen, Nian-Tzu; Liu, Wenlong; Guo, Sheng-Ping","From NaSc<sub>3</sub>Ga<sub>2</sub>Q<sub>8</sub> (Q = S, Se) to KGa<sub>2</sub>In<sub>3</sub>S<sub>8</sub>: substitution of Sc<sup>3+</sup> with In<sup>3+</sup> to achieve doubled birefringence.","Chemical science","2025","16","37","17207","17213","10.1039/d5sc03501e","","","0.71073","MoKα","","0.0096","0.0095","","","0.0258","0.0258","","","","","","1.291","","","","has coordinates","302486","2025-10-06","07:35:13",""
"1575479","7.9489","0.0004","7.9489","0.0004","6.4065","0.0004","90","","90","","120","","350.56","0.03","293","","293","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- Ga2 Na Sc3 Se8 -","- Ga2 Na Sc3 Se8 -","- Ga2 Na Sc3 Se8 -","1","0.0833333","","Xie, Yun; Yao, Wen-Dong; Du, Qiu-Yang; Zhou, Wenfeng; Suen, Nian-Tzu; Liu, Wenlong; Guo, Sheng-Ping","From NaSc<sub>3</sub>Ga<sub>2</sub>Q<sub>8</sub> (Q = S, Se) to KGa<sub>2</sub>In<sub>3</sub>S<sub>8</sub>: substitution of Sc<sup>3+</sup> with In<sup>3+</sup> to achieve doubled birefringence.","Chemical science","2025","16","37","17207","17213","10.1039/d5sc03501e","","","0.71073","MoKα","","0.0144","0.0129","","","0.0302","0.0307","","","","","","1.249","","","","has coordinates","302486","2025-10-06","07:35:13",""
"1575505","14.3647","0.0002","14.9049","0.0002","16.6539","0.0002","90","","114.959","0.002","90","","3232.68","0.09","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H40 Au F3 N2 Se -","- C34 H40 Au F3 N2 Se -","- C136 H160 Au4 F12 N8 Se4 -","4","1","","Arnaut, Pierre; Pozsoni, Nestor Bracho; Bondar, Denys; Lippmann, Petra; Boschuk, Susanne; Semenyuta, Ivan; Bhandary, Subhrajyoti; Van Hecke, Kristof; Karpichev, Yevgen; Cavarzerani, Enrico; Canzonieri, Vincenzo; Rizzolio, Flavio; Scattolin, Thomas; Vougioukalakis, Georgios C.; Ott, Ingo; Tzouras, Nikolaos V.; Nolan, Steven P.","A new generation of N-heterocyclic carbene (NHC) gold-selenolato complexes as potent anticancer agents: distinct synthetic routes and evaluation in 2D and 3D cancer models.","Chemical science","2025","16","37","17221","17231","10.1039/d5sc04490a","","x-ray","1.54184","CuKα","","0.036","0.0286","","","0.0649","0.0683","","","","","","1.026","","","","has coordinates,has disorder","302479","2025-10-06","07:30:49",""
"1575506","16.2159","0.0001","12.088","0.0001","19.2106","0.0001","90","","100.741","0.001","90","","3699.64","0.04","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H57 Au N2 Se -","- C41 H57 Au N2 Se -","- C164 H228 Au4 N8 Se4 -","4","1","","Arnaut, Pierre; Pozsoni, Nestor Bracho; Bondar, Denys; Lippmann, Petra; Boschuk, Susanne; Semenyuta, Ivan; Bhandary, Subhrajyoti; Van Hecke, Kristof; Karpichev, Yevgen; Cavarzerani, Enrico; Canzonieri, Vincenzo; Rizzolio, Flavio; Scattolin, Thomas; Vougioukalakis, Georgios C.; Ott, Ingo; Tzouras, Nikolaos V.; Nolan, Steven P.","A new generation of N-heterocyclic carbene (NHC) gold-selenolato complexes as potent anticancer agents: distinct synthetic routes and evaluation in 2D and 3D cancer models.","Chemical science","2025","16","37","17221","17231","10.1039/d5sc04490a","","x-ray","1.54184","CuKα","","0.0221","0.0204","","","0.0494","0.0501","","","","","","1.065","","","","has coordinates","302479","2025-10-06","07:30:52",""
"1575507","8.7144","0.0002","20.8566","0.0004","20.6486","0.0004","90","","97.971","0.002","90","","3716.68","0.13","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C43 H45 Au N2 Se -","- C43 H45 Au N2 Se -","- C172 H180 Au4 N8 Se4 -","4","1","","Arnaut, Pierre; Pozsoni, Nestor Bracho; Bondar, Denys; Lippmann, Petra; Boschuk, Susanne; Semenyuta, Ivan; Bhandary, Subhrajyoti; Van Hecke, Kristof; Karpichev, Yevgen; Cavarzerani, Enrico; Canzonieri, Vincenzo; Rizzolio, Flavio; Scattolin, Thomas; Vougioukalakis, Georgios C.; Ott, Ingo; Tzouras, Nikolaos V.; Nolan, Steven P.","A new generation of N-heterocyclic carbene (NHC) gold-selenolato complexes as potent anticancer agents: distinct synthetic routes and evaluation in 2D and 3D cancer models.","Chemical science","2025","16","37","17221","17231","10.1039/d5sc04490a","","x-ray","1.54184","CuKα","","0.0369","0.0285","","","0.0643","0.0677","","","","","","1.061","","","","has coordinates","302479","2025-10-06","07:31:02",""
"1575508","16.7867","0.0002","12.45932","0.00018","14.675","0.0003","90","","90","","90","","3069.29","0.09","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C33 H43 Au N2 Se -","- C33 H43 Au N2 Se -","- C132 H172 Au4 N8 Se4 -","4","1","","Arnaut, Pierre; Pozsoni, Nestor Bracho; Bondar, Denys; Lippmann, Petra; Boschuk, Susanne; Semenyuta, Ivan; Bhandary, Subhrajyoti; Van Hecke, Kristof; Karpichev, Yevgen; Cavarzerani, Enrico; Canzonieri, Vincenzo; Rizzolio, Flavio; Scattolin, Thomas; Vougioukalakis, Georgios C.; Ott, Ingo; Tzouras, Nikolaos V.; Nolan, Steven P.","A new generation of N-heterocyclic carbene (NHC) gold-selenolato complexes as potent anticancer agents: distinct synthetic routes and evaluation in 2D and 3D cancer models.","Chemical science","2025","16","37","17221","17231","10.1039/d5sc04490a","","x-ray","1.54184","CuKα","","0.0639","0.0502","","","0.1156","0.1244","","","","","","1.036","","","","has coordinates","302479","2025-10-06","07:31:12",""
"1575509","24.2212","0.0007","13.1556","0.0004","24.2421","0.0008","90","","114.608","0.002","90","","7023","0.4","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","MB043","","- C55 H105 N O2 S Sb2 Si8 -","- C55 H105 N O2 S Sb2 Si8 -","- C220 H420 N4 O8 S4 Sb8 Si32 -","4","1","","Palui, Prasenjit; Bollenbeck, Matthias; Meleschko, Daniel; Brehm, Philipp; Gomila, Rosa M.; Schnakenburg, Gregor; Frontera, Antonio; Bismuto, Alessandro","Azadistibiridines and stabilised-iminobismuthane: reactivity of small inorganic rings in heavy main group chemistry.","Chemical science","2025","16","36","16894","16903","10.1039/d5sc03416g","","x-ray","0.71073","MoKα","","0.0878","0.0494","","","0.1072","0.1235","","","","","","1.001","","","","has coordinates","302518","2025-10-06","07:47:14",""
"1575510","24.8225","0.0013","13.0211","0.0006","24.1973","0.0012","90","","116.486","0.002","90","","7000.1","0.6","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","PP-TR75","","- C51 H107 N Sb2 Si9 -","- C51 H107 N Sb2.0002 Si9 -","- C204 H428 N4 Sb8.0008 Si36 -","4","1","","Palui, Prasenjit; Bollenbeck, Matthias; Meleschko, Daniel; Brehm, Philipp; Gomila, Rosa M.; Schnakenburg, Gregor; Frontera, Antonio; Bismuto, Alessandro","Azadistibiridines and stabilised-iminobismuthane: reactivity of small inorganic rings in heavy main group chemistry.","Chemical science","2025","16","36","16894","16903","10.1039/d5sc03416g","","x-ray","0.71073","MoKα","","0.0425","0.0338","","","0.0857","0.0922","","","","","","1.044","","","","has coordinates,has disorder","302518","2025-10-06","07:47:15",""
"1575511","8.785","0.004","13.602","0.005","40.116","0.016","90","","95.571","0.012","90","","4771","3","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","PP-197","","- C38 H68 Bi N3 O2 S Si4 -","- C38 H68 Bi N3 O2 S Si4 -","- C152 H272 Bi4 N12 O8 S4 Si16 -","4","1","","Palui, Prasenjit; Bollenbeck, Matthias; Meleschko, Daniel; Brehm, Philipp; Gomila, Rosa M.; Schnakenburg, Gregor; Frontera, Antonio; Bismuto, Alessandro","Azadistibiridines and stabilised-iminobismuthane: reactivity of small inorganic rings in heavy main group chemistry.","Chemical science","2025","16","36","16894","16903","10.1039/d5sc03416g","","x-ray","0.71073","MoKα","","0.1318","0.0861","","","0.1783","0.205","","","","","","1.034","","","","has coordinates","302518","2025-10-06","07:47:15",""
"1575512","20.7931","0.0004","13.6137","0.0002","27.7062","0.0004","90","","108.868","0.001","90","","7421.4","0.2","123","","123","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","DM-PP-20","","- C106 H224 Br4 Ge2 N2 O Sb4 Si18 -","- C106 H224 Br4 Ge2 N2 O Sb4 Si18 -","- C212 H448 Br8 Ge4 N4 O2 Sb8 Si36 -","2","0.5","","Palui, Prasenjit; Bollenbeck, Matthias; Meleschko, Daniel; Brehm, Philipp; Gomila, Rosa M.; Schnakenburg, Gregor; Frontera, Antonio; Bismuto, Alessandro","Azadistibiridines and stabilised-iminobismuthane: reactivity of small inorganic rings in heavy main group chemistry.","Chemical science","2025","16","36","16894","16903","10.1039/d5sc03416g","","","0.71073","MoKα","","0.0694","0.0536","","","0.1297","0.1474","","","","","","1.093","","","","has coordinates,has disorder","302518","2025-10-06","07:47:15",""
"1575513","19.4116","0.0006","12.4085","0.0003","28.9774","0.001","90","","91.222","0.001","90","","6978.2","0.4","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","MB036","","- C54 H103 N Sb2 Si8 -","- C54 H103 N Sb2 Si8 -","- C216 H412 N4 Sb8 Si32 -","4","1","","Palui, Prasenjit; Bollenbeck, Matthias; Meleschko, Daniel; Brehm, Philipp; Gomila, Rosa M.; Schnakenburg, Gregor; Frontera, Antonio; Bismuto, Alessandro","Azadistibiridines and stabilised-iminobismuthane: reactivity of small inorganic rings in heavy main group chemistry.","Chemical science","2025","16","36","16894","16903","10.1039/d5sc03416g","","x-ray","0.71073","MoKα","","0.0395","0.0299","","","0.0662","0.0709","","","","","","1.05","","","","has coordinates","302518","2025-10-06","07:47:15",""
"1575514","20.3099","0.001","13.9032","0.0004","28.5661","0.0012","90","","106.583","0.004","90","","7730.8","0.6","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","MBO68","","- C62 H112 Bi2 N2 O4 S2 Si8 -","- C62 H112 Bi2 N2 O4 S2 Si8 -","- C248 H448 Bi8 N8 O16 S8 Si32 -","4","1","","Palui, Prasenjit; Bollenbeck, Matthias; Meleschko, Daniel; Brehm, Philipp; Gomila, Rosa M.; Schnakenburg, Gregor; Frontera, Antonio; Bismuto, Alessandro","Azadistibiridines and stabilised-iminobismuthane: reactivity of small inorganic rings in heavy main group chemistry.","Chemical science","2025","16","36","16894","16903","10.1039/d5sc03416g","","","0.71073","MoKα","","0.1007","0.0611","","","0.1116","0.1319","","","","","","1.081","","","","has coordinates,has disorder","302518","2025-10-06","07:47:15",""
"1575515","17.8015","0.0006","12.3747","0.0004","34.4746","0.0012","90","","100.931","0.001","90","","7456.6","0.4","103","","103","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","MB037","","- C62 H123 N O Sb2 Si8 -","- C62 H123 N O Sb2 Si8 -","- C248 H492 N4 O4 Sb8 Si32 -","4","1","","Palui, Prasenjit; Bollenbeck, Matthias; Meleschko, Daniel; Brehm, Philipp; Gomila, Rosa M.; Schnakenburg, Gregor; Frontera, Antonio; Bismuto, Alessandro","Azadistibiridines and stabilised-iminobismuthane: reactivity of small inorganic rings in heavy main group chemistry.","Chemical science","2025","16","36","16894","16903","10.1039/d5sc03416g","","x-ray","0.71073","MoKα","","0.0685","0.0642","","","0.1347","0.1364","","","","","","1.316","","","","has coordinates,has disorder","302518","2025-10-06","07:47:15",""
"1575516","39.5906","0.0007","7.1713","0.0001","7.6423","0.0001","90","","90","","90","","2169.77","0.06","113","","113","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C28 H22 N2 S2 -","- C28 H22 N2 S2 -","- C112 H88 N8 S8 -","4","1","","Oketani, Ryusei; Okada, Musashi; Takaji, Kentaro; Shigemitsu, Hajime; Kida, Toshiyuki; Nakashima, Takuya; Hisaki, Ichiro","Spontaneous chiral symmetry breaking in a single crystal.","Chemical science","2025","16","38","17621","17629","10.1039/d5sc02623g","","x-ray","0.71073","MoKα","","0.046","0.0423","","","0.0942","0.0962","","","","","","1.075","","","","has coordinates,has disorder","302557","2025-10-06","08:05:19",""
"1575517","8.5534","0.0003","5.53","0.0002","22.8598","0.0007","90","","94.991","0.003","90","","1077.18","0.06","113","","113","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H22 N2 S2 -","- C28 H22 N2 S2 -","- C56 H44 N4 S4 -","2","1","","Oketani, Ryusei; Okada, Musashi; Takaji, Kentaro; Shigemitsu, Hajime; Kida, Toshiyuki; Nakashima, Takuya; Hisaki, Ichiro","Spontaneous chiral symmetry breaking in a single crystal.","Chemical science","2025","16","38","17621","17629","10.1039/d5sc02623g","","x-ray","0.71073","MoKα","","0.0798","0.0688","","","0.1778","0.1881","","","","","","1.095","","","","has coordinates,has disorder","302557","2025-10-06","08:05:21",""
"1575521","11.1596","0.0005","11.4928","0.0005","15.7244","0.0007","90.689","0.004","97.872","0.004","90.376","0.004","1997.52","0.15","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C78 H130 B2 N16 O2 Ti2 -","- C78 H130 B2 N16 O2 Ti2 -","- C78 H130 B2 N16 O2 Ti2 -","1","0.5","","G Jafari, Mehrafshan; Fehn, Dominik; Sandoval-Pauker, Christian; Gau, Michael R.; Meyer, Karsten; Pinter, Balazs; Mindiola, Daniel J.; Reinholdt, Anders","A titanium redox-switch enables reversible C-C bond forming and splitting reactions.","Chemical science","2025","16","38","17714","17724","10.1039/d5sc04824a","","x-ray","0.71073","MoKα","","0.1392","0.0849","","","0.1883","0.2065","","","","","","1.119","","","","has coordinates,has disorder","302560","2025-10-06","08:05:57",""
"1575522","14.091","0.0002","14.8091","0.0002","16.4769","0.0002","99.925","0.001","92.301","0.001","94.201","0.001","3372.88","0.08","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C134 H150 B4 F40 N16 O4 Ti2 -","- C134 H150 B4 F40 N16 O4 Ti2 -","- C134 H150 B4 F40 N16 O4 Ti2 -","1","0.5","","G Jafari, Mehrafshan; Fehn, Dominik; Sandoval-Pauker, Christian; Gau, Michael R.; Meyer, Karsten; Pinter, Balazs; Mindiola, Daniel J.; Reinholdt, Anders","A titanium redox-switch enables reversible C-C bond forming and splitting reactions.","Chemical science","2025","16","38","17714","17724","10.1039/d5sc04824a","","x-ray","1.54184","CuKα","","0.0727","0.0614","","","0.1714","0.1809","","","","","","1.043","","","","has coordinates,has disorder","302560","2025-10-06","08:05:57",""
"1575523","11.9108","0.0002","12.6051","0.0002","24.0379","0.0005","104.569","0.0018","90.2187","0.0018","118.154","0.002","3047.76","0.12","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C57 H85 B N10 V -","- C57 H85 B N10 V -","- C114 H170 B2 N20 V2 -","2","1","","G Jafari, Mehrafshan; Fehn, Dominik; Sandoval-Pauker, Christian; Gau, Michael R.; Meyer, Karsten; Pinter, Balazs; Mindiola, Daniel J.; Reinholdt, Anders","A titanium redox-switch enables reversible C-C bond forming and splitting reactions.","Chemical science","2025","16","38","17714","17724","10.1039/d5sc04824a","","x-ray","0.71073","MoKα","","0.0996","0.0895","","","0.237","0.2421","","","","","","1.099","","","","has coordinates,has disorder","302560","2025-10-06","08:05:57",""
"1575524","10.7606","0.0005","24.5346","0.001","22.9833","0.001","90","","92.905","0.002","90","","6060","0.5","297","","297","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C60 H45 N3 O3 S3 -","- C60 H45 N3 O3 S3 -","- C240 H180 N12 O12 S12 -","4","1","","Sun, Yonghui; Shu, Yuqing; Zheng, Li; Song, Yufei; Huang, Baotong; Xu, Xiufang; Chen, Haohua; Chang, Junbiao; Xin, Pengyang","Cyclization-enhanced photoactivatable reversible room-temperature phosphorescence for efficient real-time light printing.","Chemical science","2025","16","38","17812","17819","10.1039/d5sc05008a","","","1.54178","CuKα","","0.1019","0.0922","","","0.3058","0.315","","","","","","1.085","","","","has coordinates,has disorder","302555","2025-10-06","08:04:03",""
"1575525","13.1113","0.0004","18.0607","0.0004","23.3276","0.0006","90","","105.099","0.002","90","","5333.3","0.2","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C66 H51 N3 O3 S3 -","- C66 H51 N3 O3 S3 -","- C264 H204 N12 O12 S12 -","4","1","","Sun, Yonghui; Shu, Yuqing; Zheng, Li; Song, Yufei; Huang, Baotong; Xu, Xiufang; Chen, Haohua; Chang, Junbiao; Xin, Pengyang","Cyclization-enhanced photoactivatable reversible room-temperature phosphorescence for efficient real-time light printing.","Chemical science","2025","16","38","17812","17819","10.1039/d5sc05008a","","","1.54178","CuKα","","0.1278","0.0775","","","0.2244","0.2736","","","","","","1.024","","","","has coordinates,has disorder","302555","2025-10-06","08:04:03",""
"1575526","12.6976","0.0003","37.9408","0.0008","13.6528","0.0003","90","","104.772","0.001","90","","6359.9","0.2","273.15","","273.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C57 H39 N3 O3 S3 -","- C57 H39 N3 O3 S3 -","- C228 H156 N12 O12 S12 -","4","1","","Sun, Yonghui; Shu, Yuqing; Zheng, Li; Song, Yufei; Huang, Baotong; Xu, Xiufang; Chen, Haohua; Chang, Junbiao; Xin, Pengyang","Cyclization-enhanced photoactivatable reversible room-temperature phosphorescence for efficient real-time light printing.","Chemical science","2025","16","38","17812","17819","10.1039/d5sc05008a","","","1.54178","CuKα","","0.0622","0.054","","","0.1612","0.1667","","","","","","1.064","","","","has coordinates","302555","2025-10-06","08:04:03",""
"1575527","21.186","0.0006","21.4353","0.0006","32.1951","0.0008","91.5233","0.0008","91.3027","0.0008","103.598","0.001","14199.5","0.7","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C98 H118 Br2 F4 N6 O2 S4 -","- C98 H118 Br2 F4 N6 O2 S4 -","- C588 H708 Br12 F24 N36 O12 S24 -","6","3","","Wang, Yan-Bo; Xue, Yung-Jing; Hung, Chieh-Ming; Huang, Kuo-Hsiu; Jiang, Bing-Huang; Tsai, Chia-Lin; Huang, Yu-Chi; Chen, Hong-Yi; Yang, Shang-Da; Chien, Su-Ying; Chen, Chih-Ping; Chou, Pi-Tai; Cheng, Yen-Ju","Effect of halogen/chalcogen substitution on the dielectric constant of asymmetric acceptor alloy to improve the efficiency and stability of inverted organic photovoltaics.","Chemical science","2025","16","37","17391","17407","10.1039/d5sc04976h","","","1.54178","CuKα","","0.1738","0.1384","","","0.3734","0.4313","","","","","","1.637","","","","has coordinates","302481","2025-10-06","07:32:00",""
"1575528","24.5571","0.0005","23.4429","0.0005","34.5277","0.0007","90","","107.939","0.001","90","","18910.9","0.7","200","2","200","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C98 H119 Br Cl4 N6 O2 S4 -","- C98 H119 Br Cl4 N6 O2 S4 -","- C784 H952 Br8 Cl32 N48 O16 S32 -","8","1","","Wang, Yan-Bo; Xue, Yung-Jing; Hung, Chieh-Ming; Huang, Kuo-Hsiu; Jiang, Bing-Huang; Tsai, Chia-Lin; Huang, Yu-Chi; Chen, Hong-Yi; Yang, Shang-Da; Chien, Su-Ying; Chen, Chih-Ping; Chou, Pi-Tai; Cheng, Yen-Ju","Effect of halogen/chalcogen substitution on the dielectric constant of asymmetric acceptor alloy to improve the efficiency and stability of inverted organic photovoltaics.","Chemical science","2025","16","37","17391","17407","10.1039/d5sc04976h","","","1.54178","CuKα","","0.1676","0.1473","","","0.4429","0.4789","","","","","","2.153","","","","has coordinates,has disorder","302481","2025-10-06","07:32:04",""
"1575529","21.2852","0.0005","21.6188","0.0006","32.1696","0.0007","92.4978","0.0011","91.3722","0.0011","103.562","0.0013","14367.8","0.6","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C98 H119 Br F4 N6 O2 S4 -","- C98 H119 Br F4 N6 O2 S4 -","- C588 H714 Br6 F24 N36 O12 S24 -","6","3","","Wang, Yan-Bo; Xue, Yung-Jing; Hung, Chieh-Ming; Huang, Kuo-Hsiu; Jiang, Bing-Huang; Tsai, Chia-Lin; Huang, Yu-Chi; Chen, Hong-Yi; Yang, Shang-Da; Chien, Su-Ying; Chen, Chih-Ping; Chou, Pi-Tai; Cheng, Yen-Ju","Effect of halogen/chalcogen substitution on the dielectric constant of asymmetric acceptor alloy to improve the efficiency and stability of inverted organic photovoltaics.","Chemical science","2025","16","37","17391","17407","10.1039/d5sc04976h","","","1.54178","CuKα","","0.2729","0.1947","","","0.482","0.5356","","","","","","1.661","","","","has coordinates,has disorder","302481","2025-10-06","07:32:13",""
"1575530","16.6502","0.0007","7.3452","0.0003","21.915","0.0009","90","","97.814","0.001","90","","2655.3","0.19","100.15","","100","2","","","","","","","synthesized by the authors","3","C 1 2 1","C 2y","5","","","","- C19 H12 O2 -","- C19 H12 O2 -","- C152 H96 O16 -","8","2","","Dočekal, Vojtěch; Kurčina, Adam; Císařová, Ivana; Veselý, Jan","Enantioselective lactonization catalyzed by chiral N-heterocyclic carbenes enables access to inherently chiral eight-membered lactones.","Chemical science","2025","16","37","17369","17373","10.1039/d5sc05037e","","x-ray","1.54178","CuKα","","0.03","0.03","","","0.0796","0.0796","","","","","","1.039","","","","has coordinates","302485","2025-10-06","07:35:03",""
"1575531","8.3909","0.0001","13.6555","0.0001","14.4806","0.0001","90","","90","","90","","1659.22","0.03","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H25 F3 O3 -","- C17 H25 F3 O3 -","- C68 H100 F12 O12 -","4","1","","Shakeri, Kamar; Kleoff, Merlin; Golz, Paul; Drews, Thomas; Weber, Manuela; Riedel, Sebastian; Christmann, Mathias","Photomediated C-H trifluoromethoxylations enabled by bis(trifluoromethyl)peroxide.","Chemical science","2025","16","38","17921","17926","10.1039/d5sc04945h","","","1.54178","CuKα","","0.0629","0.0624","","","0.1405","0.141","","","","","","1.203","","","","has coordinates","302562","2025-10-06","08:06:39",""
"1575532","7.978","0.0007","11.5922","0.001","11.8435","0.001","63.467","0.003","78.604","0.003","83.242","0.003","960.1","0.15","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H10 Cu3 I4 N3 S -","- C12 H10 Cu3 I4 N3 S -","- C24 H20 Cu6 I8 N6 S2 -","2","1","","Chen, Jingwen; Wu, Xueqian; Zhang, Minghui; Teat, Simon J.; Xu, Guozhong; Li, Jingbai; Hei, Xiuze; Li, Jing","Rigid cationic ligands enable high-efficiency NIR-II photoluminescence in copper(i) iodide hybrid semiconductors.","Chemical science","2025","16","37","17417","17425","10.1039/d5sc04588f","","","0.7288","synchrotron","","0.0178","0.0171","","","0.0413","0.0416","","","","","","1.129","","","","has coordinates","302482","2025-10-06","07:32:27",""
"1575533","8.2427","0.0005","10.1306","0.0006","10.3673","0.0006","69.699","0.002","76.73","0.002","67.715","0.002","746.48","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H20 Cu2 I4 N6 S2 -","- C24 H20 Cu2 I4 N6 S2 -","- C24 H20 Cu2 I4 N6 S2 -","1","0.5","","Chen, Jingwen; Wu, Xueqian; Zhang, Minghui; Teat, Simon J.; Xu, Guozhong; Li, Jingbai; Hei, Xiuze; Li, Jing","Rigid cationic ligands enable high-efficiency NIR-II photoluminescence in copper(i) iodide hybrid semiconductors.","Chemical science","2025","16","37","17417","17425","10.1039/d5sc04588f","","","0.7288","synchrotron","","0.0214","0.0179","","","0.0416","0.0433","","","","","","1.037","","","","has coordinates","302482","2025-10-06","07:32:28",""
"1575534","9.8084","0.0005","10.2468","0.0005","11.1017","0.0005","81.711","0.002","73.056","0.002","66.501","0.002","978.32","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H10 Cu3 I4 N3 Se -","- C12 H10 Cu3 I4 N3 Se -","- C24 H20 Cu6 I8 N6 Se2 -","2","1","","Chen, Jingwen; Wu, Xueqian; Zhang, Minghui; Teat, Simon J.; Xu, Guozhong; Li, Jingbai; Hei, Xiuze; Li, Jing","Rigid cationic ligands enable high-efficiency NIR-II photoluminescence in copper(i) iodide hybrid semiconductors.","Chemical science","2025","16","37","17417","17425","10.1039/d5sc04588f","","","0.7288","synchrotron","","0.0202","0.0182","","","0.0407","0.0415","","","","","","1.111","","","","has coordinates","302482","2025-10-06","07:32:28",""
"1575535","8.3023","0.0006","10.2622","0.0008","10.4313","0.0008","68.77","0.003","75.946","0.003","67.022","0.003","757.35","0.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H20 Cu2 I4 N6 Se2 -","- C24 H20 Cu2 I4 N6 Se2 -","- C24 H20 Cu2 I4 N6 Se2 -","1","0.5","","Chen, Jingwen; Wu, Xueqian; Zhang, Minghui; Teat, Simon J.; Xu, Guozhong; Li, Jingbai; Hei, Xiuze; Li, Jing","Rigid cationic ligands enable high-efficiency NIR-II photoluminescence in copper(i) iodide hybrid semiconductors.","Chemical science","2025","16","37","17417","17425","10.1039/d5sc04588f","","","0.7288","synchrotron","","0.0365","0.0327","","","0.0822","0.0845","","","","","","1.041","","","","has coordinates","302482","2025-10-06","07:32:28",""
"1575536","35.97","0.002","35.97","0.002","28.133","0.003","90","","90","","90","","36400","5","100","2","100","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C216 H264 Cs N40 O36 Pd8 -","- C216 H264 Cs N40 O36 Pd8 -","- C864 H1056 Cs4 N160 O144 Pd32 -","4","0.25","","Ray, Manaswini; Krishnaswamy, Shobhana; Chand, Dillip Kumar","Hosting of [Cs(crown ether)<sub>2</sub>]<sup>+</sup> type host-guest complexes by a nano-sized molecular cuboid.","Chemical science","2025","16","37","17127","17138","10.1039/d5sc03202d","","","0.71073","MoKα","","0.1285","0.1038","","","0.2482","0.268","","","","","","1.107","","","","has coordinates,has disorder","302484","2025-10-06","07:34:44",""
"1575537","30.9423","0.0006","30.9423","0.0006","19.3961","0.0007","90","","90","","90","","18570.3","0.8","149","2","149","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C176 H216 F84 N32 P16 Pd8 -","- C176 H216 F84 N32 P16 Pd8 -","- C352 H432 F168 N64 P32 Pd16 -","2","0.125","","Ray, Manaswini; Krishnaswamy, Shobhana; Chand, Dillip Kumar","Hosting of [Cs(crown ether)<sub>2</sub>]<sup>+</sup> type host-guest complexes by a nano-sized molecular cuboid.","Chemical science","2025","16","37","17127","17138","10.1039/d5sc03202d","","","1.54178","CuKα","","0.1726","0.108","","","0.3261","0.3819","","","","","","1.072","","","","has coordinates","302484","2025-10-06","07:34:45",""
"1575538","20.9332","0.0016","21.1999","0.0016","22.9084","0.0016","70.521","0.002","69.36","0.002","63.971","0.002","8353.4","1.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C220 H272 Cs1.04 N41 O41 Pd8 -","- C220 H272 Cs1.054 N41 O41 Pd8 -","- C220 H272 Cs1.054 N41 O41 Pd8 -","1","0.5","","Ray, Manaswini; Krishnaswamy, Shobhana; Chand, Dillip Kumar","Hosting of [Cs(crown ether)<sub>2</sub>]<sup>+</sup> type host-guest complexes by a nano-sized molecular cuboid.","Chemical science","2025","16","37","17127","17138","10.1039/d5sc03202d","","","0.71073","MoKα","","0.1256","0.0762","","","0.1918","0.2232","","","","","","1.023","","","","has coordinates,has disorder","302484","2025-10-06","07:34:45",""
"1575539","20.772","0.0018","21.4093","0.0019","22.903","0.002","70.951","0.003","69.338","0.003","64.414","0.002","8410.9","1.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C224 H280 Cs0.48 N43 O49 Pd8 -","- C224 H280 Cs0.482 N43 O49 Pd8 -","- C224 H280 Cs0.482 N43 O49 Pd8 -","1","0.5","","Ray, Manaswini; Krishnaswamy, Shobhana; Chand, Dillip Kumar","Hosting of [Cs(crown ether)<sub>2</sub>]<sup>+</sup> type host-guest complexes by a nano-sized molecular cuboid.","Chemical science","2025","16","37","17127","17138","10.1039/d5sc03202d","","","0.71073","MoKα","","0.1559","0.0995","","","0.2729","0.3382","","","","","","1.048","","","","has coordinates,has disorder","302484","2025-10-06","07:34:45",""
"1575540","10.0115","0.0005","33.232","0.0016","11.5588","0.0006","90","","97.006","0.003","90","","3816.9","0.3","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C82 H108 B2 F10 N6 O2 -","- C82 H108 B2 F10 N6 O2 -","- C164 H216 B4 F20 N12 O4 -","2","0.5","","Jiang, Zhiyong; Ma, Xiangjun; Song, Kaixuan; Wang, Tianzhu; Dong, Mengxi; Liu, Hang; Gao, Hu; Wang, Xiaoqing; Zhao, Jing; Liu, Zhipeng","Shortwave infrared absorbing and fluorescent BODIPY J-aggregates for high-contrast <i>in vivo</i> imaging.","Chemical science","2025","16","38","17779","17792","10.1039/d5sc03864b","","","1.34139","GaKα","","0.1317","0.0657","","","0.1746","0.2149","","","","","","0.986","","","","has coordinates","302554","2025-10-06","08:02:40",""
"1575541","12.479","0.002","33.355","0.006","9.5684","0.0015","90","","108.825","0.008","90","","3769.7","1.1","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C80 B2 F10 N4 O4 -","- C80 B2 F10 N4 O4 -","- C160 B4 F20 N8 O8 -","2","0.5","","Jiang, Zhiyong; Ma, Xiangjun; Song, Kaixuan; Wang, Tianzhu; Dong, Mengxi; Liu, Hang; Gao, Hu; Wang, Xiaoqing; Zhao, Jing; Liu, Zhipeng","Shortwave infrared absorbing and fluorescent BODIPY J-aggregates for high-contrast <i>in vivo</i> imaging.","Chemical science","2025","16","38","17779","17792","10.1039/d5sc03864b","","","","","","0.095","","","","","","","","","","","","","","","has coordinates","302554","2025-10-06","08:02:41",""
"1575542","8.967","0.003","9.236","0.003","26.041","0.009","89.71","0.016","82.835","0.015","62.505","0.014","1894.8","1.1","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C82 H108 B2 F4 N4 O8 -","- C82 H108 B2 F4 N4 O8 -","- C82 H108 B2 F4 N4 O8 -","1","0.5","","Jiang, Zhiyong; Ma, Xiangjun; Song, Kaixuan; Wang, Tianzhu; Dong, Mengxi; Liu, Hang; Gao, Hu; Wang, Xiaoqing; Zhao, Jing; Liu, Zhipeng","Shortwave infrared absorbing and fluorescent BODIPY J-aggregates for high-contrast <i>in vivo</i> imaging.","Chemical science","2025","16","38","17779","17792","10.1039/d5sc03864b","","","1.34139","GaKα","","0.124","0.0919","","","0.2445","0.2712","","","","","","1.397","","","","has coordinates","302554","2025-10-06","08:02:41",""
"1575543","13.0684","0.0006","33.8533","0.0015","17.8305","0.0008","90","","90.248","0.002","90","","7888.3","0.6","193","","193","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C84 H114 B2 F4 N6 O6 -","- C84 H113.999 B2 F4.0001 N6 O6 -","- C336 H455.995 B8 F16.0004 N24 O24 -","4","1","","Jiang, Zhiyong; Ma, Xiangjun; Song, Kaixuan; Wang, Tianzhu; Dong, Mengxi; Liu, Hang; Gao, Hu; Wang, Xiaoqing; Zhao, Jing; Liu, Zhipeng","Shortwave infrared absorbing and fluorescent BODIPY J-aggregates for high-contrast <i>in vivo</i> imaging.","Chemical science","2025","16","38","17779","17792","10.1039/d5sc03864b","","","1.34139","GaKα","","0.1322","0.0617","","","0.1332","0.1592","","","","","","1.122","","","","has coordinates,has disorder","302554","2025-10-06","08:02:41",""
"1575544","9.9417","0.0002","10.7906","0.0002","15.9286","0.0003","98.869","0.002","98.98","0.002","111.275","0.002","1530.99","0.06","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H28 Cu2 N2 O14 -","- C27 H19 Cu2 N2 O14 -","- C54 H38 Cu4 N4 O28 -","2","1","","Wang, AnQi; Zheng, Xin; Saito, Yuki; Tateishi, Arata; Huang, Yuan; Kamiya, Yuichi; Sato, Hiroyasu; Kondo, Atsushi; Takahashi, Kiyonori; Nakamura, Takayoshi; Noro, Shin-Ichiro","Coexisting gases regulate the rates of water adsorption by a flexible one-dimensional coordination polymer.","Chemical science","2025","16","39","18135","18140","10.1039/d5sc01699a","","x-ray","1.54184","CuKα","","0.0446","0.0435","","","0.1305","0.1315","","","","","","1.102","","","","has coordinates","303642","2025-11-29","18:31:12",""
"1575545","9.462","0.003","9.915","0.003","15.687","0.003","94.47","0.02","94.64","0.02","111.54","0.03","1355.2","0.7","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H22 Cu2 N2 O11 -","- C27 H22 Cu2 N2 O11 -","- C54 H44 Cu4 N4 O22 -","2","1","","Wang, AnQi; Zheng, Xin; Saito, Yuki; Tateishi, Arata; Huang, Yuan; Kamiya, Yuichi; Sato, Hiroyasu; Kondo, Atsushi; Takahashi, Kiyonori; Nakamura, Takayoshi; Noro, Shin-Ichiro","Coexisting gases regulate the rates of water adsorption by a flexible one-dimensional coordination polymer.","Chemical science","2025","16","39","18135","18140","10.1039/d5sc01699a","","electron","0.0251","electron","","0.2993","0.2093","","","0.4185","0.4895","","","","","","1.108","","","","has coordinates","303642","2025-11-29","18:31:14",""
"1575546","13.3346","0.0002","17.6109","0.0002","25.4209","0.0003","102.048","0.001","97.672","0.001","104.674","0.001","5537.1","0.13","173","0.1","173","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C36 H36 Fe3 -","- C36 H36 Fe3 -","- C288 H288 Fe24 -","8","4","","Li, Longfei; Zhang, Beijing; Xie, Yi; Xiong, Qi; Zhong, Yuanbo; Jiang, Yansong; Wang, Yu; Wang, Haobing; Jiang, Shang-Da; Zhou, Shen; Jiang, Xing","An acetylene-bridged ferrocene macrocycle: efficient synthesis and electron transfer mechanism in mixed-valence systems.","Chemical science","2025","16","37","17268","17275","10.1039/d5sc02322j","","x-ray","0.71073","MoKα","","0.0579","0.0435","","","0.0932","0.0974","","","","","","1.146","","","","has coordinates","302480","2025-10-06","07:31:30",""
"1575547","11.8646","0.0016","11.9852","0.0017","13.0247","0.0018","78.104","0.013","64.935","0.015","60.235","0.014","1456.3","0.4","150","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C37 H32 Cl2 Fe3 -","- C37 H32 Cl2 Fe3 -","- C74 H64 Cl4 Fe6 -","2","1","","Li, Longfei; Zhang, Beijing; Xie, Yi; Xiong, Qi; Zhong, Yuanbo; Jiang, Yansong; Wang, Yu; Wang, Haobing; Jiang, Shang-Da; Zhou, Shen; Jiang, Xing","An acetylene-bridged ferrocene macrocycle: efficient synthesis and electron transfer mechanism in mixed-valence systems.","Chemical science","2025","16","37","17268","17275","10.1039/d5sc02322j","","x-ray","0.71073","MoKα","","0.073","0.0639","","","0.1714","0.179","","","","","","0.997","","","","has coordinates","302480","2025-10-06","07:31:31",""
"1575548","10.3956","0.0002","10.3956","0.0002","20.2799","0.0006","90","","90","","120","","1898","0.08","149.99","0.1","149.99","0.1","","","","","","","","3","P 31 2 1","P 31 2""","152","","","","- C36 H24 Fe3 -","- C36.0144 H24.0096 Fe3.0012 -","- C108.043 H72.0288 Fe9.0036 -","3","0.5","","Li, Longfei; Zhang, Beijing; Xie, Yi; Xiong, Qi; Zhong, Yuanbo; Jiang, Yansong; Wang, Yu; Wang, Haobing; Jiang, Shang-Da; Zhou, Shen; Jiang, Xing","An acetylene-bridged ferrocene macrocycle: efficient synthesis and electron transfer mechanism in mixed-valence systems.","Chemical science","2025","16","37","17268","17275","10.1039/d5sc02322j","","x-ray","0.71073","MoKα","","0.0236","0.022","","","0.0514","0.052","","","","","","1.026","","","","has coordinates,has disorder","302480","2025-10-06","07:31:31",""
"1575552","10.3732","0.0005","12.2046","0.0006","18.1561","0.0007","91.465","0.004","106.113","0.004","107.935","0.004","2085.41","0.18","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H64 Al B N4 -","- C42 H64 Al B N4 -","- C84 H128 Al2 B2 N8 -","2","1","","Yang, Wenbang; White, Andrew J. P.; Crimmin, Mark R.","Synthesis, properties, and chemoselective reactions of an AlH-BH functional group.","Chemical science","2025","16","37","17193","17199","10.1039/d5sc05133a","","","1.54184","CuKα","","0.0623","0.0446","","","0.1119","0.1282","","","","","","1.024","","","","has coordinates","302487","2025-10-06","07:35:28",""
"1575553","10.6201","0.0008","12.1477","0.0011","18.1465","0.0011","91.246","0.006","104.782","0.006","107.331","0.007","2148.7","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H64 Al B N4 O2 -","- C43 H64 Al B N4 O2 -","- C86 H128 Al2 B2 N8 O4 -","2","1","","Yang, Wenbang; White, Andrew J. P.; Crimmin, Mark R.","Synthesis, properties, and chemoselective reactions of an AlH-BH functional group.","Chemical science","2025","16","37","17193","17199","10.1039/d5sc05133a","","","1.54184","CuKα","","0.1","0.054","","","0.1165","0.1398","","","","","","0.997","","","","has coordinates,has disorder","302487","2025-10-06","07:35:28",""
"1575554","13.63125","0.00014","20.16105","0.00019","15.3157","0.00014","90","","99.9088","0.0009","90","","4146.28","0.07","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C42 H64 Al2 N4 -","- C42 H64 Al2 N4 -","- C168 H256 Al8 N16 -","4","1","","Yang, Wenbang; White, Andrew J. P.; Crimmin, Mark R.","Synthesis, properties, and chemoselective reactions of an AlH-BH functional group.","Chemical science","2025","16","37","17193","17199","10.1039/d5sc05133a","","","1.54184","CuKα","","0.0555","0.0408","","","0.1039","0.115","","","","","","1.034","","","","has coordinates,has disorder","302487","2025-10-06","07:35:28",""
"1575555","11.1773","0.0008","13.0784","0.0008","18.2008","0.0012","75.079","0.006","72.532","0.006","74.007","0.006","2395","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C51 H73 Al B N5 -","- C51 H73 Al B N5 -","- C102 H146 Al2 B2 N10 -","2","1","","Yang, Wenbang; White, Andrew J. P.; Crimmin, Mark R.","Synthesis, properties, and chemoselective reactions of an AlH-BH functional group.","Chemical science","2025","16","37","17193","17199","10.1039/d5sc05133a","","","1.54184","CuKα","","0.0819","0.0497","","","0.119","0.1365","","","","","","0.997","","","","has coordinates","302487","2025-10-06","07:35:28",""
"1575556","11.7887","0.0005","12.6943","0.0006","19.3282","0.0011","94.912","0.004","91.626","0.004","103.385","0.004","2800.1","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C59 H81.5 Al B N6 O0.75 -","- C56 H74 Al B N6 -","- C112 H148 Al2 B2 N12 -","2","1","","Yang, Wenbang; White, Andrew J. P.; Crimmin, Mark R.","Synthesis, properties, and chemoselective reactions of an AlH-BH functional group.","Chemical science","2025","16","37","17193","17199","10.1039/d5sc05133a","","","1.54184","CuKα","","0.1117","0.0688","","","0.1802","0.2152","","","","","","1.028","","","","has coordinates,has disorder","302487","2025-10-06","07:35:28",""
"1575557","19.6637","0.0007","25.8655","0.0009","7.351","0.0003","90","","90","","90","","3738.8","0.2","100","2","100","2","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C25 H18 F N O2 -","- C25 H18 F N O2 -","- C200 H144 F8 N8 O16 -","8","1","","Liu, Hao; Scott, Harrison M.; Lin, Binzhou; Huang, Xiaolong; Smith, Mark D.; Shimizu, Ken D.","Solvent attenuation of dispersion interactions quantified in polar and nonpolar media using rigid CH-π balances.","Chemical science","2025","16","38","17772","17778","10.1039/d5sc02852c","","x-ray","0.71073","MoKα","","0.0322","0.0304","","","0.0704","0.0718","","","","","","1.03","","","","has coordinates","302561","2025-10-06","08:06:27",""
"1575558","28.0843","0.0013","28.0843","0.0013","11.375","0.0007","90","","90","","90","","8971.8","0.8","100","2","100","2","","","","","","","","5","I -4","I -4","82","","","","- C31 H20 F N O2 -","- C31 H20 F N O2 -","- C496 H320 F16 N16 O32 -","16","2","","Liu, Hao; Scott, Harrison M.; Lin, Binzhou; Huang, Xiaolong; Smith, Mark D.; Shimizu, Ken D.","Solvent attenuation of dispersion interactions quantified in polar and nonpolar media using rigid CH-π balances.","Chemical science","2025","16","38","17772","17778","10.1039/d5sc02852c","","x-ray","0.71073","MoKα","","0.0778","0.0524","","","0.1061","0.1168","","","","","","1.027","","","","has coordinates,has disorder","302561","2025-10-06","08:06:28",""
"1575559","22.1848","0.0006","22.1848","0.0006","11.2994","0.0005","90","","90","","90","","5561.2","0.3","100","2","100","2","","","","","","","","5","I -4","I -4","82","","","","- C33.93 H27.86 F N O3.46 -","- C33.928 H27.856 F N O3.464 -","- C271.424 H222.848 F8 N8 O27.712 -","8","1","","Liu, Hao; Scott, Harrison M.; Lin, Binzhou; Huang, Xiaolong; Smith, Mark D.; Shimizu, Ken D.","Solvent attenuation of dispersion interactions quantified in polar and nonpolar media using rigid CH-π balances.","Chemical science","2025","16","38","17772","17778","10.1039/d5sc02852c","","x-ray","0.71073","MoKα","","0.0407","0.0383","","","0.1052","0.1079","","","","","","1.061","","","","has coordinates,has disorder","302561","2025-10-06","08:06:28",""
"1575560","9.3457","0.0003","13.8896","0.0005","14.0274","0.0005","90","","90","","90","","1820.87","0.11","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H18 F N O2 -","- C25 H18 F N O2 -","- C100 H72 F4 N4 O8 -","4","1","","Liu, Hao; Scott, Harrison M.; Lin, Binzhou; Huang, Xiaolong; Smith, Mark D.; Shimizu, Ken D.","Solvent attenuation of dispersion interactions quantified in polar and nonpolar media using rigid CH-π balances.","Chemical science","2025","16","38","17772","17778","10.1039/d5sc02852c","","x-ray","0.71073","MoKα","","0.0458","0.0447","","","0.1215","0.1223","","","","","","1.228","","","","has coordinates","302561","2025-10-06","08:06:28",""
"1575561","8.4255","0.0005","9.5914","0.0006","13.0539","0.0009","93.704","0.002","99.237","0.002","102.183","0.002","1012.47","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H20 F N O2 -","- C29 H20 F N O2 -","- C58 H40 F2 N2 O4 -","2","1","","Liu, Hao; Scott, Harrison M.; Lin, Binzhou; Huang, Xiaolong; Smith, Mark D.; Shimizu, Ken D.","Solvent attenuation of dispersion interactions quantified in polar and nonpolar media using rigid CH-π balances.","Chemical science","2025","16","38","17772","17778","10.1039/d5sc02852c","","x-ray","0.71073","MoKα","","0.0444","0.0413","","","0.108","0.1104","","","","","","1.124","","","","has coordinates","302561","2025-10-06","08:06:28",""
"1575562","12.7667","0.0009","11.3301","0.0008","14.2629","0.001","90","","97.786","0.002","90","","2044.1","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H20 F N O2 -","- C29 H20 F N O2 -","- C116 H80 F4 N4 O8 -","4","1","","Liu, Hao; Scott, Harrison M.; Lin, Binzhou; Huang, Xiaolong; Smith, Mark D.; Shimizu, Ken D.","Solvent attenuation of dispersion interactions quantified in polar and nonpolar media using rigid CH-π balances.","Chemical science","2025","16","38","17772","17778","10.1039/d5sc02852c","","x-ray","0.71073","MoKα","","0.0528","0.0458","","","0.1345","0.1407","","","","","","1.125","","","","has coordinates","302561","2025-10-06","08:06:28",""
"1575563","7.7533","0.0003","15.5357","0.0006","34.8973","0.0015","90","","90","","90","","4203.5","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C31 H20 F N O2 -","- C31 H20 F N O2 -","- C248 H160 F8 N8 O16 -","8","1","","Liu, Hao; Scott, Harrison M.; Lin, Binzhou; Huang, Xiaolong; Smith, Mark D.; Shimizu, Ken D.","Solvent attenuation of dispersion interactions quantified in polar and nonpolar media using rigid CH-π balances.","Chemical science","2025","16","38","17772","17778","10.1039/d5sc02852c","","x-ray","0.71073","MoKα","","0.0496","0.0457","","","0.1324","0.136","","","","","","1.116","","","","has coordinates","302561","2025-10-06","08:06:28",""
"1575564","10.7613","0.0007","12.7245","0.0008","13.5391","0.001","102.965","0.006","93.193","0.005","103.386","0.005","1746.2","0.2","85","","85","","","","","","","","","7","P -1","-P 1","2","","","","- C37 H33 F3 Fe N7 O4 S -","- C37 H33 F3 Fe N7 O4 S -","- C74 H66 F6 Fe2 N14 O8 S2 -","2","1","","LaDuca, Andrew R.; Gonder, Jared E.; Sarkar, Writhabrata; Gilbertson, John D.; Szymczak, Nathaniel K.","Rapid nitrite reduction enabled by secondary sphere hydrogen bonds within non-heme iron complexes.","Chemical science","2025","16","39","18364","18371","10.1039/d5sc04153h","","x-ray","1.54184","CuKα","","0.0972","0.0863","","","0.2338","0.2468","","","","","","1.039","","","","has coordinates","303639","2025-11-29","18:30:26",""
"1575565","11.61513","0.00015","18.7796","0.0002","13.19575","0.00019","90","","111.126","0.0015","90","","2684.91","0.07","85","","85","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H24 F6 Fe N5 O5 S2 -","- C23 H24 F6 Fe N5 O5 S2 -","- C92 H96 F24 Fe4 N20 O20 S8 -","4","1","","LaDuca, Andrew R.; Gonder, Jared E.; Sarkar, Writhabrata; Gilbertson, John D.; Szymczak, Nathaniel K.","Rapid nitrite reduction enabled by secondary sphere hydrogen bonds within non-heme iron complexes.","Chemical science","2025","16","39","18364","18371","10.1039/d5sc04153h","","","1.54184","CuKα","","0.038","0.0356","","","0.0904","0.0957","","","","","","1.069","","","","has coordinates","303639","2025-11-29","18:30:27",""
"1575566","5.1445","0.0001","17.9411","0.0005","32.6591","0.0007","90","","91.848","0.002","90","","3012.8","0.12","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C43 H28 N2 O2 -","- C43 H28 N2 O2 -","- C172 H112 N8 O8 -","4","1","","Liu, Xiao; Wen, Xue-Liang; Zhou, Yang; Tang, Chao; Tang, Diandong; Wang, Qian; Shi, Yibo; Liu, Lin; Sun, Wei; Feng, Kai; Fang, Wei-Hai; Qiao, Juan; Shen, Lin; Chen, Xuebo","Molecular design of sensitizers for high-efficiency OLEDs: exploration of energy transfer dynamics.","Chemical science","2025","16","37","17304","17315","10.1039/d5sc03817k","","x-ray","1.54184","CuKα","","0.1007","0.0677","","","0.1634","0.1737","","","","","","1.027","","","","has coordinates","302488","2025-10-06","07:35:41",""
"1575567","9.0251","0.0006","9.0365","0.0005","10.1245","0.0006","89.256","0.004","74.606","0.005","71.184","0.005","751.15","0.08","99.99","0.1","99.99","0.1","","","","","","","","4","P 1","P 1","1","","","","- C43 H28 N2 O2 -","- C43 H28 N2 O2 -","- C43 H28 N2 O2 -","1","1","","Liu, Xiao; Wen, Xue-Liang; Zhou, Yang; Tang, Chao; Tang, Diandong; Wang, Qian; Shi, Yibo; Liu, Lin; Sun, Wei; Feng, Kai; Fang, Wei-Hai; Qiao, Juan; Shen, Lin; Chen, Xuebo","Molecular design of sensitizers for high-efficiency OLEDs: exploration of energy transfer dynamics.","Chemical science","2025","16","37","17304","17315","10.1039/d5sc03817k","","x-ray","1.54184","CuKα","","0.0347","0.0332","","","0.0794","0.0803","","","","","","1.047","","","","has coordinates","302488","2025-10-06","07:35:42",""
"1575568","8.8906","0.0002","9.0722","0.0002","10.1623","0.0002","88.798","0.002","76.812","0.002","74.108","0.002","766.79","0.03","100","0.4","100","0.4","","","","","","","","5","P 1","P 1","1","","","","- C43 H28 N2 O S -","- C43 H28 N2 O S -","- C43 H28 N2 O S -","1","1","","Liu, Xiao; Wen, Xue-Liang; Zhou, Yang; Tang, Chao; Tang, Diandong; Wang, Qian; Shi, Yibo; Liu, Lin; Sun, Wei; Feng, Kai; Fang, Wei-Hai; Qiao, Juan; Shen, Lin; Chen, Xuebo","Molecular design of sensitizers for high-efficiency OLEDs: exploration of energy transfer dynamics.","Chemical science","2025","16","37","17304","17315","10.1039/d5sc03817k","","x-ray","1.54184","CuKα","","0.0348","0.0341","","","0.086","0.0866","","","","","","1.044","","","","has coordinates","302488","2025-10-06","07:35:42",""
"1575569","18.0046","0.0003","19.7746","0.0004","27.2387","0.0005","70.6596","0.0017","73.3726","0.0016","85.7978","0.0015","8765.5","0.3","100","0.2","100","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C172 H276 K4 N8 -","- C172 H276 K4 N8 -","- C344 H552 K8 N16 -","2","1","","Jędrzkiewicz, Dawid; Morasch, Michael; Townrow, Oliver P. E.; Rösch, Bastian; Langer, Jens; Mathe, Zachary; Harder, Sjoerd","Trends in benzene inverse sandwich complexes of the alkaline-earth metals Mg, Ca, Sr and Ba.","Chemical science","2025","16","38","17793","17802","10.1039/d5sc05373k","","x-ray","1.54184","CuKα","","0.0689","0.0584","","","0.1564","0.1689","","","","","","1.042","","","","has coordinates,has disorder","302556","2025-10-06","08:04:57",""
"1575570","19.899","0.0002","19.899","0.0002","42.0248","0.001","90","","90","","90","","16640.6","0.5","100.01","0.1","100.01","0.1","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- C86 H138 I2 N4 Sr2 -","- C86 H138 I2 N4 Sr2 -","- C688 H1104 I16 N32 Sr16 -","8","0.25","","Jędrzkiewicz, Dawid; Morasch, Michael; Townrow, Oliver P. E.; Rösch, Bastian; Langer, Jens; Mathe, Zachary; Harder, Sjoerd","Trends in benzene inverse sandwich complexes of the alkaline-earth metals Mg, Ca, Sr and Ba.","Chemical science","2025","16","38","17793","17802","10.1039/d5sc05373k","","x-ray","1.54184","CuKα","","0.0373","0.0299","","","0.0736","0.0782","","","","","","1.054","","","","has coordinates","302556","2025-10-06","08:04:57",""
"1575571","12.436","0.0014","22.839","0.002","30.727","0.003","90","","97.93","0.01","90","","8643.8","1.5","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C189 H300 Ca4 N8 -","- C189 H300 Ca4 N8 -","- C378 H600 Ca8 N16 -","2","0.5","","Jędrzkiewicz, Dawid; Morasch, Michael; Townrow, Oliver P. E.; Rösch, Bastian; Langer, Jens; Mathe, Zachary; Harder, Sjoerd","Trends in benzene inverse sandwich complexes of the alkaline-earth metals Mg, Ca, Sr and Ba.","Chemical science","2025","16","38","17793","17802","10.1039/d5sc05373k","","x-ray","1.54184","CuKα","","0.0394","0.033","","","0.0796","0.0833","","","","","","1.017","","","","has coordinates,has disorder","302556","2025-10-06","08:04:57",""
"1575572","9.64881","0.00013","26.2579","0.0003","27.1109","0.0003","78.9461","0.001","85.4731","0.001","79.5197","0.0011","6621.94","0.14","99.97","0.13","99.97","0.13","","","","","","","","4","P -1","-P 1","2","","","","- C104 H134 Ba2 N4 -","- C104 H134 Ba2 N4 -","- C312 H402 Ba6 N12 -","3","1.5","","Jędrzkiewicz, Dawid; Morasch, Michael; Townrow, Oliver P. E.; Rösch, Bastian; Langer, Jens; Mathe, Zachary; Harder, Sjoerd","Trends in benzene inverse sandwich complexes of the alkaline-earth metals Mg, Ca, Sr and Ba.","Chemical science","2025","16","38","17793","17802","10.1039/d5sc05373k","","x-ray","0.71073","MoKα","","0.0477","0.0358","","","0.0721","0.077","","","","","","1.085","","","","has coordinates,has disorder","302556","2025-10-06","08:04:57",""
"1575573","21.0407","0.0003","20.0279","0.0002","20.3948","0.0002","90","","90","","90","","8594.39","0.17","99.9","0.4","99.9","0.4","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C92 H144 Ca2 I2 N4 -","- C92 H144 Ca2 I2 N4 -","- C368 H576 Ca8 I8 N16 -","4","0.5","","Jędrzkiewicz, Dawid; Morasch, Michael; Townrow, Oliver P. E.; Rösch, Bastian; Langer, Jens; Mathe, Zachary; Harder, Sjoerd","Trends in benzene inverse sandwich complexes of the alkaline-earth metals Mg, Ca, Sr and Ba.","Chemical science","2025","16","38","17793","17802","10.1039/d5sc05373k","","x-ray","1.54184","CuKα","","0.0302","0.028","","","0.0702","0.0717","","","","","","1.111","","","","has coordinates,has disorder","302556","2025-10-06","08:04:57",""
"1575574","17.1405","0.0003","16.1273","0.0003","37.6114","0.0009","90","","90","","90","","10396.9","0.4","100.01","0.1","100.01","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C52 H89 Ca I N2 O -","- C52 H89 Ca I N2 O -","- C416 H712 Ca8 I8 N16 O8 -","8","1","","Jędrzkiewicz, Dawid; Morasch, Michael; Townrow, Oliver P. E.; Rösch, Bastian; Langer, Jens; Mathe, Zachary; Harder, Sjoerd","Trends in benzene inverse sandwich complexes of the alkaline-earth metals Mg, Ca, Sr and Ba.","Chemical science","2025","16","38","17793","17802","10.1039/d5sc05373k","","x-ray","0.71073","MoKα","","0.0644","0.0475","","","0.1129","0.1263","","","","","","1.062","","","","has coordinates,has disorder","302556","2025-10-06","08:04:57",""
"1575575","19.9739","0.0001","19.9739","0.0001","24.5351","0.0004","90","","90","","90","","9788.44","0.17","99.99","0.13","99.99","0.13","","","","","","","","5","I -4 c 2","I -4 -2c","120","","","","- C86 H138 Ba2 I2 N4 -","- C86 H138 Ba2 I2 N4 -","- C344 H552 Ba8 I8 N16 -","4","0.25","","Jędrzkiewicz, Dawid; Morasch, Michael; Townrow, Oliver P. E.; Rösch, Bastian; Langer, Jens; Mathe, Zachary; Harder, Sjoerd","Trends in benzene inverse sandwich complexes of the alkaline-earth metals Mg, Ca, Sr and Ba.","Chemical science","2025","16","38","17793","17802","10.1039/d5sc05373k","","x-ray","0.71073","MoKα","","0.0239","0.0199","","","0.0425","0.0441","","","","","","1.042","","","","has coordinates","302556","2025-10-06","08:04:57",""
"1575576","12.21855","0.00008","22.92842","0.00017","31.5562","0.0003","90","","97.7853","0.0007","90","","8759.05","0.12","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C189 H300 N8 Sr4 -","- C189 H300 N8 Sr4 -","- C378 H600 N16 Sr8 -","2","0.5","","Jędrzkiewicz, Dawid; Morasch, Michael; Townrow, Oliver P. E.; Rösch, Bastian; Langer, Jens; Mathe, Zachary; Harder, Sjoerd","Trends in benzene inverse sandwich complexes of the alkaline-earth metals Mg, Ca, Sr and Ba.","Chemical science","2025","16","38","17793","17802","10.1039/d5sc05373k","","","1.54184","CuKα","","0.0374","0.0325","","","0.0811","0.0846","","","","","","1.018","","","","has coordinates,has disorder","302556","2025-10-06","08:04:57",""
"1575577","15.84065","0.00018","23.0138","0.0003","30.6235","0.0003","108.831","0.001","94.108","0.0009","109.852","0.0011","9730.3","0.2","99.97","0.11","99.97","0.11","","","","","","","","4","P -1","-P 1","2","","","","- C92 H144 Ba2 N4 -","- C92 H144 Ba2 N4 -","- C368 H576 Ba8 N16 -","4","2","","Jędrzkiewicz, Dawid; Morasch, Michael; Townrow, Oliver P. E.; Rösch, Bastian; Langer, Jens; Mathe, Zachary; Harder, Sjoerd","Trends in benzene inverse sandwich complexes of the alkaline-earth metals Mg, Ca, Sr and Ba.","Chemical science","2025","16","38","17793","17802","10.1039/d5sc05373k","","","1.54184","CuKα","","0.0419","0.0372","","","0.0908","0.094","","","","","","1.006","","","","has coordinates,has disorder","302556","2025-10-06","08:04:57",""
"1575583","33.532","0.004","9.7242","0.0012","23.877","0.002","90","","91.794","0.004","90","","7781.8","1.5","300","","300","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C27 H20 O -","- C27 H20 O -","- C432 H320 O16 -","16","2","","Fan, Lin; Wang, Pengyang; He, Chang; Chen, Xiaoyu; Dai, Linlong; Xiong, Daokai; Zhong, Guofu","Regiodivergent Lewis acid catalysis of bicyclo[1.1.0]butanes with 2-naphthols.","Chemical science","2025","16","39","18255","18262","10.1039/d5sc05468k","","x-ray","0.71073","MoKα","","0.0681","0.044","","","0.0954","0.1165","","","","","","1.08","","","","has coordinates","303643","2025-11-29","18:31:26",""
"1575584","9.7775","0.0002","9.8032","0.0002","10.7751","0.0002","103.825","0.001","106.259","0.001","106.755","0.001","890.15","0.03","193","","193","","","","","","","","","3","P -1","-P 1","2","","","","- C24 H18 O3 -","- C24 H18 O3 -","- C48 H36 O6 -","2","1","","Fan, Lin; Wang, Pengyang; He, Chang; Chen, Xiaoyu; Dai, Linlong; Xiong, Daokai; Zhong, Guofu","Regiodivergent Lewis acid catalysis of bicyclo[1.1.0]butanes with 2-naphthols.","Chemical science","2025","16","39","18255","18262","10.1039/d5sc05468k","","","1.54178","CuKα","","0.0419","0.038","","","0.1001","0.1042","","","","","","1.042","","","","has coordinates","303643","2025-11-29","18:31:27",""
"1575585","6.5568","0.001","22.582","0.004","13.2604","0.0019","90","","93.006","0.006","90","","1960.7","0.5","300","","300","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C27 H22 O2 -","- C27 H22 O2 -","- C108 H88 O8 -","4","1","","Fan, Lin; Wang, Pengyang; He, Chang; Chen, Xiaoyu; Dai, Linlong; Xiong, Daokai; Zhong, Guofu","Regiodivergent Lewis acid catalysis of bicyclo[1.1.0]butanes with 2-naphthols.","Chemical science","2025","16","39","18255","18262","10.1039/d5sc05468k","","x-ray","0.71073","MoKα","","0.0626","0.045","","","0.1089","0.1227","","","","","","1.048","","","","has coordinates","303643","2025-11-29","18:31:27",""
"1575588","28.49936","0.00019","9.31608","0.00007","15.74192","0.00012","90","","95.0936","0.0007","90","","4163.01","0.05","298","2","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C3.79 H2.97 B0.07 N0.14 O0.07 -","- C3.7931 H2.96552 B0.0689655 N0.137931 O0.0689655 -","- C220 H172 B4 N8 O4 -","58","14.5","","Li, Deli; Liu, Denghui; Li, Mengke; Liu, Qingchao; Liu, Wei; Li, Wei; Su, Shi-Jian; Jiang, Xuchuan","Peripherally fused spiro structures enable the development of narrowband TADF emitters for highly efficient blue OLEDs.","Chemical science","2025","16","39","18332","18340","10.1039/d5sc05501f","","x-ray","1.54184","CuKα","","0.0643","0.0584","","","0.1575","0.1656","","","","","","1.026","","","","has coordinates","303640","2025-11-29","18:30:38",""
"1575596","18.2827","0.0006","18.2827","0.0006","20.6322","0.0011","90","","90","","90","","6896.5","0.5","100","","100","","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C34 H45 N2 O2 Sb -","- C34 H45 N2 O2 Sb -","- C272 H360 N16 O16 Sb8 -","8","1","","Karnbrock, Simon B. H.; Köster, Jan F; Becker, Isabelle; Golz, Christopher; Meyer, Franc; Gimferrer, Martí; Alcarazo, Manuel","Bis(amidophenolate)-supported pnictoranides: Lewis acid-induced electromerism in a bismuth complex.","Chemical science","2025","16","31","14178","14185","10.1039/d5sc03374h","","x-ray","0.71073","MoKα","","0.0248","0.0235","","","0.067","0.0683","","","","","","1.086","","","","has coordinates","302004","2025-09-04","09:50:23",""
"1575597","10.186","0.004","18.226","0.014","19.858","0.015","90","","90","","90","","3687","4","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C41 H53 Bi N2 O2 -","- C41 H53 Bi N2 O2 -","- C164 H212 Bi4 N8 O8 -","4","1","","Karnbrock, Simon B. H.; Köster, Jan F; Becker, Isabelle; Golz, Christopher; Meyer, Franc; Gimferrer, Martí; Alcarazo, Manuel","Bis(amidophenolate)-supported pnictoranides: Lewis acid-induced electromerism in a bismuth complex.","Chemical science","2025","16","31","14178","14185","10.1039/d5sc03374h","","x-ray","0.71073","MoKα","","0.046","0.0357","","","0.0735","0.0778","","","","","","1.076","","","","has coordinates,has disorder","302004","2025-09-04","09:50:25",""
"1575598","11.2137","0.001","22.3307","0.0012","15.4939","0.0015","90","","105.942","0.002","90","","3730.6","0.5","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H49 Fe N2 O4 P -","- C41 H49 Fe N2 O4 P -","- C164 H196 Fe4 N8 O16 P4 -","4","1","","Karnbrock, Simon B. H.; Köster, Jan F; Becker, Isabelle; Golz, Christopher; Meyer, Franc; Gimferrer, Martí; Alcarazo, Manuel","Bis(amidophenolate)-supported pnictoranides: Lewis acid-induced electromerism in a bismuth complex.","Chemical science","2025","16","31","14178","14185","10.1039/d5sc03374h","","x-ray","0.71073","MoKα","","0.0401","0.035","","","0.094","0.0984","","","","","","1.013","","","","has coordinates,has disorder","302004","2025-09-04","09:50:25",""
"1575599","13.6886","0.0001","13.6886","0.0001","49.9629","0.0009","90","","90","","120","","8107.68","0.17","100","","100","","","","","","","","","6","P 61","P 61","169","","","","- C52 H80 K N4 O8 P -","- C52 H80 K N4 O8 P -","- C312 H480 K6 N24 O48 P6 -","6","1","","Karnbrock, Simon B. H.; Köster, Jan F; Becker, Isabelle; Golz, Christopher; Meyer, Franc; Gimferrer, Martí; Alcarazo, Manuel","Bis(amidophenolate)-supported pnictoranides: Lewis acid-induced electromerism in a bismuth complex.","Chemical science","2025","16","31","14178","14185","10.1039/d5sc03374h","","x-ray","1.54178","CuKα","","0.0553","0.0485","","","0.126","0.132","","","","","","1.03","","","","has coordinates,has disorder","302004","2025-09-04","09:50:25",""
"1575600","12.6242","0.0007","16.1575","0.001","18.7294","0.0012","90","","90","","90","","3820.3","0.4","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C41 H49 Bi Fe N2 O4 -","- C41 H49 Bi Fe N2 O4 -","- C164 H196 Bi4 Fe4 N8 O16 -","4","1","","Karnbrock, Simon B. H.; Köster, Jan F; Becker, Isabelle; Golz, Christopher; Meyer, Franc; Gimferrer, Martí; Alcarazo, Manuel","Bis(amidophenolate)-supported pnictoranides: Lewis acid-induced electromerism in a bismuth complex.","Chemical science","2025","16","31","14178","14185","10.1039/d5sc03374h","","x-ray","0.56086","AgKα","","0.0411","0.0353","","","0.085","0.089","","","","","","1.037","","","","has coordinates,has disorder","302004","2025-09-04","09:50:25",""
"1575601","11.0459","0.0006","15.0934","0.0005","24.3347","0.0011","90","","90","","90","","4057.1","0.3","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C43 H52 Fe N3 O4 Sb -","- C43 H52 Fe N3 O4 Sb -","- C172 H208 Fe4 N12 O16 Sb4 -","4","1","","Karnbrock, Simon B. H.; Köster, Jan F; Becker, Isabelle; Golz, Christopher; Meyer, Franc; Gimferrer, Martí; Alcarazo, Manuel","Bis(amidophenolate)-supported pnictoranides: Lewis acid-induced electromerism in a bismuth complex.","Chemical science","2025","16","31","14178","14185","10.1039/d5sc03374h","","x-ray","0.71073","MoKα","","0.0213","0.0202","","","0.0494","0.0501","","","","","","1.033","","","","has coordinates","302004","2025-09-04","09:50:26",""
"1575602","19.5035","0.001","19.1189","0.0012","34.1547","0.0018","90","","91.153","0.002","90","","12733.2","1.2","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C60.75 H90 K N4 O8 Sb -","- C52 H80 K N4 O8 Sb -","- C416 H640 K8 N32 O64 Sb8 -","8","1","","Karnbrock, Simon B. H.; Köster, Jan F; Becker, Isabelle; Golz, Christopher; Meyer, Franc; Gimferrer, Martí; Alcarazo, Manuel","Bis(amidophenolate)-supported pnictoranides: Lewis acid-induced electromerism in a bismuth complex.","Chemical science","2025","16","31","14178","14185","10.1039/d5sc03374h","","x-ray","0.71073","MoKα","","0.038","0.0327","","","0.0772","0.0793","","","","","","1.104","","","","has coordinates,has disorder","302004","2025-09-04","09:50:26",""
"1575603","11.1002","0.0007","24.3068","0.0019","29.174","0.002","90","","90.71","0.002","90","","7870.8","1","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C170 H205 As4 Fe4 N11 O16 -","- C170 H205 As4 Fe4 N11 O16 -","- C340 H410 As8 Fe8 N22 O32 -","2","0.5","","Karnbrock, Simon B. H.; Köster, Jan F; Becker, Isabelle; Golz, Christopher; Meyer, Franc; Gimferrer, Martí; Alcarazo, Manuel","Bis(amidophenolate)-supported pnictoranides: Lewis acid-induced electromerism in a bismuth complex.","Chemical science","2025","16","31","14178","14185","10.1039/d5sc03374h","","x-ray","0.71073","MoKα","","0.0438","0.0346","","","0.0807","0.0844","","","","","","1.059","","","","has coordinates,has disorder","302004","2025-09-04","09:50:26",""
"1575604","14.9091","0.0006","16.9235","0.0008","21.9544","0.0009","90","","103.203","0.002","90","","5393","0.4","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H80 K N4 O8 P -","- C52 H80 K N4 O8 P -","- C208 H320 K4 N16 O32 P4 -","4","1","","Karnbrock, Simon B. H.; Köster, Jan F; Becker, Isabelle; Golz, Christopher; Meyer, Franc; Gimferrer, Martí; Alcarazo, Manuel","Bis(amidophenolate)-supported pnictoranides: Lewis acid-induced electromerism in a bismuth complex.","Chemical science","2025","16","31","14178","14185","10.1039/d5sc03374h","","x-ray","0.71073","MoKα","","0.0779","0.0724","","","0.1776","0.1824","","","","","","1.022","","","","has coordinates,has disorder","302004","2025-09-04","09:50:26",""
"1575605","33.0221","0.001","18.8484","0.0005","19.1838","0.0006","90","","115.618","0.001","90","","10766.5","0.6","100","","100","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C52 H79.5 Bi K N4 O8 -","- C52 H79.5 Bi K N4 O8 -","- C416 H636 Bi8 K8 N32 O64 -","8","2","","Karnbrock, Simon B. H.; Köster, Jan F; Becker, Isabelle; Golz, Christopher; Meyer, Franc; Gimferrer, Martí; Alcarazo, Manuel","Bis(amidophenolate)-supported pnictoranides: Lewis acid-induced electromerism in a bismuth complex.","Chemical science","2025","16","31","14178","14185","10.1039/d5sc03374h","","x-ray","0.71073","MoKα","","0.0267","0.0254","","","0.0679","0.0686","","","","","","1.042","","","","has coordinates,has disorder","302004","2025-09-04","09:50:27",""
"1575606","7.0957","0.001","12.1687","0.0017","22.545","0.003","90","","91.046","0.003","90","","1946.3","0.5","273","2","273","2","","","","","","","","4","C 1 c 1","C -2yc","9","","Ba3Al2B12O24","","- Al2 B12 Ba3 O24 -","- Al2 B12 Ba3 O24 -","- Al8 B48 Ba12 O96 -","4","1","","Liu, Xiaorong; Wu, Hongping; Hu, Zhanggui; Wang, Jiyang; Wu, Yicheng; Yu, Hongwei","Ba<sub>3</sub>Al<sub>2</sub>B<sub>12</sub>O<sub>24</sub>: a beryllium-free member of the Sr<sub>2</sub>Be<sub>2</sub>B<sub>2</sub>O<sub>7</sub> family with a <sup>2</sup> <sub>∞</sub>[B<sub>12</sub>Al<sub>2</sub>O<sub>28</sub>] double-layered structure.","Chemical science","2025","16","38","17766","17771","10.1039/d5sc03854e","","","0.71073","MoKα","","0.0442","0.0363","","","0.0688","0.0733","","","","","","1.067","","","","has coordinates","302559","2025-10-06","08:05:46",""
"1575621","15.539","0.0004","9.5032","0.0002","18.1818","0.0004","90","","97.433","0.002","90","","2662.35","0.11","100","0.1","100","0.1","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C31 H29 Br Co0.5 O1.5 P2 -","- C31 H29 Br Co0.5 O1.5 P2 -","- C124 H116 Br4 Co2 O6 P8 -","4","1","","Xu, Chao; Bao, Zhi-Peng; Shao, Sufang; Wu, Xiao-Feng","Cobalt-catalyzed direct carbonylative 3-acylation of (N-H)Indoles with alkyl halides.","Chemical science","2025","16","40","18838","18843","10.1039/d5sc05810d","","x-ray","1.54184","CuKα","","0.0794","0.0735","","","0.1979","0.2035","","","","","","1.049","","","","has coordinates","303658","2025-11-29","18:37:08",""
"1575639","23.51","0.07","42.59","0.1","104.3","0.3","90","","90","","90","","104435","5","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","metal–peptide helical β-sheet tape (Abu, Val)","","- C34.67 H49 Ag F5 N7.83 O12.33 S1.67 -","- C34.6667 H47 Ag F5 N7.83333 O12.3333 S1.66667 -","- C1664 H2256 Ag48 F240 N376 O592 S80 -","48","12","","Tsunekawa, Eisuke; Nakama, Takahiro; Fujita, Makoto; Sawada, Tomohisa","Engineering β-sheet morphologies <i>via</i> metal cross-linking and side chain modifications.","Chemical science","2025","16","40","18832","18837","10.1039/d5sc05237h","","","0.7","synchrotron","","0.2237","0.1581","","","0.3613","0.4099","","","","","","1.288","","","","has coordinates","303660","2025-11-29","18:40:14",""
"1575640","22.89","0.03","22.89","0.03","51.99","0.05","90","","90","","90","","27240","6","100","2","100","2","","","","","","","","7","P 43 2 2","P 4cw 2c","95","","metal–peptide helical β-sheet tape (Thr, Tle)","","- C35 H50 Ag F3 N7.5 O11.5 S -","- C35 H49 Ag F3 N7.5 O11.5 S -","- C560 H784 Ag16 F48 N120 O184 S16 -","16","2","","Tsunekawa, Eisuke; Nakama, Takahiro; Fujita, Makoto; Sawada, Tomohisa","Engineering β-sheet morphologies <i>via</i> metal cross-linking and side chain modifications.","Chemical science","2025","16","40","18832","18837","10.1039/d5sc05237h","","","1","synchrotron","","0.3066","0.1939","","","0.4502","0.5295","","","","","","1.298","","","","has coordinates","303660","2025-11-29","18:40:14",""
"1575641","14.238","0.003","16.076","0.003","18.83","0.004","83.96","0.03","73.23","0.03","83.06","0.03","4085.2","1.6","100","2","100","2","","","","","","","","4","P 1","P 1","1","","pentapeptide ligand (Val, Val)","","- C34.75 H52.25 N7.25 O9 -","- C34.75 H50.75 N7.25 O9 -","- C139 H203 N29 O36 -","4","4","","Tsunekawa, Eisuke; Nakama, Takahiro; Fujita, Makoto; Sawada, Tomohisa","Engineering β-sheet morphologies <i>via</i> metal cross-linking and side chain modifications.","Chemical science","2025","16","40","18832","18837","10.1039/d5sc05237h","","","1","synchrotron","","0.1348","0.1307","","","0.3378","0.3514","","","","","","1.337","","","","has coordinates","303660","2025-11-29","18:40:14",""
"1575642","32.1","0.02","32.1","0.02","90.47","0.07","90","","90","","120","","80732","9","100","2","100","2","","","","","","","","7","P 61 2 2","P 61 2 (0 0 5)","178","","metal–peptide double helical β-sheet tape (Val, Tle)","","- C36.35 H53 Ag F4.05 N7.67 O11.7 S1.35 -","- C36.35 H51 Ag F4.05 N7.675 O11.7 S1.35 -","- C1744.8 H2448 Ag48 F194.4 N368.4 O561.6 S64.8 -","48","4","","Tsunekawa, Eisuke; Nakama, Takahiro; Fujita, Makoto; Sawada, Tomohisa","Engineering β-sheet morphologies <i>via</i> metal cross-linking and side chain modifications.","Chemical science","2025","16","40","18832","18837","10.1039/d5sc05237h","","","0.7","synchrotron","","0.2392","0.1848","","","0.4253","0.4788","","","","","","1.272","","","","has coordinates,has disorder","303660","2025-11-29","18:40:14",""
"1575643","20.786","0.011","35.384","0.01","51.125","0.016","90","","90","","90","","37602","3","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","metal–peptide β-bulge structure (Tle, Tle)","","- C36 H53.75 Ag F4.72 N7 O8.38 Sb0.79 -","- C36 H53 Ag F4.725 N7 O8.375 Sb0.7875 -","- C1152 H1696 Ag32 F151.2 N224 O268 Sb25.2 -","32","8","","Tsunekawa, Eisuke; Nakama, Takahiro; Fujita, Makoto; Sawada, Tomohisa","Engineering β-sheet morphologies <i>via</i> metal cross-linking and side chain modifications.","Chemical science","2025","16","40","18832","18837","10.1039/d5sc05237h","","","1","synchrotron","","0.1985","0.1545","","","0.4034","0.4455","","","","","","1.281","","","","has coordinates","303660","2025-11-29","18:40:14",""
"1575644","25.8746","0.0005","25.8746","0.0005","50.6017","0.0008","90","","90","","120","","29338.8","0.9","100","2","100","2","","","","","","","","7","P 32 1 2","P 32 2 (0 0 2)","153","","metal–peptide double helical β-sheet tape (Ile, Val)","","- C36.25 H51 Ag F3.75 N7.62 O10.5 S1.25 -","- C36.25 H51 Ag F3.75 N7.625 O10.5 S1.25 -","- C870 H1224 Ag24 F90 N183 O252 S30 -","24","4","","Tsunekawa, Eisuke; Nakama, Takahiro; Fujita, Makoto; Sawada, Tomohisa","Engineering β-sheet morphologies <i>via</i> metal cross-linking and side chain modifications.","Chemical science","2025","16","40","18832","18837","10.1039/d5sc05237h","","","1.54184","CuKα","","0.228","0.11","","","0.2631","0.2966","","","","","","1.077","","","","has coordinates,has disorder","303660","2025-11-29","18:40:14",""
"1575645","25.794","0.004","25.794","0.004","50.545","0.01","90","","90","","120","","29124","9","100","2","100","2","","","","","","","","7","P 32","P 32","145","","metal–peptide double helical β-sheet tape (Val, Val)","","- C35.58 H51 Ag F4.72 N7.79 O11.65 S1.57 -","- C35.575 H49 Ag F4.725 N7.7875 O11.65 S1.575 -","- C853.8 H1176 Ag24 F113.4 N186.9 O279.6 S37.8 -","24","8","","Tsunekawa, Eisuke; Nakama, Takahiro; Fujita, Makoto; Sawada, Tomohisa","Engineering β-sheet morphologies <i>via</i> metal cross-linking and side chain modifications.","Chemical science","2025","16","40","18832","18837","10.1039/d5sc05237h","","","1.54184","CuKα","","0.0755","0.0736","","","0.1946","0.1992","","","","","","1.035","","","","has coordinates,has disorder","303660","2025-11-29","18:40:14",""
"1575646","24.635","0.007","44.065","0.012","103.3","0.02","90","","90","","90","","112136","5","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","metal–peptide helical β-sheet tape (Val, Val) with C12","","- C46.63 H71.33 Ag0.92 F4.9 N7.82 O11.43 S1.63 -","- C46.6333 H71 Ag0.916667 F4.9 N7.81667 O11.4333 S1.63333 -","- C2238.4 H3408 Ag44 F235.2 N375.2 O548.8 S78.4 -","48","12","","Tsunekawa, Eisuke; Nakama, Takahiro; Fujita, Makoto; Sawada, Tomohisa","Engineering β-sheet morphologies <i>via</i> metal cross-linking and side chain modifications.","Chemical science","2025","16","40","18832","18837","10.1039/d5sc05237h","","","1","synchrotron","","0.3468","0.1885","","","0.4201","0.511","","","","","","1.285","","","","has coordinates","303660","2025-11-29","18:40:14",""
"1575647","8.3257","0.0003","9.4769","0.0003","17.6231","0.0006","90","","90","","90","","1390.49","0.08","150","2","150.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C7 H15 Br4 N Pb -","- C7 H18 Br4 N Pb -","- C28 H72 Br16 N4 Pb4 -","4","0.5","","Yang, Gang; Ye, Wei; Shen, Yueqi; Shao, Dong-Sheng; Liu, Jian-Lan; Tian, Zheng-Fang; Ning, Weihua; Ren, Xiao-Ming","Thermally responsive multistate fluorescence coupled with uniaxial negative thermal expansion in 1D lead halide hybrids.","Chemical science","2025","16","40","18766","18774","10.1039/d5sc05322f","","","0.71073","MoKα","","0.0311","0.0284","","","0.0761","0.0776","","","","","","1.063","","","","has coordinates,has disorder","303651","2025-11-29","18:34:51",""
"1575648","8.2813","0.0006","9.5881","0.0007","18.1544","0.0018","90","","90","","90","","1441.5","0.2","321","2","321.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","BR-HTP","","- C7 H15 Br4 N Pb -","- C7 H15 Br4 N Pb -","- C28 H60 Br16 N4 Pb4 -","4","0.5","","Yang, Gang; Ye, Wei; Shen, Yueqi; Shao, Dong-Sheng; Liu, Jian-Lan; Tian, Zheng-Fang; Ning, Weihua; Ren, Xiao-Ming","Thermally responsive multistate fluorescence coupled with uniaxial negative thermal expansion in 1D lead halide hybrids.","Chemical science","2025","16","40","18766","18774","10.1039/d5sc05322f","","","0.71073","MoKα","","0.0554","0.0431","","","0.1128","0.119","","","","","","1.063","","","","has coordinates","303651","2025-11-29","18:34:52",""
"1575649","8.0114","0.0004","9.1767","0.0004","17.0882","0.0007","90","","90","","90","","1256.29","0.1","150","2","150.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Cl-150K","","- C7 H15 Cl4 N Pb -","- C7 H15 Cl4 N Pb -","- C28 H60 Cl16 N4 Pb4 -","4","0.5","","Yang, Gang; Ye, Wei; Shen, Yueqi; Shao, Dong-Sheng; Liu, Jian-Lan; Tian, Zheng-Fang; Ning, Weihua; Ren, Xiao-Ming","Thermally responsive multistate fluorescence coupled with uniaxial negative thermal expansion in 1D lead halide hybrids.","Chemical science","2025","16","40","18766","18774","10.1039/d5sc05322f","","","0.71073","MoKα","","0.0408","0.0371","","","0.1155","0.1219","","","","","","0.731","","","","has coordinates,has disorder","303651","2025-11-29","18:34:52",""
"1575650","7.9422","0.0004","9.3809","0.0005","17.8601","0.0011","90","","90","","90","","1330.67","0.13","390","2","390.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C7 H15 Cl4 N Pb -","- C7 H15 Cl4 N Pb -","- C28 H60 Cl16 N4 Pb4 -","4","0.5","","Yang, Gang; Ye, Wei; Shen, Yueqi; Shao, Dong-Sheng; Liu, Jian-Lan; Tian, Zheng-Fang; Ning, Weihua; Ren, Xiao-Ming","Thermally responsive multistate fluorescence coupled with uniaxial negative thermal expansion in 1D lead halide hybrids.","Chemical science","2025","16","40","18766","18774","10.1039/d5sc05322f","","","0.71073","MoKα","","0.0611","0.0501","","","0.1342","0.1404","","","","","","1.065","","","","has coordinates","303651","2025-11-29","18:34:52",""
"1575651","12.9423","0.0002","19.0119","0.0004","20.27","0.0003","109.672","0.002","93.581","0.001","105.223","0.002","4468.8","0.16","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C80 H56 B4 F16 N12 Pd2 -","- C80 H56 B4 F16 N12 Pd2 -","- C160 H112 B8 F32 N24 Pd4 -","2","1","","Molinska, Paulina; Male, Louise; Lewis, James E. M.","Coordination sphere interactions drive isomer selection in heteroleptic Pd(ii) cages with low-symmetry ligands.","Chemical science","2025","16","38","17939","17947","10.1039/d5sc04881h","","x-ray","1.54184","CuKα","","0.0701","0.0613","","","0.1758","0.1862","","","","","","1.045","","","","has coordinates,has disorder","302563","2025-10-06","08:06:54",""
"1575652","12.5045","0.0004","42.5947","0.0013","15.1704","0.0005","90","","100.318","0.003","90","","7949.5","0.4","100","0.1","100","0.1","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C74 H59 B4 F16 N9 O Pd2 -","- C74 H59 B4 F16 N9 O Pd2 -","- C296 H236 B16 F64 N36 O4 Pd8 -","4","0.5","","Molinska, Paulina; Male, Louise; Lewis, James E. M.","Coordination sphere interactions drive isomer selection in heteroleptic Pd(ii) cages with low-symmetry ligands.","Chemical science","2025","16","38","17939","17947","10.1039/d5sc04881h","","x-ray","1.54184","CuKα","","0.0776","0.0658","","","0.1868","0.2019","","","","","","1.024","","","","has coordinates,has disorder","302563","2025-10-06","08:06:54",""
"1575653","11.4465","0.0002","18.8695","0.0004","20.7359","0.0004","63.129","0.002","85.66","0.002","82.854","0.002","3963.17","0.15","99.99","0.1","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C72 H54 B4 F16 N14 Pd2 -","- C72 H54 B4 F16 N14 Pd2 -","- C144 H108 B8 F32 N28 Pd4 -","2","1","","Molinska, Paulina; Male, Louise; Lewis, James E. M.","Coordination sphere interactions drive isomer selection in heteroleptic Pd(ii) cages with low-symmetry ligands.","Chemical science","2025","16","38","17939","17947","10.1039/d5sc04881h","","","1.54184","CuKα","","0.0973","0.0789","","","0.218","0.2323","","","","","","1.028","","","","has coordinates,has disorder","302563","2025-10-06","08:06:54",""
"1575654","25.5025","0.0004","23.9957","0.0002","25.7921","0.0004","90","","118.148","0.002","90","","13916.8","0.4","150","0.1","150","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C57 H78 Cl2 N4 P2 -","- C57 H78 Cl2 N4 P2 -","- C456 H624 Cl16 N32 P16 -","8","1","","Liu, Shihua; Zheng, Shunlin; Lin, Jieli; Grützmacher, Hansjörg; Su, Cheng-Yong; Li, Zhongshu","Büchner-type ring expansion of aromatic main-group biradicaloids toward phosphorus radical-derived NIR-II photothermal materials.","Chemical science","2025","16","40","18775","18782","10.1039/d5sc06158j","","x-ray","1.54184","CuKα","","0.0737","0.0673","","","0.2229","0.2286","","","","","","1.075","","","","has coordinates,has disorder","303659","2025-11-29","18:38:34",""
"1575655","15.6986","0.0003","24.4943","0.0004","16.1351","0.0003","90","","112.034","0.002","90","","5751.2","0.2","100","0.2","100","0.2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C57 H77 Cl N4 P2 -","- C57 H77 Cl N4 P2 -","- C228 H308 Cl4 N16 P8 -","4","0.5","","Liu, Shihua; Zheng, Shunlin; Lin, Jieli; Grützmacher, Hansjörg; Su, Cheng-Yong; Li, Zhongshu","Büchner-type ring expansion of aromatic main-group biradicaloids toward phosphorus radical-derived NIR-II photothermal materials.","Chemical science","2025","16","40","18775","18782","10.1039/d5sc06158j","","x-ray","1.54184","CuKα","","0.0484","0.0448","","","0.114","0.1164","","","","","","1.041","","","","has coordinates,has disorder","303659","2025-11-29","18:38:34",""
"1575656","16.5434","0.0014","12.843","0.0011","25.526","0.002","90","","102.619","0.004","90","","5292.4","0.8","150","","150","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C57 H77 N4 P2 -","- C57 H77 N4 P2 -","- C228 H308 N16 P8 -","4","1","","Liu, Shihua; Zheng, Shunlin; Lin, Jieli; Grützmacher, Hansjörg; Su, Cheng-Yong; Li, Zhongshu","Büchner-type ring expansion of aromatic main-group biradicaloids toward phosphorus radical-derived NIR-II photothermal materials.","Chemical science","2025","16","40","18775","18782","10.1039/d5sc06158j","","","0.71073","MoKα","","0.1132","0.0992","","","0.2766","0.2879","","","","","","1.069","","","","has coordinates,has disorder","303659","2025-11-29","18:38:34",""
"1575657","13.0129","0.0001","24.5134","0.0001","24.1033","0.0001","90","","102.906","0.001","90","","7494.49","0.08","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C81 H94 Cl2 F4 N4 P2 -","- C81 H94 Cl2 F4 N4 P2 -","- C324 H376 Cl8 F16 N16 P8 -","4","1","","Liu, Shihua; Zheng, Shunlin; Lin, Jieli; Grützmacher, Hansjörg; Su, Cheng-Yong; Li, Zhongshu","Büchner-type ring expansion of aromatic main-group biradicaloids toward phosphorus radical-derived NIR-II photothermal materials.","Chemical science","2025","16","40","18775","18782","10.1039/d5sc06158j","","x-ray","1.54184","CuKα","","0.0615","0.0573","","","0.1605","0.1642","","","","","","1.031","","","","has coordinates,has disorder","303659","2025-11-29","18:38:34",""
"1575658","11.1708","0.0003","12.7473","0.0003","30.2636","0.0008","90","","90.188","0.002","90","","4309.44","0.19","295","","295","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C50 H50 N2 O10 -","- C50 H50 N2 O10 -","- C200 H200 N8 O40 -","4","1","","Gentilini, Emilie; Bouschon, Anaïs; Davenel, Vincent; Fontaine-Vive, Fabien; Fourquez, Jean-Marie; Michelet, Véronique","Silver- and gold-catalyzed divergent cascade cycloisomerization/[3 + 2] <i>versus</i> [2 + 2 + 1] cycloaddition towards a stereoselective access to heterohexacyclic derivatives.","Chemical science","2025","16","38","17611","17620","10.1039/d5sc05338b","","x-ray","0.71073","MoKα","","0.1266","0.0768","","","0.1938","0.2273","","","","","","1.034","","","","has coordinates,has disorder","302558","2025-10-06","08:05:35",""
"1575659","11.5471","0.0004","16.4155","0.0007","11.7506","0.0005","90","","105.849","0.004","90","","2142.67","0.15","295","","295","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H25 N O5 -","- C25 H25 N O5 -","- C100 H100 N4 O20 -","4","1","","Gentilini, Emilie; Bouschon, Anaïs; Davenel, Vincent; Fontaine-Vive, Fabien; Fourquez, Jean-Marie; Michelet, Véronique","Silver- and gold-catalyzed divergent cascade cycloisomerization/[3 + 2] <i>versus</i> [2 + 2 + 1] cycloaddition towards a stereoselective access to heterohexacyclic derivatives.","Chemical science","2025","16","38","17611","17620","10.1039/d5sc05338b","","x-ray","0.71073","MoKα","","0.0812","0.0618","","","0.1676","0.1849","","","","","","1.043","","","","has coordinates","302558","2025-10-06","08:05:35",""
"1575660","9.9369","0.0003","10.2194","0.0002","17.2209","0.0004","90.8586","0.0018","95.7957","0.0019","106.056","0.002","1670.28","0.07","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H36 B I5 N2 Si -","- C27 H36 B I5 N2 Si -","- C54 H72 B2 I10 N4 Si2 -","2","1","","Heller, Jan; Buch, Christoph D.; Virovets, Alexander V.; Peresypkina, Eugenia; Lerner, Hans-Wolfram; Fantuzzi, Felipe; Wagner, Matthias","Synthesis of perhalogenated silylboranes (X = Cl, I) and their application in regiodivergent alkene silaboration.","Chemical science","2025","16","43","20329","20343","10.1039/d5sc06234a","","","0.71073","MoKα","","0.0305","0.0297","","","0.083","0.0837","","","","","","1.048","","","","has coordinates","303611","2025-11-29","18:19:53",""
"1575661","16.2424","0.0002","21.4873","0.0003","14.3571","0.0002","90","","96.933","0.001","90","","4974.07","0.12","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 B I5 P Si -","- C18 H15 B I5 P Si -","- C144 H120 B8 I40 P8 Si8 -","8","2","","Heller, Jan; Buch, Christoph D.; Virovets, Alexander V.; Peresypkina, Eugenia; Lerner, Hans-Wolfram; Fantuzzi, Felipe; Wagner, Matthias","Synthesis of perhalogenated silylboranes (X = Cl, I) and their application in regiodivergent alkene silaboration.","Chemical science","2025","16","43","20329","20343","10.1039/d5sc06234a","","","0.71073","MoKα","","0.0367","0.0245","","","0.0507","0.0516","","","","","","0.795","","","","has coordinates","303611","2025-11-29","18:19:55",""
"1575662","10.3063","0.0007","13.1717","0.001","17.006","0.0013","102.565","0.006","106.946","0.006","96.664","0.006","2115.3","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H15 B Cl5 P Si -","- C18 H15 B Cl5 P Si -","- C72 H60 B4 Cl20 P4 Si4 -","4","2","","Heller, Jan; Buch, Christoph D.; Virovets, Alexander V.; Peresypkina, Eugenia; Lerner, Hans-Wolfram; Fantuzzi, Felipe; Wagner, Matthias","Synthesis of perhalogenated silylboranes (X = Cl, I) and their application in regiodivergent alkene silaboration.","Chemical science","2025","16","43","20329","20343","10.1039/d5sc06234a","","","0.71073","MoKα","","0.0693","0.047","","","0.1071","0.1198","","","","","","1.023","","","","has coordinates","303611","2025-11-29","18:19:56",""
"1575663","13.9353","0.0003","8.42736","0.00019","13.3513","0.0002","90","","90","","90","","1567.95","0.05","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C5 H5 B I5 N Si -","- C5 H5 B I5 N Si -","- C20 H20 B4 I20 N4 Si4 -","4","1","","Heller, Jan; Buch, Christoph D.; Virovets, Alexander V.; Peresypkina, Eugenia; Lerner, Hans-Wolfram; Fantuzzi, Felipe; Wagner, Matthias","Synthesis of perhalogenated silylboranes (X = Cl, I) and their application in regiodivergent alkene silaboration.","Chemical science","2025","16","43","20329","20343","10.1039/d5sc06234a","","","0.71073","MoKα","","0.0332","0.032","","","0.0774","0.0782","","","","","","1.038","","","","has coordinates,has disorder","303611","2025-11-29","18:19:56",""
"1575664","9.4185","0.0004","10.7141","0.0005","12.9896","0.0004","75.377","0.003","78.132","0.003","84.148","0.003","1239.48","0.09","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H15 B I5 P Si -","- C18 H15 B I5 P Si -","- C36 H30 B2 I10 P2 Si2 -","2","1","","Heller, Jan; Buch, Christoph D.; Virovets, Alexander V.; Peresypkina, Eugenia; Lerner, Hans-Wolfram; Fantuzzi, Felipe; Wagner, Matthias","Synthesis of perhalogenated silylboranes (X = Cl, I) and their application in regiodivergent alkene silaboration.","Chemical science","2025","16","43","20329","20343","10.1039/d5sc06234a","","","0.71073","MoKα","","0.0398","0.0359","","","0.0909","0.094","","","","","","1.037","","","","has coordinates","303611","2025-11-29","18:19:56",""
"1575665","8.79053","0.00014","14.6868","0.0002","24.6134","0.0004","90","","90","","90","","3177.71","0.08","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H10 B I5 Si -","- C6 H10 B I5 Si -","- C48 H80 B8 I40 Si8 -","8","1","","Heller, Jan; Buch, Christoph D.; Virovets, Alexander V.; Peresypkina, Eugenia; Lerner, Hans-Wolfram; Fantuzzi, Felipe; Wagner, Matthias","Synthesis of perhalogenated silylboranes (X = Cl, I) and their application in regiodivergent alkene silaboration.","Chemical science","2025","16","43","20329","20343","10.1039/d5sc06234a","","","0.71073","MoKα","","0.0276","0.0253","","","0.0606","0.0616","","","","","","1.099","","","","has coordinates","303611","2025-11-29","18:19:56",""
"1575666","7.1191","0.0003","16.0988","0.0007","9.7847","0.0003","90","","95.647","0.003","90","","1115.97","0.08","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C2 H6 B Cl5 S Si -","- C2 H6 B Cl5 S Si -","- C8 H24 B4 Cl20 S4 Si4 -","4","1","","Heller, Jan; Buch, Christoph D.; Virovets, Alexander V.; Peresypkina, Eugenia; Lerner, Hans-Wolfram; Fantuzzi, Felipe; Wagner, Matthias","Synthesis of perhalogenated silylboranes (X = Cl, I) and their application in regiodivergent alkene silaboration.","Chemical science","2025","16","43","20329","20343","10.1039/d5sc06234a","","","0.71073","MoKα","","0.0383","0.0319","","","0.0779","0.0819","","","","","","1.048","","","","has coordinates","303611","2025-11-29","18:19:56",""
"1575667","8.53823","0.00016","9.89175","0.00018","13.7811","0.0003","90","","97.3526","0.0019","90","","1154.35","0.04","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C5 H5 B Cl5 N Si -","- C5 H5 B Cl5 N Si -","- C20 H20 B4 Cl20 N4 Si4 -","4","1","","Heller, Jan; Buch, Christoph D.; Virovets, Alexander V.; Peresypkina, Eugenia; Lerner, Hans-Wolfram; Fantuzzi, Felipe; Wagner, Matthias","Synthesis of perhalogenated silylboranes (X = Cl, I) and their application in regiodivergent alkene silaboration.","Chemical science","2025","16","43","20329","20343","10.1039/d5sc06234a","","","0.71073","MoKα","","0.0307","0.0285","","","0.0752","0.0772","","","","","","1.051","","","","has coordinates","303611","2025-11-29","18:19:56",""
"1575668","7.6585","0.0004","14.3673","0.0006","12.0598","0.0007","90","","107.507","0.006","90","","1265.5","0.12","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- B2 I12 Si3 -","- B2 I12 Si3 -","- B4 I24 Si6 -","2","1","","Heller, Jan; Buch, Christoph D.; Virovets, Alexander V.; Peresypkina, Eugenia; Lerner, Hans-Wolfram; Fantuzzi, Felipe; Wagner, Matthias","Synthesis of perhalogenated silylboranes (X = Cl, I) and their application in regiodivergent alkene silaboration.","Chemical science","2025","16","43","20329","20343","10.1039/d5sc06234a","","","0.71073","MoKα","","0.0501","0.0378","","","0.0746","0.0796","","","","","","1.02","","","","has coordinates,has disorder","303611","2025-11-29","18:19:56",""
"1575669","8.438","0.00017","26.5897","0.0005","12.7476","0.0003","90","","96.835","0.002","90","","2839.77","0.1","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C2 H6 B I5 S Si -","- C2 H6 B I5 S Si -","- C16 H48 B8 I40 S8 Si8 -","8","2","","Heller, Jan; Buch, Christoph D.; Virovets, Alexander V.; Peresypkina, Eugenia; Lerner, Hans-Wolfram; Fantuzzi, Felipe; Wagner, Matthias","Synthesis of perhalogenated silylboranes (X = Cl, I) and their application in regiodivergent alkene silaboration.","Chemical science","2025","16","43","20329","20343","10.1039/d5sc06234a","","","0.71073","MoKα","","0.0388","0.0336","","","0.0901","0.0944","","","","","","1.05","","","","has coordinates","303611","2025-11-29","18:19:56",""
"1575670","14.68163","0.00019","14.68163","0.00019","15.7976","0.0003","90","","90","","120","","2948.97","0.08","173","2","173","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C18 H15 B I3 P -","- C18 H15 B I3 P -","- C108 H90 B6 I18 P6 -","6","0.333333","","Heller, Jan; Buch, Christoph D.; Virovets, Alexander V.; Peresypkina, Eugenia; Lerner, Hans-Wolfram; Fantuzzi, Felipe; Wagner, Matthias","Synthesis of perhalogenated silylboranes (X = Cl, I) and their application in regiodivergent alkene silaboration.","Chemical science","2025","16","43","20329","20343","10.1039/d5sc06234a","","","0.71073","MoKα","","0.0184","0.0172","","","0.0434","0.0439","","","","","","1.093","","","","has coordinates","303611","2025-11-29","18:19:56",""
"1575671","16.819","0.0009","12.8372","0.0005","16.3668","0.0007","90","","118.691","0.006","90","","3099.9","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H36 B I3 N2 -","- C27 H36 B I3 N2 -","- C108 H144 B4 I12 N8 -","4","1","","Heller, Jan; Buch, Christoph D.; Virovets, Alexander V.; Peresypkina, Eugenia; Lerner, Hans-Wolfram; Fantuzzi, Felipe; Wagner, Matthias","Synthesis of perhalogenated silylboranes (X = Cl, I) and their application in regiodivergent alkene silaboration.","Chemical science","2025","16","43","20329","20343","10.1039/d5sc06234a","","","0.71073","MoKα","","0.044","0.0394","","","0.0904","0.0923","","","","","","1.182","","","","has coordinates","303611","2025-11-29","18:19:56",""
"1575672","12.877","0.0009","9.8069","0.0006","13.5196","0.001","90","","102.896","0.007","90","","1664.2","0.2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 B Cl5 S Si -","- C10 H12 B Cl5 S Si -","- C40 H48 B4 Cl20 S4 Si4 -","4","1","","Heller, Jan; Buch, Christoph D.; Virovets, Alexander V.; Peresypkina, Eugenia; Lerner, Hans-Wolfram; Fantuzzi, Felipe; Wagner, Matthias","Synthesis of perhalogenated silylboranes (X = Cl, I) and their application in regiodivergent alkene silaboration.","Chemical science","2025","16","43","20329","20343","10.1039/d5sc06234a","","","0.71073","MoKα","","0.0688","0.0366","","","0.0647","0.0682","","","","","","0.718","","","","has coordinates,has disorder","303611","2025-11-29","18:19:57",""
"1575673","6.88451","0.00012","10.11785","0.00018","24.8575","0.0004","90","","96.7665","0.0017","90","","1719.42","0.05","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C7 H9 B I5 N Si -","- C7 H9 B I5 N Si -","- C28 H36 B4 I20 N4 Si4 -","4","1","","Heller, Jan; Buch, Christoph D.; Virovets, Alexander V.; Peresypkina, Eugenia; Lerner, Hans-Wolfram; Fantuzzi, Felipe; Wagner, Matthias","Synthesis of perhalogenated silylboranes (X = Cl, I) and their application in regiodivergent alkene silaboration.","Chemical science","2025","16","43","20329","20343","10.1039/d5sc06234a","","","0.71073","MoKα","","0.025","0.0231","","","0.0573","0.0586","","","","","","1.116","","","","has coordinates","303611","2025-11-29","18:19:57",""
"1575674","7.2014","0.0004","10.4366","0.0005","10.9255","0.0005","90","","91.266","0.005","90","","820.94","0.07","173","2","173","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C4 H10 B I5 S Si -","- C4 H10 B I5 S Si -","- C8 H20 B2 I10 S2 Si2 -","2","1","","Heller, Jan; Buch, Christoph D.; Virovets, Alexander V.; Peresypkina, Eugenia; Lerner, Hans-Wolfram; Fantuzzi, Felipe; Wagner, Matthias","Synthesis of perhalogenated silylboranes (X = Cl, I) and their application in regiodivergent alkene silaboration.","Chemical science","2025","16","43","20329","20343","10.1039/d5sc06234a","","","0.71073","MoKα","","0.0559","0.0427","","","0.1199","0.1325","","","","","","1.056","","","","has coordinates","303611","2025-11-29","18:19:57",""
"1575675","7.2744","0.0004","8.7817","0.0004","8.9556","0.0005","85.843","0.004","85.31","0.004","85.904","0.004","567.45","0.05","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C4 H10 B I3 S -","- C4 H10 B I3 S -","- C8 H20 B2 I6 S2 -","2","1","","Heller, Jan; Buch, Christoph D.; Virovets, Alexander V.; Peresypkina, Eugenia; Lerner, Hans-Wolfram; Fantuzzi, Felipe; Wagner, Matthias","Synthesis of perhalogenated silylboranes (X = Cl, I) and their application in regiodivergent alkene silaboration.","Chemical science","2025","16","43","20329","20343","10.1039/d5sc06234a","","","0.71073","MoKα","","0.0248","0.0241","","","0.0627","0.0636","","","","","","1.089","","","","has coordinates","303611","2025-11-29","18:19:57",""
"1575676","17.5229","0.0002","17.5229","0.0002","26.2872","0.0005","90","","90","","120","","6990.16","0.17","173","2","173","2","","","","","","","","6","P 32","P 32","145","","","","- C27 H36 B Cl5 N2 Si -","- C27 H36 B Cl5 N2 Si -","- C243 H324 B9 Cl45 N18 Si9 -","9","3","","Heller, Jan; Buch, Christoph D.; Virovets, Alexander V.; Peresypkina, Eugenia; Lerner, Hans-Wolfram; Fantuzzi, Felipe; Wagner, Matthias","Synthesis of perhalogenated silylboranes (X = Cl, I) and their application in regiodivergent alkene silaboration.","Chemical science","2025","16","43","20329","20343","10.1039/d5sc06234a","","","0.71073","MoKα","","0.0423","0.036","","","0.0802","0.0837","","","","","","1.03","","","","has coordinates","303611","2025-11-29","18:19:57",""
"1575677","15.8306","0.0004","7.30808","0.00016","13.7822","0.0004","90","","90","","90","","1594.48","0.07","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C6 H10 B I5 Si -","- C6 H10 B I5 Si -","- C24 H40 B4 I20 Si4 -","4","1","","Heller, Jan; Buch, Christoph D.; Virovets, Alexander V.; Peresypkina, Eugenia; Lerner, Hans-Wolfram; Fantuzzi, Felipe; Wagner, Matthias","Synthesis of perhalogenated silylboranes (X = Cl, I) and their application in regiodivergent alkene silaboration.","Chemical science","2025","16","43","20329","20343","10.1039/d5sc06234a","","","0.71073","MoKα","","0.0265","0.0254","","","0.0564","0.0569","","","","","","1.066","","","","has coordinates","303611","2025-11-29","18:19:58",""
"1575678","8.41865","0.00016","13.8073","0.0003","12.3034","0.0002","90","","91.499","0.0018","90","","1429.64","0.05","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C2 H6 B I5 S Si -","- C2 H6 B I5 S Si -","- C8 H24 B4 I20 S4 Si4 -","4","1","","Heller, Jan; Buch, Christoph D.; Virovets, Alexander V.; Peresypkina, Eugenia; Lerner, Hans-Wolfram; Fantuzzi, Felipe; Wagner, Matthias","Synthesis of perhalogenated silylboranes (X = Cl, I) and their application in regiodivergent alkene silaboration.","Chemical science","2025","16","43","20329","20343","10.1039/d5sc06234a","","","0.71073","MoKα","","0.0352","0.0329","","","0.0836","0.0851","","","","","","1.086","","","","has coordinates","303611","2025-11-29","18:19:59",""
"1575679","12.2698","0.0004","12.935","0.0005","13.0533","0.0005","90","","90","","90","","2071.69","0.13","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C8 H20 B Cl0.97 I5.03 N Si -","- C8 H20 B Cl0.9725 I5.0275 N Si -","- C32 H80 B4 Cl3.89 I20.11 N4 Si4 -","4","1","","Heller, Jan; Buch, Christoph D.; Virovets, Alexander V.; Peresypkina, Eugenia; Lerner, Hans-Wolfram; Fantuzzi, Felipe; Wagner, Matthias","Synthesis of perhalogenated silylboranes (X = Cl, I) and their application in regiodivergent alkene silaboration.","Chemical science","2025","16","43","20329","20343","10.1039/d5sc06234a","","","0.71073","MoKα","","0.0326","0.0305","","","0.0722","0.0741","","","","","","1.046","","","","has coordinates","303611","2025-11-29","18:20:00",""
"1575680","11.4943","0.0004","12.1239","0.0004","12.3124","0.0005","90","","90","","90","","1715.8","0.11","173","2","173","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C8 H20 B Cl6 N Si -","- C8 H20 B Cl6 N Si -","- C32 H80 B4 Cl24 N4 Si4 -","4","0.5","","Heller, Jan; Buch, Christoph D.; Virovets, Alexander V.; Peresypkina, Eugenia; Lerner, Hans-Wolfram; Fantuzzi, Felipe; Wagner, Matthias","Synthesis of perhalogenated silylboranes (X = Cl, I) and their application in regiodivergent alkene silaboration.","Chemical science","2025","16","43","20329","20343","10.1039/d5sc06234a","","","0.71073","MoKα","","0.0371","0.0286","","","0.0692","0.0742","","","","","","1.059","","","","has coordinates","303611","2025-11-29","18:20:01",""
"1575694","23.9328","0.001","7.6621","0.0003","19.9111","0.0008","90","","90","","90","","3651.2","0.3","123","2","123","2","","","","","","","","2","C m c 21","C 2c -2","36","","","","- C24 H24 -","- C24 H24 -","- C192 H192 -","8","1","","Kato, Tomoki; Imoto, Daiki; Yagi, Akiko; Itami, Kenichiro","Making non-emissive [6]cycloparaphenylene fluorescent by simple multiple methyl substitution.","Chemical science","2025","16","40","18952","18958","10.1039/d5sc04694g","","x-ray","0.71073","MoKα","","0.0418","0.0395","","","0.1055","0.107","","","","","","1.056","","","","has coordinates","303657","2025-11-29","18:36:55",""
"1575695","23.0613","0.0011","40.0796","0.0019","47.019","0.003","107.602","0.003","97.397","0.003","90.05","0.003","41043","4","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C600 H180 Ag71 Au74 Cl18 F360 -","- C600 H180 Ag71 Au74 Cl18 F360 -","- C1200 H360 Ag142 Au148 Cl36 F720 -","2","1","","Gu, Yuming; Gu, Yating; Yang, Maochen; Tang, Shisi; Chen, Jiawei; Liang, Xinyi; Zheng, Dong; Li, Zekun; Song, Fengqi; Gao, Yang; Zhu, Yan; Shi, Yinghuan; Ma, Jing","High-throughput design of bimetallic materials <i>via</i> multimodal machine learning and the accessibility index.","Chemical science","2025","16","42","19644","19657","10.1039/d5sc04386g","","x-ray","1.54178","CuKα","","0.1882","0.1375","","","0.3209","0.3418","","","","","","1.478","","","","has coordinates","303632","2025-11-29","18:28:08",""
"1575696","22.774","0.003","18.278","0.003","34.488","0.004","90","","95.28","0.004","90","","14295","3","193","","193","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C144 H120 Au10.03 Cl2 P8 Rh0.97 -","- C144 H120 Au10.03 Cl2 P8 Rh0.97 -","- C576 H480 Au40.12 Cl8 P32 Rh3.88 -","4","1","","Gu, Yuming; Gu, Yating; Yang, Maochen; Tang, Shisi; Chen, Jiawei; Liang, Xinyi; Zheng, Dong; Li, Zekun; Song, Fengqi; Gao, Yang; Zhu, Yan; Shi, Yinghuan; Ma, Jing","High-throughput design of bimetallic materials <i>via</i> multimodal machine learning and the accessibility index.","Chemical science","2025","16","42","19644","19657","10.1039/d5sc04386g","","","0.71073","MoKα","","0.0602","0.0415","","","0.0965","0.1044","","","","","","0.996","","","","has coordinates,has disorder","303632","2025-11-29","18:28:08",""
"1575697","9.232","0.0007","9.3771","0.0006","23.9503","0.0017","90","","90","","90","","2073.4","0.3","297","2","297","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H18 N2 O S -","- C26 H18 N2 O S -","- C104 H72 N8 O4 S4 -","4","1","","Koner, Mainak; Ballav, Nityananda; Varma, Anirudh J.; Ghosh, Suman; Mondal, Tuhin; Kuniyil, Rositha; Baidya, Mahiuddin","Multifaceted photocatalysis enables cobalt catalyzed enantioselective C-H activation and APEX reaction for C-N axially chiral molecules.","Chemical science","2025","16","41","19296","19303","10.1039/d5sc05287d","","","0.71073","MoKα","","0.0422","0.0396","","","0.1087","0.111","","","","","","1.097","","","","has coordinates","303603","2025-11-29","18:16:29",""
"1575698","6.1608","0.0015","13.731","0.003","17.545","0.004","90.119","0.008","90.084","0.01","94.565","0.009","1479.5","0.6","273.15","","273.15","","","","","","","","","6","P -1","-P 1","2","","hq","","- C26 H34 B2 Br2 N6 O2 -","- C26 H34 B2 Br2 N6 O2 -","- C52 H68 B4 Br4 N12 O4 -","2","1","","Huang, Qiang; Li, Na; Zhang, Panke; Li, Hongji","Photoinduced boryl-oximation of alkenes <i>via</i> NHC-boryl radical generation.","Chemical science","2025","16","41","19263","19270","10.1039/d5sc03708e","","","0.71073","MoKα","","0.0474","0.0354","","","0.0822","0.0881","","","","","","1.024","","","","has coordinates","303605","2025-11-29","18:17:03",""
"1575726","7.6538","0.0003","8.5766","0.0004","9.757","0.0004","107.303","0.002","93.087","0.002","110.668","0.002","563.03","0.04","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H9 N2 O4 Re -","- C10 H9 N2 O4 Re -","- C20 H18 N4 O8 Re2 -","2","1","","Semyonov, Oleg; Antonkin, Nikita S.; Radzhabov, Amirbek D.; Pizzi, Andrea; Lo Iacono, Cristina; Guselnikova, Olga; Burguera, Sergi; Frontera, Antonio; Resnati, Giuseppe; Postnikov, Pavel S.","Matere bond identification in non-crystalline materials by using X-ray photoelectron spectroscopy.","Chemical science","2025","16","40","18928","18935","10.1039/d5sc04587h","","","0.71073","MoKα","","0.0224","0.0203","","","0.0511","0.0522","","","","","","1.062","","","","has coordinates","303653","2025-11-29","18:35:37",""
"1575727","12.9973","0.0014","14.0051","0.0016","4.881","0.0005","90","","90","","90","","888.48","0.17","296","2","296","2","","","","","","","","5","P m m n :2","-P 2ab 2a","59","","","","- C13 H16 N2 O8 Re2 -","- C13 H16 N2 O8 Re2 -","- C26 H32 N4 O16 Re4 -","2","0.25","","Semyonov, Oleg; Antonkin, Nikita S.; Radzhabov, Amirbek D.; Pizzi, Andrea; Lo Iacono, Cristina; Guselnikova, Olga; Burguera, Sergi; Frontera, Antonio; Resnati, Giuseppe; Postnikov, Pavel S.","Matere bond identification in non-crystalline materials by using X-ray photoelectron spectroscopy.","Chemical science","2025","16","40","18928","18935","10.1039/d5sc04587h","","","0.71073","MoKα","","0.0438","0.034","","","0.0918","0.101","","","","","","1.012","","","","has coordinates","303653","2025-11-29","18:35:50",""
"1575728","5.3101","0.0013","8.97","0.002","19.831","0.005","90","","91.42","0.01","90","","944.3","0.4","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C5 H5 I N O4 Re -","- C5 H5 I N O4 Re -","- C20 H20 I4 N4 O16 Re4 -","4","1","","Semyonov, Oleg; Antonkin, Nikita S.; Radzhabov, Amirbek D.; Pizzi, Andrea; Lo Iacono, Cristina; Guselnikova, Olga; Burguera, Sergi; Frontera, Antonio; Resnati, Giuseppe; Postnikov, Pavel S.","Matere bond identification in non-crystalline materials by using X-ray photoelectron spectroscopy.","Chemical science","2025","16","40","18928","18935","10.1039/d5sc04587h","","","0.71073","MoKα","","0.0479","0.0261","","","0.0717","0.108","","","","","","1.024","","","","has coordinates","303653","2025-11-29","18:35:50",""
"1575729","7.8636","0.001","7.4532","0.001","26.182","0.003","90","","90","","90","","1534.5","0.3","173","","173","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C14 H12 N2 O4 Se2 -","- C14 H12 N2 O4 Se2 -","- C56 H48 N8 O16 Se8 -","4","0.5","","Roy, Biswajit; Das, Eshani; Shieh, Meg; Ogata, Seiryo; Jung, Minkyung; Fujita, Hiroaki; Zhang, Sen; Robinson, Jerome R.; Akaike, Takaaki; Xian, Ming","Light responsive hydrogen selenide (H<sub>2</sub>Se)/hydrogen diselenide (H<sub>2</sub>Se<sub>2</sub>) donors: applied for protein <i>S</i>-selenylation on PRDX6.","Chemical science","2025","16","41","19178","19186","10.1039/d5sc05141j","","","0.71073","MoKα","","0.0671","0.0585","","","0.1481","0.1522","","","","","","1.286","","","","has coordinates","303608","2025-11-29","18:18:15",""
"1575730","23.838","0.004","4.4908","0.0007","13.269","0.002","90","","90","","90","","1420.5","0.4","173","","173","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C14 H12 N2 O4 Se -","- C14 H12 N2 O4 Se -","- C56 H48 N8 O16 Se4 -","4","1","","Roy, Biswajit; Das, Eshani; Shieh, Meg; Ogata, Seiryo; Jung, Minkyung; Fujita, Hiroaki; Zhang, Sen; Robinson, Jerome R.; Akaike, Takaaki; Xian, Ming","Light responsive hydrogen selenide (H<sub>2</sub>Se)/hydrogen diselenide (H<sub>2</sub>Se<sub>2</sub>) donors: applied for protein <i>S</i>-selenylation on PRDX6.","Chemical science","2025","16","41","19178","19186","10.1039/d5sc05141j","","","0.71073","MoKα","","0.0369","0.0299","","","0.0684","0.0714","","","","","","1.081","","","","has coordinates,has disorder","303608","2025-11-29","18:18:17",""
"1575731","28.028","0.005","6.0222","0.0012","15.257","0.003","90","","107.449","0.006","90","","2456.7","0.8","173","","173","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C30 H30 O4 Se -","- C30 H30 O4 Se -","- C120 H120 O16 Se4 -","4","0.5","","Roy, Biswajit; Das, Eshani; Shieh, Meg; Ogata, Seiryo; Jung, Minkyung; Fujita, Hiroaki; Zhang, Sen; Robinson, Jerome R.; Akaike, Takaaki; Xian, Ming","Light responsive hydrogen selenide (H<sub>2</sub>Se)/hydrogen diselenide (H<sub>2</sub>Se<sub>2</sub>) donors: applied for protein <i>S</i>-selenylation on PRDX6.","Chemical science","2025","16","41","19178","19186","10.1039/d5sc05141j","","","0.71073","MoKα","","0.0942","0.0883","","","0.2316","0.2341","","","","","","1.267","","","","has coordinates","303608","2025-11-29","18:18:28",""
"1575732","16.8219","0.0015","31.443","0.003","33.812","0.003","90","","98.172","0.002","90","","17703","3","193","","193","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Au10(DPPF)4PPh3","","- C162 H143 Au10 Cl17 Fe4 P9 -","- C155 H129 Au10 Cl3 Fe4 P9 -","- C620 H516 Au40 Cl12 Fe16 P36 -","4","1","","Li, Guangjun; Li, Guoao; Liang, Xinyi; Tian, Yiqi; Lu, Jinzhi; Xu, Xinyi; Liu, Xu; Ma, Jing; Li, Shuhua; Zhu, Yan","An atomically precise Au<sub>10</sub>(DPPF)<sub>4</sub>PPh<sub>3</sub> cluster catalyst for N-hydroformylation of amines.","Chemical science","2025","16","40","18642","18651","10.1039/d5sc06255a","","","0.71073","MoKα","","0.0963","0.0621","","","0.1354","0.1526","","","","","","1.03","","","","has coordinates","303654","2025-11-29","18:36:07",""
"1575733","9.3425","0.0001","12.0825","0.0002","12.1874","0.0002","109.651","0.001","99.347","0.001","100.868","0.001","1233.85","0.03","297.12","0.1","297.12","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C52.67 H45 Cu2 I2 N2 O0.67 P2 -","- C52.6666 H44.6664 Cu2 I2 N2 O0.6666 P2 -","- C52.6666 H44.6664 Cu2 I2 N2 O0.6666 P2 -","1","0.5","","Zhang, Hong-Jin; Chen, Zong-Ren; Chen, Wan-Tao; Ye, Jia-Wen; Chen, Ling","Tailoring luminescent oxygen sensitivity <i>via</i> structural design and its application in pressure-induced emission enhancement.","Chemical science","2025","16","40","18799","18805","10.1039/d5sc05999b","","x-ray","1.54184","CuKα","","0.0319","0.0308","","","0.0836","0.0845","","","","","","1.078","","","","has coordinates","303655","2025-11-29","18:36:19",""
"1575734","9.2949","0.0003","11.8875","0.0005","11.9565","0.0004","108.23","0.003","100.23","0.003","100.811","0.003","1192.35","0.08","296.93","0.1","296.93","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C52 H42 Br2 Cu2 N2 P2 -","- C52 H42 Br2 Cu2 N2 P2 -","- C52 H42 Br2 Cu2 N2 P2 -","1","0.5","","Zhang, Hong-Jin; Chen, Zong-Ren; Chen, Wan-Tao; Ye, Jia-Wen; Chen, Ling","Tailoring luminescent oxygen sensitivity <i>via</i> structural design and its application in pressure-induced emission enhancement.","Chemical science","2025","16","40","18799","18805","10.1039/d5sc05999b","","x-ray","1.54184","CuKα","","0.0358","0.033","","","0.0955","0.0973","","","","","","1.052","","","","has coordinates","303655","2025-11-29","18:36:19",""
"1575735","9.2912","0.0002","11.7601","0.0002","11.7999","0.0002","107.136","0.002","100.739","0.001","100.697","0.002","1170.11","0.04","297.38","0.1","297.38","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C52 H42 Cl2 Cu2 N2 P2 -","- C52 H42 Cl2 Cu2 N2 P2 -","- C52 H42 Cl2 Cu2 N2 P2 -","1","0.5","","Zhang, Hong-Jin; Chen, Zong-Ren; Chen, Wan-Tao; Ye, Jia-Wen; Chen, Ling","Tailoring luminescent oxygen sensitivity <i>via</i> structural design and its application in pressure-induced emission enhancement.","Chemical science","2025","16","40","18799","18805","10.1039/d5sc05999b","","x-ray","1.54184","CuKα","","0.0335","0.0324","","","0.0992","0.1003","","","","","","1.059","","","","has coordinates","303655","2025-11-29","18:36:19",""
"1575736","9.3779","0.0001","12.037","0.0002","12.1052","0.0002","108.854","0.002","99.325","0.001","101.378","0.001","1229.61","0.04","293.8","0.2","293.8","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H42 Cu2 I2 N2 P2 -","- C52 H42 Cu2 I2 N2 P2 -","- C52 H42 Cu2 I2 N2 P2 -","1","0.5","","Zhang, Hong-Jin; Chen, Zong-Ren; Chen, Wan-Tao; Ye, Jia-Wen; Chen, Ling","Tailoring luminescent oxygen sensitivity <i>via</i> structural design and its application in pressure-induced emission enhancement.","Chemical science","2025","16","40","18799","18805","10.1039/d5sc05999b","","x-ray","1.54184","CuKα","","0.0245","0.0218","","","0.0499","0.0508","","","","","","1.04","","","","has coordinates","303655","2025-11-29","18:36:19",""
"1575737","9.2424","0.0001","11.8969","0.0002","11.9954","0.0002","108.728","0.001","100.85","0.001","100.625","0.001","1183.54","0.03","296.9","0.2","296.9","0.2","","","","","","","","7","P -1","-P 1","2","","","","- C52.67 H44.67 Cl2 Cu2 N2 O0.67 P2 -","- C52.6666 H44.6664 Cl2 Cu2 N2 O0.6666 P2 -","- C52.6666 H44.6664 Cl2 Cu2 N2 O0.6666 P2 -","1","0.5","","Zhang, Hong-Jin; Chen, Zong-Ren; Chen, Wan-Tao; Ye, Jia-Wen; Chen, Ling","Tailoring luminescent oxygen sensitivity <i>via</i> structural design and its application in pressure-induced emission enhancement.","Chemical science","2025","16","40","18799","18805","10.1039/d5sc05999b","","x-ray","1.54184","CuKα","","0.0384","0.0356","","","0.1099","0.1128","","","","","","1.086","","","","has coordinates","303655","2025-11-29","18:36:19",""
"1575738","9.2653","0.0003","12.0008","0.0004","12.0094","0.0004","109.053","0.003","100.228","0.003","100.638","0.003","1199.15","0.08","294.5","0.3","294.5","0.3","","","","","","","","7","P -1","-P 1","2","","","","- C52.67 H44.67 Br2 Cu2 N2 O0.67 P2 -","- C52.6666 H44.6664 Br2 Cu2 N2 O0.6666 P2 -","- C52.6666 H44.6664 Br2 Cu2 N2 O0.6666 P2 -","1","0.5","","Zhang, Hong-Jin; Chen, Zong-Ren; Chen, Wan-Tao; Ye, Jia-Wen; Chen, Ling","Tailoring luminescent oxygen sensitivity <i>via</i> structural design and its application in pressure-induced emission enhancement.","Chemical science","2025","16","40","18799","18805","10.1039/d5sc05999b","","x-ray","1.54184","CuKα","","0.035","0.0312","","","0.0929","0.0961","","","","","","1.035","","","","has coordinates","303655","2025-11-29","18:36:19",""
"1575739","10.87","0.003","8.037","0.003","14.993","0.004","90","","104.871","0.01","90","","1266","0.7","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C21 H38 Cl Ir N4 O P2 -","- C21 H38 Cl Ir N4 O P2 -","- C42 H76 Cl2 Ir2 N8 O2 P4 -","2","0.5","","Abdolrahimi, Amin; Woite, Philipp; Kretschmar, Konrad; Roemelt, Michael; Braun, Thomas; He, Ouchan","Sequential one-pot <i>N</i>-alkylation and aminocarbonylation of primary amines catalyzed by heterobimetallic Ir/Pd complexes.","Chemical science","2025","16","41","19414","19422","10.1039/d5sc03892h","","","0.71073","MoKα","","0.0131","0.0125","","","0.0307","0.031","","","","","","1.101","","","","has coordinates,has disorder","303610","2025-11-29","18:19:00",""
"1575740","8.7278","0.0008","10.1403","0.0008","20.1959","0.0017","104.039","0.003","92.766","0.003","92.412","0.003","1729.3","0.3","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C23 H46 Cl3 Ir N4 O3 P2 Pd S2 -","- C23 H46 Cl3 Ir N4 O3 P2 Pd S2 -","- C46 H92 Cl6 Ir2 N8 O6 P4 Pd2 S4 -","2","1","","Abdolrahimi, Amin; Woite, Philipp; Kretschmar, Konrad; Roemelt, Michael; Braun, Thomas; He, Ouchan","Sequential one-pot <i>N</i>-alkylation and aminocarbonylation of primary amines catalyzed by heterobimetallic Ir/Pd complexes.","Chemical science","2025","16","41","19414","19422","10.1039/d5sc03892h","","","0.71073","MoKα","","0.0172","0.0165","","","0.0408","0.0412","","","","","","1.054","","","","has coordinates,has disorder","303610","2025-11-29","18:19:01",""
"1575741","17.4799","0.0009","16.3925","0.0009","21.6284","0.0013","90","","90","","90","","6197.4","0.6","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C34.93 H30 Cl1.07 Ir N2 O0.93 P2 -","- C34.933 H30 Cl1.067 Ir N2 O0.933 P2 -","- C279.464 H240 Cl8.536 Ir8 N16 O7.464 P16 -","8","1","","Abdolrahimi, Amin; Woite, Philipp; Kretschmar, Konrad; Roemelt, Michael; Braun, Thomas; He, Ouchan","Sequential one-pot <i>N</i>-alkylation and aminocarbonylation of primary amines catalyzed by heterobimetallic Ir/Pd complexes.","Chemical science","2025","16","41","19414","19422","10.1039/d5sc03892h","","","0.71073","MoKα","","0.051","0.0316","","","0.0657","0.0756","","","","","","1.028","","","","has coordinates,has disorder","303610","2025-11-29","18:19:02",""
"1575776","19.4243","0.0008","19.4243","0.0008","11.5952","0.0006","90","","90","","120","","3788.8","0.3","293.1","0.2","293.1","0.2","","","","","","","","5","P -6 m 2","P -6 2","187","","","","- C71 H44 Fe3 N6 O13 -","- C71 H44 Fe3 N6 O13 -","- C71 H44 Fe3 N6 O13 -","1","0.0833333","","Liang, Gang; Chen, De-Jian; Long, Zhu-Jun; Zhuo, Hao; Zhong, Xiao-Feng; Chen, Xiong-Hai; Shao, Huai-Yu; Mo, Zong-Wen; Chen, Xiao-Ming","Efficient capture of trace benzene vapor by metal-organic frameworks modified with macrocyclic pyridyl ligands.","Chemical science","2025","16","42","19867","19875","10.1039/d5sc05093f","","x-ray","1.54184","CuKα","","0.1554","0.0946","","","0.2693","0.333","","","","","","1.05","","","","has coordinates,has disorder","303635","2025-11-29","18:29:12",""
"1575777","19.5213","0.0006","19.5213","0.0006","11.4015","0.0006","90","","90","","120","","3762.8","0.3","293","2","293","2","","","","","","","","5","P -6 m 2","P -6 2","187","","","","- C71.36 H36.03 Fe3 N4 O15 -","- C71.3589 H36.026 Fe3 N3.9981 O14.9998 -","- C71.3589 H36.026 Fe3 N3.9981 O14.9998 -","1","0.0833333","","Liang, Gang; Chen, De-Jian; Long, Zhu-Jun; Zhuo, Hao; Zhong, Xiao-Feng; Chen, Xiong-Hai; Shao, Huai-Yu; Mo, Zong-Wen; Chen, Xiao-Ming","Efficient capture of trace benzene vapor by metal-organic frameworks modified with macrocyclic pyridyl ligands.","Chemical science","2025","16","42","19867","19875","10.1039/d5sc05093f","","x-ray","1.54184","CuKα","","0.0911","0.0734","","","0.2085","0.2275","","","","","","1.002","","","","has coordinates,has disorder","303635","2025-11-29","18:29:24",""
"1575778","19.5208","0.0007","19.5208","0.0007","11.499","0.0007","90","","90","","120","","3794.8","0.3","293","2","293","2","","","","","","","","5","P -6 m 2","P -6 2","187","","","","- C74.49 H40 Fe3 N2 O13 -","- C74.493 H39.9998 Fe3 N2.0001 O13 -","- C74.493 H39.9998 Fe3 N2.0001 O13 -","1","0.0833333","","Liang, Gang; Chen, De-Jian; Long, Zhu-Jun; Zhuo, Hao; Zhong, Xiao-Feng; Chen, Xiong-Hai; Shao, Huai-Yu; Mo, Zong-Wen; Chen, Xiao-Ming","Efficient capture of trace benzene vapor by metal-organic frameworks modified with macrocyclic pyridyl ligands.","Chemical science","2025","16","42","19867","19875","10.1039/d5sc05093f","","x-ray","1.54184","CuKα","","0.0847","0.0761","","","0.2116","0.2216","","","","","","1.026","","","","has coordinates,has disorder","303635","2025-11-29","18:29:25",""
"1575779","19.7696","0.0007","19.7696","0.0007","11.1567","0.0004","90","","90","","120","","3776.3","0.2","293","2","293","2","","","","","","","","5","P -6 m 2","P -6 2","187","","","","- C89 H48 Fe3 N3 O13 -","- C89 H48 Fe3 N3 O13 -","- C89 H48 Fe3 N3 O13 -","1","0.0833333","","Liang, Gang; Chen, De-Jian; Long, Zhu-Jun; Zhuo, Hao; Zhong, Xiao-Feng; Chen, Xiong-Hai; Shao, Huai-Yu; Mo, Zong-Wen; Chen, Xiao-Ming","Efficient capture of trace benzene vapor by metal-organic frameworks modified with macrocyclic pyridyl ligands.","Chemical science","2025","16","42","19867","19875","10.1039/d5sc05093f","","x-ray","1.54184","CuKα","","0.0823","0.0738","","","0.2325","0.2428","","","","","","1.133","","","","has coordinates,has disorder","303635","2025-11-29","18:29:26",""
"1575780","19.4911","0.0012","19.4911","0.0012","11.4691","0.0011","90","","90","","120","","3773.4","0.5","293","2","293","2","","","","","","","","5","P -6 m 2","P -6 2","187","","","","- C77 H41 Fe3 N3 O16 -","- C77 H41 Fe3 N3 O16 -","- C77 H41 Fe3 N3 O16 -","1","0.0833333","","Liang, Gang; Chen, De-Jian; Long, Zhu-Jun; Zhuo, Hao; Zhong, Xiao-Feng; Chen, Xiong-Hai; Shao, Huai-Yu; Mo, Zong-Wen; Chen, Xiao-Ming","Efficient capture of trace benzene vapor by metal-organic frameworks modified with macrocyclic pyridyl ligands.","Chemical science","2025","16","42","19867","19875","10.1039/d5sc05093f","","x-ray","1.54184","CuKα","","0.0875","0.0779","","","0.2085","0.2179","","","","","","1.012","","","","has coordinates,has disorder","303635","2025-11-29","18:29:27",""
"1575781","19.1879","0.0007","19.1879","0.0007","11.9176","0.0005","90","","90","","120","","3799.9","0.3","150","0.13","150","0.13","","","","","","","","5","P -6 m 2","P -6 2","187","","","","- C99 H60 Fe3 N9 O13 -","- C99 H60 Fe3 N9 O13 -","- C99 H60 Fe3 N9 O13 -","1","0.0833333","","Liang, Gang; Chen, De-Jian; Long, Zhu-Jun; Zhuo, Hao; Zhong, Xiao-Feng; Chen, Xiong-Hai; Shao, Huai-Yu; Mo, Zong-Wen; Chen, Xiao-Ming","Efficient capture of trace benzene vapor by metal-organic frameworks modified with macrocyclic pyridyl ligands.","Chemical science","2025","16","42","19867","19875","10.1039/d5sc05093f","","x-ray","1.54184","CuKα","","0.1184","0.1041","","","0.2887","0.3106","","","","","","1.263","","","","has coordinates,has disorder","303635","2025-11-29","18:29:27",""
"1575782","19.2448","0.001","19.2448","0.001","11.8172","0.0011","90","","90","","120","","3790.3","0.4","293","2","293","2","","","","","","","","5","P -6 m 2","P -6 2","187","","","","- C84 H44 Fe3 N9 O13 -","- C84 H44 Fe3 N9 O13 -","- C84 H44 Fe3 N9 O13 -","1","0.0833333","","Liang, Gang; Chen, De-Jian; Long, Zhu-Jun; Zhuo, Hao; Zhong, Xiao-Feng; Chen, Xiong-Hai; Shao, Huai-Yu; Mo, Zong-Wen; Chen, Xiao-Ming","Efficient capture of trace benzene vapor by metal-organic frameworks modified with macrocyclic pyridyl ligands.","Chemical science","2025","16","42","19867","19875","10.1039/d5sc05093f","","x-ray","1.54184","CuKα","","0.0864","0.0721","","","0.212","0.2231","","","","","","1.13","","","","has coordinates,has disorder","303635","2025-11-29","18:29:27",""
"1575783","19.7386","0.0016","19.7386","0.0016","11.014","0.0012","90","","90","","120","","3716.3","0.6","150","10","150","10","","","","","","","","5","P -6 m 2","P -6 2","187","","","","- C82 H38 Fe3 N6 O19 -","- C81.998 H38 Fe3 N6 O19 -","- C81.998 H38 Fe3 N6 O19 -","1","0.0833333","","Liang, Gang; Chen, De-Jian; Long, Zhu-Jun; Zhuo, Hao; Zhong, Xiao-Feng; Chen, Xiong-Hai; Shao, Huai-Yu; Mo, Zong-Wen; Chen, Xiao-Ming","Efficient capture of trace benzene vapor by metal-organic frameworks modified with macrocyclic pyridyl ligands.","Chemical science","2025","16","42","19867","19875","10.1039/d5sc05093f","","x-ray","1.54184","CuKα","","0.126","0.0926","","","0.2589","0.2943","","","","","","1.037","","","","has coordinates,has disorder","303635","2025-11-29","18:29:27",""
"1575784","19.3746","0.0005","19.3746","0.0005","11.6627","0.0003","90","","90","","120","","3791.36","0.17","293","3","293","3","","","","","","","","6","P -6 m 2","P -6 2","187","","","","- C71 H41 B3 Fe3 N3 O16 -","- C71 H41 B3 Fe3 N3 O16 -","- C71 H41 B3 Fe3 N3 O16 -","1","0.0833333","","Liang, Gang; Chen, De-Jian; Long, Zhu-Jun; Zhuo, Hao; Zhong, Xiao-Feng; Chen, Xiong-Hai; Shao, Huai-Yu; Mo, Zong-Wen; Chen, Xiao-Ming","Efficient capture of trace benzene vapor by metal-organic frameworks modified with macrocyclic pyridyl ligands.","Chemical science","2025","16","42","19867","19875","10.1039/d5sc05093f","","x-ray","1.54184","CuKα","","0.0943","0.0835","","","0.2474","0.2654","","","","","","1.146","","","","has coordinates,has disorder","303635","2025-11-29","18:29:27",""
"1575785","14.2605","0.0018","15.815","0.002","21.051","0.003","72.144","0.005","88.711","0.005","68.682","0.004","4188.5","1","140","2","140","2","","","","","","","","3","P -1","-P 1","2","","","","- C88 H84 N8 -","- C88 H84 N8 -","- C176 H168 N16 -","2","1","","Spergen, Aswini; Bal, Pranav V.; Khan Shameer Shameem, Asif; Joshy, Arun; Nambiar, Anjana P.; Andrews, Alex P.; Sabapathi, Gokulnath","Bis-subporphyrin-like boron(iii) complexes derived from indolo[2,3-<i>a</i>]carbazole-based cyclic bis-BODIPYs exhibiting persistent helical chirality.","Chemical science","2025","16","41","19164","19171","10.1039/d5sc04279h","","","0.71073","MoKα","","0.1057","0.0535","","","0.1223","0.1522","","","","","","1.027","","","","has coordinates,has disorder","303607","2025-11-29","18:17:55",""
"1575786","16.019","0.004","16.711","0.004","17.19","0.004","80.199","0.009","80.159","0.01","87.116","0.009","4466.7","1.9","140","2","140","2","","","","","","","","6","P -1","-P 1","2","","","","- C92 H90 B2 F4 N8 O2 -","- C92 H90 B2 F4 N8 O2 -","- C184 H180 B4 F8 N16 O4 -","2","1","","Spergen, Aswini; Bal, Pranav V.; Khan Shameer Shameem, Asif; Joshy, Arun; Nambiar, Anjana P.; Andrews, Alex P.; Sabapathi, Gokulnath","Bis-subporphyrin-like boron(iii) complexes derived from indolo[2,3-<i>a</i>]carbazole-based cyclic bis-BODIPYs exhibiting persistent helical chirality.","Chemical science","2025","16","41","19164","19171","10.1039/d5sc04279h","","","0.71073","MoKα","","0.21","0.0878","","","0.2381","0.3167","","","","","","1.008","","","","has coordinates","303607","2025-11-29","18:17:55",""
"1575787","32.653","0.004","16.997","0.002","30.332","0.004","90","","110.73","0.004","90","","15744","3","140","2","140","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C88 H80 B2 F2 N8 -","- C88 H80 B2 F2 N8 -","- C704 H640 B16 F16 N64 -","8","1","","Spergen, Aswini; Bal, Pranav V.; Khan Shameer Shameem, Asif; Joshy, Arun; Nambiar, Anjana P.; Andrews, Alex P.; Sabapathi, Gokulnath","Bis-subporphyrin-like boron(iii) complexes derived from indolo[2,3-<i>a</i>]carbazole-based cyclic bis-BODIPYs exhibiting persistent helical chirality.","Chemical science","2025","16","41","19164","19171","10.1039/d5sc04279h","","","0.71073","MoKα","","0.2075","0.0887","","","0.2308","0.3226","","","","","","0.998","","","","has coordinates,has disorder","303607","2025-11-29","18:17:55",""
"1575788","15.5","0.003","9.04","0.0018","18.05","0.004","90","","99.3","0.03","90","","2495.9","0.9","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H76 Ge2 N2 P2 Si2 -","- C50 H76 Ge2 N2 P2 Si2 -","- C100 H152 Ge4 N4 P4 Si4 -","2","0.5","","Schulz, Annika; Heinz, Myron; Holthausen, Max C.; Hadlington, Terrance J.","The path to an open-shell metallo-germylene: direct ligation, or reduction and metathesis?","Chemical science","2025","16","43","20265","20274","10.1039/d5sc04265h","","","0.71073","MoKα","","0.0386","0.0295","","","0.0662","0.0696","","","","","","1.142","","","","has coordinates","303617","2025-11-29","18:22:25",""
"1575789","13.86","0.003","10.42","0.002","20.49","0.004","90","","93.4","0.03","90","","2954","1","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H86 Ge2 N2 P2 Si2 -","- C62 H86 Ge2 N2 P2 Si2 -","- C124 H172 Ge4 N4 P4 Si4 -","2","0.5","","Schulz, Annika; Heinz, Myron; Holthausen, Max C.; Hadlington, Terrance J.","The path to an open-shell metallo-germylene: direct ligation, or reduction and metathesis?","Chemical science","2025","16","43","20265","20274","10.1039/d5sc04265h","","","0.71073","MoKα","","0.1025","0.0576","","","0.13","0.1547","","","","","","0.981","","","","has coordinates","303617","2025-11-29","18:22:25",""
"1575790","13.12","0.003","13.45","0.003","21.66","0.004","88","0.03","76.1","0.03","72.3","0.03","3531.6","1.5","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C63 H91 Co Ge2 N4 P2 Si2 -","- C63 H91 Co Ge2 N4 P2 Si2 -","- C126 H182 Co2 Ge4 N8 P4 Si4 -","2","1","","Schulz, Annika; Heinz, Myron; Holthausen, Max C.; Hadlington, Terrance J.","The path to an open-shell metallo-germylene: direct ligation, or reduction and metathesis?","Chemical science","2025","16","43","20265","20274","10.1039/d5sc04265h","","","0.71073","MoKα","","0.0809","0.0409","","","0.0849","0.0943","","","","","","0.898","","","","has coordinates","303617","2025-11-29","18:22:25",""
"1575791","11.8843","0.0013","13.7126","0.0013","19.676","0.002","107.207","0.004","96.78","0.004","107.081","0.003","2853.2","0.5","150","2","150","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C69 H58 O4 P2 S4 -","- C69 H58 O4 P2 S4 -","- C138 H116 O8 P4 S8 -","2","1","","Schulz, Annika; Heinz, Myron; Holthausen, Max C.; Hadlington, Terrance J.","The path to an open-shell metallo-germylene: direct ligation, or reduction and metathesis?","Chemical science","2025","16","43","20265","20274","10.1039/d5sc04265h","","x-ray","0.71073","MoKα","","0.0662","0.0554","","","0.1433","0.1512","","","","","","1.056","","","","has coordinates","303617","2025-11-29","18:22:25",""
"1575792","32.5","0.007","19.92","0.004","28.05","0.006","90","","90","","90","","18160","7","150","2","150","2","","","","","","","","9","P c a 21","P 2c -2ac","29","","","","- C90 H91 B Co F24 Ge N3 P Si -","- C89.9999 H91 B Co F24 Ge N3 P Si -","- C719.999 H728 B8 Co8 F192 Ge8 N24 P8 Si8 -","8","2","","Schulz, Annika; Heinz, Myron; Holthausen, Max C.; Hadlington, Terrance J.","The path to an open-shell metallo-germylene: direct ligation, or reduction and metathesis?","Chemical science","2025","16","43","20265","20274","10.1039/d5sc04265h","","","0.71073","MoKα","","0.0812","0.0601","","","0.1544","0.1673","","","","","","1.062","","","","has coordinates,has disorder","303617","2025-11-29","18:22:25",""
"1575793","9.338","0.002","11.05","0.003","17.24","0.004","101.809","0.002","99.237","0.002","98.528","0.002","1688.2","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H23 F12 Mn O10 Rh -","- C25 H23 F12 Mn O10 Rh -","- C50 H46 F24 Mn2 O20 Rh2 -","2","1","","Zulqarnain, Muhammad; Wei, Zheng; Hollo, Marcell; Dunn, Kathleen A.; Dikarev, Evgeny V.","Molecular precursor synthesis of the Rh<sub>2</sub>O<sub>3</sub>/Fe<sub>2</sub>O<sub>3</sub> spherical architecture for enhanced acidic HER activity and durability.","Chemical science","2025","16","40","18695","18704","10.1039/d5sc04912a","","","0.71073","MoKα","","0.0999","0.0715","","","0.1334","0.1464","","","","","","1.186","","","","has coordinates","303652","2025-11-29","18:35:06",""
"1575794","9.3721","0.0008","10.8813","0.0009","17.0276","0.0015","101.894","0.002","101.188","0.002","98.108","0.002","1637","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H23 Co F12 O10 Rh -","- C25 H23 Co F12 O10 Rh -","- C50 H46 Co2 F24 O20 Rh2 -","2","1","","Zulqarnain, Muhammad; Wei, Zheng; Hollo, Marcell; Dunn, Kathleen A.; Dikarev, Evgeny V.","Molecular precursor synthesis of the Rh<sub>2</sub>O<sub>3</sub>/Fe<sub>2</sub>O<sub>3</sub> spherical architecture for enhanced acidic HER activity and durability.","Chemical science","2025","16","40","18695","18704","10.1039/d5sc04912a","","","0.71073","MoKα","","0.0703","0.0464","","","0.078","0.086","","","","","","1.062","","","","has coordinates,has disorder","303652","2025-11-29","18:35:10",""
"1575795","9.3525","0.0007","10.8615","0.0008","17.1401","0.0014","101.427","0.003","100.816","0.002","98.018","0.002","1647.8","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H23 F12 Fe O10 Rh -","- C25 H23 F12 Fe O10 Rh -","- C50 H46 F24 Fe2 O20 Rh2 -","2","1","","Zulqarnain, Muhammad; Wei, Zheng; Hollo, Marcell; Dunn, Kathleen A.; Dikarev, Evgeny V.","Molecular precursor synthesis of the Rh<sub>2</sub>O<sub>3</sub>/Fe<sub>2</sub>O<sub>3</sub> spherical architecture for enhanced acidic HER activity and durability.","Chemical science","2025","16","40","18695","18704","10.1039/d5sc04912a","","","0.71073","MoKα","","0.0792","0.0508","","","0.0803","0.089","","","","","","1.049","","","","has coordinates,has disorder","303652","2025-11-29","18:35:21",""
"1575796","13.652","0.0003","7.41605","0.00015","16.2743","0.0004","90","","98.865","0.002","90","","1627.99","0.06","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H21 O6 Rh -","- C15 H21 O6 Rh -","- C60 H84 O24 Rh4 -","4","1","","Zulqarnain, Muhammad; Wei, Zheng; Hollo, Marcell; Dunn, Kathleen A.; Dikarev, Evgeny V.","Molecular precursor synthesis of the Rh<sub>2</sub>O<sub>3</sub>/Fe<sub>2</sub>O<sub>3</sub> spherical architecture for enhanced acidic HER activity and durability.","Chemical science","2025","16","40","18695","18704","10.1039/d5sc04912a","","x-ray","0.71073","MoKα","","0.0258","0.0214","","","0.0502","0.0523","","","","","","1.051","","","","has coordinates,has disorder","303652","2025-11-29","18:35:22",""
"1575818","6.7802","0.0001","9.4831","0.0001","22.5161","0.0003","90","","90.741","0.001","90","","1447.6","0.03","123.15","","123.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H23 N O2 -","- C16 H23 N O2 -","- C64 H92 N4 O8 -","4","1","","Kawanaka, Kazuki; Narita, Shusuke; Kiyokawa, Kensuke; Minakata, Satoshi","Versatile method for the synthesis of aminobenziodoxolones and its application to one-pot coupling of arylboronic acids with simple amines.","Chemical science","2025","16","41","19389","19396","10.1039/d5sc06301a","","x-ray","1.54184","CuKα","","0.043","0.0397","","","0.1116","0.1147","","","","","","1.072","","","","has coordinates","303609","2025-11-29","18:18:43",""
"1575819","11.684","0.005","11.772","0.006","15.675","0.007","79.612","0.016","88.653","0.014","72.481","0.017","2021.2","1.6","193","2","193.15","","","","","","","","","7","P -1","-P 1","2","","","","- C74 H98 Dy2 N4 O18 P4 S4 -","- C74 H98 Dy2 N4 O18 P4 S4 -","- C74 H98 Dy2 N4 O18 P4 S4 -","1","0.5","","Qin, Ye-Hui; Ma, Xiu-Fang; Hou, Xinlan; Huang, Xin-Da; Bao, Song-Song; Tian, Yuxi; Zhang, Yi-Quan; Zheng, Li-Min","Photoresponsive luminescent single-molecule magnets based on dysprosium-anthracene complexes: regulating the de-dimerization temperature of the photocycloaddition product by co-ligand.","Chemical science","2025","16","42","19806","19819","10.1039/d5sc04192a","","","0.71073","MoKα","","0.0913","0.0748","","","0.196","0.22","","","","","","1.037","","","","has coordinates","303629","2025-11-29","18:26:46",""
"1575820","11.51","0.003","12.095","0.004","15.978","0.008","75.029","0.011","77.563","0.011","74.378","0.009","2043.9","1.3","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C72 H94 Dy2 N4 O18 P4 S4 -","- C72 H94 Dy2 N4 O18 P4 S4 -","- C72 H94 Dy2 N4 O18 P4 S4 -","1","0.5","","Qin, Ye-Hui; Ma, Xiu-Fang; Hou, Xinlan; Huang, Xin-Da; Bao, Song-Song; Tian, Yuxi; Zhang, Yi-Quan; Zheng, Li-Min","Photoresponsive luminescent single-molecule magnets based on dysprosium-anthracene complexes: regulating the de-dimerization temperature of the photocycloaddition product by co-ligand.","Chemical science","2025","16","42","19806","19819","10.1039/d5sc04192a","","","0.71073","MoKα","","0.0457","0.0408","","","0.1049","0.1094","","","","","","1.032","","","","has coordinates,has disorder","303629","2025-11-29","18:26:46",""
"1575821","11.7534","0.0006","11.9133","0.0006","15.7506","0.0008","77.928","0.001","87.062","0.001","73.664","0.001","2069.52","0.18","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H49 Dy N2 O9 P2 S2 -","- C37 H49 Dy N2 O9 P2 S2 -","- C74 H98 Dy2 N4 O18 P4 S4 -","2","1","","Qin, Ye-Hui; Ma, Xiu-Fang; Hou, Xinlan; Huang, Xin-Da; Bao, Song-Song; Tian, Yuxi; Zhang, Yi-Quan; Zheng, Li-Min","Photoresponsive luminescent single-molecule magnets based on dysprosium-anthracene complexes: regulating the de-dimerization temperature of the photocycloaddition product by co-ligand.","Chemical science","2025","16","42","19806","19819","10.1039/d5sc04192a","","","0.71073","MoKα","","0.0519","0.044","","","0.1177","0.1277","","","","","","1.043","","","","has coordinates","303629","2025-11-29","18:26:46",""
"1575822","11.5836","0.0007","12.16","0.0006","15.5974","0.0007","76.572","0.002","78.797","0.002","72.22","0.002","2016.73","0.18","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C72 H94 Dy2 N4 O18 P4 S4 -","- C72 H94 Dy2 N4 O18 P4 S4 -","- C72 H94 Dy2 N4 O18 P4 S4 -","1","0.5","","Qin, Ye-Hui; Ma, Xiu-Fang; Hou, Xinlan; Huang, Xin-Da; Bao, Song-Song; Tian, Yuxi; Zhang, Yi-Quan; Zheng, Li-Min","Photoresponsive luminescent single-molecule magnets based on dysprosium-anthracene complexes: regulating the de-dimerization temperature of the photocycloaddition product by co-ligand.","Chemical science","2025","16","42","19806","19819","10.1039/d5sc04192a","","","0.71073","MoKα","","0.0552","0.0423","","","0.0841","0.0916","","","","","","1.078","","","","has coordinates,has disorder","303629","2025-11-29","18:26:46",""
"1575823","10.3899","0.0006","27.4979","0.0017","15.7602","0.001","90","","90","","90","","4502.7","0.5","213","2","213","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C39 H29 Cl4 Ir N6 S2 -","- C39 H29 Cl4 Ir N6 S2 -","- C156 H116 Cl16 Ir4 N24 S8 -","4","1","","Shum, Justin; Leung, Peter Kam-Keung; Huang, Lili; Lee, Lawrence Cho-Cheung; Yarshova, Maryana; Cheng, Lin; Pan, Yi; Chiang, Michael Wai-Lun; Yiu, Ken Shek-Man; Lau, Kai-Chung; Tang, Ben Zhong; Lo, Kenneth Kam-Wing","Unusual ""mesoionic"" N^S biscyclometallated iridium(iii) polypyridine complexes as photosensitisers for photodynamic therapy and type II immunogenic cell death inducers.","Chemical science","2025","16","44","20931","20941","10.1039/d5sc04772b","","","1.54178","CuKα","","0.0317","0.0301","","","0.0779","0.079","","","","","","1.095","","","","has coordinates,has disorder","303598","2025-11-29","18:14:48",""
"1575824","12.307","0.004","17.002","0.003","18.109","0.004","90","","96.713","0.011","90","","3763.2","1.6","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42.5 H28 Cl3 Ir N6 S2 -","- C42.5 H28 Cl3 Ir N6 S2 -","- C170 H112 Cl12 Ir4 N24 S8 -","4","1","","Shum, Justin; Leung, Peter Kam-Keung; Huang, Lili; Lee, Lawrence Cho-Cheung; Yarshova, Maryana; Cheng, Lin; Pan, Yi; Chiang, Michael Wai-Lun; Yiu, Ken Shek-Man; Lau, Kai-Chung; Tang, Ben Zhong; Lo, Kenneth Kam-Wing","Unusual ""mesoionic"" N^S biscyclometallated iridium(iii) polypyridine complexes as photosensitisers for photodynamic therapy and type II immunogenic cell death inducers.","Chemical science","2025","16","44","20931","20941","10.1039/d5sc04772b","","","0.71073","MoKα","","0.0745","0.0463","","","0.103","0.1187","","","","","","1.023","","","","has coordinates,has disorder","303598","2025-11-29","18:14:50",""
"1575825","13.7189","0.0002","17.4229","0.0003","19.5329","0.0004","90","","110.428","0.001","90","","4375.2","0.14","213","2","213","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H31 Cl2 Ir N6 S4 -","- C50 H31 Cl2 Ir N6 S4 -","- C200 H124 Cl8 Ir4 N24 S16 -","4","1","","Shum, Justin; Leung, Peter Kam-Keung; Huang, Lili; Lee, Lawrence Cho-Cheung; Yarshova, Maryana; Cheng, Lin; Pan, Yi; Chiang, Michael Wai-Lun; Yiu, Ken Shek-Man; Lau, Kai-Chung; Tang, Ben Zhong; Lo, Kenneth Kam-Wing","Unusual ""mesoionic"" N^S biscyclometallated iridium(iii) polypyridine complexes as photosensitisers for photodynamic therapy and type II immunogenic cell death inducers.","Chemical science","2025","16","44","20931","20941","10.1039/d5sc04772b","","","1.54178","CuKα","","0.0523","0.0467","","","0.1172","0.1215","","","","","","1.07","","","","has coordinates","303598","2025-11-29","18:14:50",""
"1575826","10.13513","0.00012","6.32967","0.00009","12.14214","0.00015","90","","105.726","0.0013","90","","749.788","0.017","150","0.1","150","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H16 O2 -","- C21 H16 O2 -","- C42 H32 O4 -","2","1","","Zhan, Shuming; Wang, Chengyu; Duan, Longhui; Gu, Zhenhua","Chiral benzo[2.2.1] α-hydroxyketones from a dirhodium(ii)/bisphosphine-catalyzed desymmetrization addition reaction.","Chemical science","2025","16","41","19397","19402","10.1039/d5sc03779d","","x-ray","1.54184","CuKα","","0.0318","0.0317","","","0.0864","0.0865","","","","","","1.05","","","","has coordinates","303601","2025-11-29","18:16:08",""
"1575827","8.1974","0.0004","13.1816","0.0005","15.5004","0.0006","90","","90","","90","","1674.89","0.12","150","0.1","150","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H15 N3 O -","- C21 H15 N3 O -","- C84 H60 N12 O4 -","4","1","","Zhan, Shuming; Wang, Chengyu; Duan, Longhui; Gu, Zhenhua","Chiral benzo[2.2.1] α-hydroxyketones from a dirhodium(ii)/bisphosphine-catalyzed desymmetrization addition reaction.","Chemical science","2025","16","41","19397","19402","10.1039/d5sc03779d","","x-ray","1.54184","CuKα","","0.0725","0.0686","","","0.1942","0.1998","","","","","","1.052","","","","has coordinates","303601","2025-11-29","18:16:10",""
"1575828","5.5251","0.0001","5.5251","0.0001","5.5251","0.0001","90","","90","","90","","168.663","0.005","296","2","296","2","","","","","","","","4","P -4 3 m","P -4 2 3","215","","","","- Cu4 S2.08 Se1.919 Ti -","- Cu3.998 S2.08 Se1.92 Ti -","- Cu3.998 S2.08 Se1.92 Ti -","1","0.0416667","","Li, Qinzhen; Jiang, Tingting; Yang, Sha; Chai, Jinsong; Yu, Haizhu; Zhu, Manzhou","Construction of a homologous series of metal nanoclusters and implications for structure-activity correlations.","Chemical science","2025","16","42","19669","19676","10.1039/d5sc06282a","","x-ray","0.71073","MoKα","","0.0226","0.0192","","","0.0526","0.0542","","","","1.75","1.75","1.67","","","","has coordinates","303628","2025-11-29","18:26:31",""
"1575829","19.876","0.0002","36.5485","0.0004","33.0304","0.0003","90","","105.179","0.001","90","","23157.4","0.4","120","","120","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C193.5 H258 Au24 O P2 S14 -","- C193.5 H258 Au24 O P2 S14 -","- C774 H1032 Au96 O4 P8 S56 -","4","1","","Li, Qinzhen; Jiang, Tingting; Yang, Sha; Chai, Jinsong; Yu, Haizhu; Zhu, Manzhou","Construction of a homologous series of metal nanoclusters and implications for structure-activity correlations.","Chemical science","2025","16","42","19669","19676","10.1039/d5sc06282a","","","1.54186","CuKα","","0.0856","0.0746","","","0.1975","0.2024","","","","","","1.067","","","","has coordinates","303628","2025-11-29","18:26:32",""
"1575830","17.6876","0.0005","21.7743","0.0006","30.2373","0.0007","96.568","0.002","92.621","0.002","91.671","0.002","11550","0.5","120","","120","","","","","","","","","8","P -1","-P 1","2","","","","- C211 H278 Au22 Cd2 Cl2 O P2 S14 -","- C211 H278 Au22 Cd2 Cl2 O P2 S14 -","- C422 H556 Au44 Cd4 Cl4 O2 P4 S28 -","2","1","","Li, Qinzhen; Jiang, Tingting; Yang, Sha; Chai, Jinsong; Yu, Haizhu; Zhu, Manzhou","Construction of a homologous series of metal nanoclusters and implications for structure-activity correlations.","Chemical science","2025","16","42","19669","19676","10.1039/d5sc06282a","","","1.54186","CuKα","","0.0956","0.039","","","0.066","0.0748","","","","","","0.575","","","","has coordinates","303628","2025-11-29","18:26:33",""
"1575831","4.1319","0.0002","15.3888","0.0007","8.5819","0.0004","90","","101.967","0.002","90","","533.82","0.04","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H12 N4 O2 -","- C10 H12 N4 O2 -","- C20 H24 N8 O4 -","2","0.5","","Seyfried, Maximilian D.; Gemen, Julius; Wyszynski, Leonard; Giard, Carl L.; Daniliuc, Constantin G.; Schönhoff, Monika; Doltsinis, Nikos L.; Glorius, Frank; Ravoo, Bart Jan","Azobisheteroarene photoswitches based on isoxazoles and pyrazoles: tunable photostationary states, thermal relaxation and sensitization under confinement.","Chemical science","2025","16","41","19448","19455","10.1039/d5sc04412j","","x-ray","1.54178","CuKα","","0.0342","0.0317","","","0.0865","0.0887","","","","","","1.095","","","","has coordinates","303602","2025-11-29","18:16:21",""
"1575832","20.9217","0.0013","4.4554","0.0002","10.4846","0.0006","90","","90","","90","","977.32","0.09","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C9 H10 N4 O2 -","- C9 H10 N4 O2 -","- C36 H40 N16 O8 -","4","1","","Seyfried, Maximilian D.; Gemen, Julius; Wyszynski, Leonard; Giard, Carl L.; Daniliuc, Constantin G.; Schönhoff, Monika; Doltsinis, Nikos L.; Glorius, Frank; Ravoo, Bart Jan","Azobisheteroarene photoswitches based on isoxazoles and pyrazoles: tunable photostationary states, thermal relaxation and sensitization under confinement.","Chemical science","2025","16","41","19448","19455","10.1039/d5sc04412j","","x-ray","0.71073","MoKα","","0.0332","0.0306","","","0.078","0.0801","","","","","","1.035","","","","has coordinates","303602","2025-11-29","18:16:21",""
"1575833","5.3862","0.0002","6.801","0.0003","24.9772","0.0013","90","","91.998","0.004","90","","914.4","0.07","109.95","0.1","109.95","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 O2 S -","- C10 H12 O2 S -","- C40 H48 O8 S4 -","4","1","","Downes, Thomas D.; Jones, S. Paul; Firth, James D.; Darby, John F.; Gilio, Amelia K.; Klein, Hanna F.; Wang, Xinyu; Blakemore, David C.; De Fusco, Claudia; Roughley, Stephen D.; Vidler, Lewis R.; Whatton, Maria Ann; Woolford, Alison J.-A.; Wrigley, Gail L.; Hubbard, Roderick E.; Wu, Liang; Davies, Gideon J.; O'Brien, Peter","Design, modular synthesis and screening of 58 shape-diverse 3-D fragments.","Chemical science","2025","16","42","20030","20041","10.1039/d5sc05819h","","x-ray","1.54184","CuKα","","0.0361","0.0306","","","0.0731","0.0781","","","","","","1.032","","","","has coordinates,has disorder","303638","2025-11-29","18:30:12",""
"1575834","5.6368","0.0005","11.7599","0.0008","15.6467","0.0012","68.397","0.007","86.839","0.007","87.855","0.006","962.71","0.14","110","0.1","110","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C11 H11 F O3 -","- C11 H11 F O3 -","- C44 H44 F4 O12 -","4","2","","Downes, Thomas D.; Jones, S. Paul; Firth, James D.; Darby, John F.; Gilio, Amelia K.; Klein, Hanna F.; Wang, Xinyu; Blakemore, David C.; De Fusco, Claudia; Roughley, Stephen D.; Vidler, Lewis R.; Whatton, Maria Ann; Woolford, Alison J.-A.; Wrigley, Gail L.; Hubbard, Roderick E.; Wu, Liang; Davies, Gideon J.; O'Brien, Peter","Design, modular synthesis and screening of 58 shape-diverse 3-D fragments.","Chemical science","2025","16","42","20030","20041","10.1039/d5sc05819h","","x-ray","1.54184","CuKα","","0.0517","0.04","","","0.0969","0.1047","","","","","","1.035","","","","has coordinates","303638","2025-11-29","18:30:13",""
"1575835","5.6964","0.0017","8.141","0.003","17.53","0.005","90","","95.008","0.009","90","","809.8","0.4","118.67","","118.67","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H19 N S -","- C20 H19 N S -","- C40 H38 N2 S2 -","2","1","","Head, Joshua F.; Schubert, Tanner J.; Zhao, Biyu; Dong, Yuyang","Cu-catalyzed enantioconvergent deborylative alkynylation.","Chemical science","2025","16","43","20382","20388","10.1039/d5sc04733a","","","0.71073","MoKα","","0.1173","0.0666","","","0.1385","0.1619","","","","","","1.034","","","","has coordinates,has disorder","303612","2025-11-29","18:20:28",""
"1575836","30.1685","0.0017","4.6266","0.0003","16.5136","0.0009","90","","110.08","0.002","90","","2164.8","0.2","100","","100","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C25 H15 F9 O -","- C25 H15 F9 O -","- C100 H60 F36 O4 -","4","1","","Head, Joshua F.; Schubert, Tanner J.; Zhao, Biyu; Dong, Yuyang","Cu-catalyzed enantioconvergent deborylative alkynylation.","Chemical science","2025","16","43","20382","20388","10.1039/d5sc04733a","","","1.54178","CuKα","","0.0623","0.0615","","","0.1649","0.166","","","","","","1.035","","","","has coordinates,has disorder","303612","2025-11-29","18:20:29",""
"1575837","22.8695","0.0006","9.7003","0.0002","30.5929","0.0009","90","","104.738","0.001","90","","6563.5","0.3","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C79 H70 B Cl3 N5 -","- C79 H70 B Cl3 N5 -","- C316 H280 B4 Cl12 N20 -","4","1","","Xu, Shipan; Liu, Wenping; Yan, An; Du, Xuyang; Sun, Yuanhui; Tao, Junfei; Zhou, Guijiang; Chen, Zhao; Yang, Xiaolong","Enhancing the reverse intersystem crossing (RISC) rates and efficiencies of MR-TADF emitters with a U-shaped molecular structure for solution-processed OLEDs.","Chemical science","2025","16","42","19956","19966","10.1039/d5sc04507j","","","0.71073","MoKα","","0.131","0.0875","","","0.2576","0.2927","","","","","","1.096","","","","has coordinates,has disorder","303625","2025-11-29","18:25:42",""
"1575838","16.5112","0.0009","18.8723","0.001","21.3924","0.0011","104.317","0.002","109.622","0.002","92.396","0.002","6026.7","0.6","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C75 H67 B Cl3 N3 -","- C75 H67 B Cl3 N3 -","- C300 H268 B4 Cl12 N12 -","4","2","","Xu, Shipan; Liu, Wenping; Yan, An; Du, Xuyang; Sun, Yuanhui; Tao, Junfei; Zhou, Guijiang; Chen, Zhao; Yang, Xiaolong","Enhancing the reverse intersystem crossing (RISC) rates and efficiencies of MR-TADF emitters with a U-shaped molecular structure for solution-processed OLEDs.","Chemical science","2025","16","42","19956","19966","10.1039/d5sc04507j","","","1.54178","CuKα","","0.0882","0.0678","","","0.1998","0.2206","","","","","","1.081","","","","has coordinates,has disorder","303625","2025-11-29","18:25:42",""
"1575843","9.8643","0.0003","15.3347","0.0003","23.6263","0.0005","90","","90","","90","","3573.86","0.15","193","","193","","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C37 H23 Br2 Cl3 N2 O8 -","- C37 H23 Br2 Cl3 N2 O8 -","- C148 H92 Br8 Cl12 N8 O32 -","4","0.5","","Yang, Yang; Bai, Guishun; Qin, Mengmeng; Wang, Juelian; Yang, Yihuan; Wang, Hong; Bonne, Damien; Rodriguez, Jean; Bao, Xiaoze","Atroposelective synthesis of sterically hindered stereochemically complex BINOL derivatives <i>via</i> central-to-axial chirality induction.","Chemical science","2025","16","41","19342","19349","10.1039/d5sc05212b","","x-ray","1.34139","GaKα","","0.052","0.0388","","","0.0839","0.0903","","","","","","1.036","","","","has coordinates,has disorder","303604","2025-11-29","18:16:46",""
"1575844","10.9974","0.0006","14.065","0.0008","18.8512","0.0011","90","","90","","90","","2915.9","0.3","193","","193","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H22 N2 O8 -","- C36 H22 N2 O8 -","- C144 H88 N8 O32 -","4","1","","Yang, Yang; Bai, Guishun; Qin, Mengmeng; Wang, Juelian; Yang, Yihuan; Wang, Hong; Bonne, Damien; Rodriguez, Jean; Bao, Xiaoze","Atroposelective synthesis of sterically hindered stereochemically complex BINOL derivatives <i>via</i> central-to-axial chirality induction.","Chemical science","2025","16","41","19342","19349","10.1039/d5sc05212b","","x-ray","1.34139","GaKα","","0.0403","0.0338","","","0.0804","0.084","","","","","","1.071","","","","has coordinates","303604","2025-11-29","18:16:47",""
"1575845","9.8612","0.0009","34.138","0.003","9.8708","0.0009","90","","117.418","0.003","90","","2949.7","0.5","150.15","","150.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C73 H43 Cl3 N2 O12 -","- C73 H43 Cl3 N2 O12 -","- C146 H86 Cl6 N4 O24 -","2","1","","Yang, Yang; Bai, Guishun; Qin, Mengmeng; Wang, Juelian; Yang, Yihuan; Wang, Hong; Bonne, Damien; Rodriguez, Jean; Bao, Xiaoze","Atroposelective synthesis of sterically hindered stereochemically complex BINOL derivatives <i>via</i> central-to-axial chirality induction.","Chemical science","2025","16","41","19342","19349","10.1039/d5sc05212b","","","1.54178","CuKα","","0.0815","0.0721","","","0.2054","0.2149","","","","","","1.073","","","","has coordinates","303604","2025-11-29","18:16:47",""
"1575846","10.0767","0.0002","14.0462","0.0003","18.0179","0.0004","90","","90","","90","","2550.24","0.09","193","","193","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C36 H22 O4 -","- C36 H22 O4 -","- C144 H88 O16 -","4","1","","Yang, Yang; Bai, Guishun; Qin, Mengmeng; Wang, Juelian; Yang, Yihuan; Wang, Hong; Bonne, Damien; Rodriguez, Jean; Bao, Xiaoze","Atroposelective synthesis of sterically hindered stereochemically complex BINOL derivatives <i>via</i> central-to-axial chirality induction.","Chemical science","2025","16","41","19342","19349","10.1039/d5sc05212b","","x-ray","1.54178","CuKα","","0.0385","0.0318","","","0.0828","0.0874","","","","","","1.05","","","","has coordinates","303604","2025-11-29","18:16:47",""
"1575851","32.56","0.005","6.5554","0.0006","25.584","0.005","90","","90","","90","","5460.7","1.4","100","","100","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C36 H18 F2 S3 -","- C36 H18 F2 S3 -","- C288 H144 F16 S24 -","8","0.5","","Fu, Wei; Simon, Martin; Golz, Christopher; Alcarazo, Manuel","Enantioselective synthesis and racemization dynamics of trithia[5]helicenes derived from the dithieno[2,3-<i>b</i>:3',2'-<i>d</i>]-thiophene unit.","Chemical science","2025","16","41","19172","19177","10.1039/d5sc06132f","","","0.71073","MoKα","","0.022","0.0214","","","0.0561","0.0567","","","","","","1.096","","","","has coordinates,has disorder","303606","2025-11-29","18:17:27",""
"1575852","6.1063","0.001","17.36","0.003","24.441","0.004","90","","90.808","0.004","90","","2590.6","0.7","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H18 F2 S3 -","- C36 H18 F2 S3 -","- C144 H72 F8 S12 -","4","1","","Fu, Wei; Simon, Martin; Golz, Christopher; Alcarazo, Manuel","Enantioselective synthesis and racemization dynamics of trithia[5]helicenes derived from the dithieno[2,3-<i>b</i>:3',2'-<i>d</i>]-thiophene unit.","Chemical science","2025","16","41","19172","19177","10.1039/d5sc06132f","","x-ray","0.71073","MoKα","","0.0464","0.0379","","","0.0916","0.0979","","","","","","1.06","","","","has coordinates","303606","2025-11-29","18:17:27",""
"1575853","16.6491","0.0005","7.9062","0.0002","24.9766","0.0008","90","","97.027","0.002","90","","3263","0.17","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C77 H38 Cl2 F12 S6 -","- C76.999 H37.998 Cl1.998 F12 S6 -","- C153.998 H75.996 Cl3.996 F24 S12 -","2","1","","Fu, Wei; Simon, Martin; Golz, Christopher; Alcarazo, Manuel","Enantioselective synthesis and racemization dynamics of trithia[5]helicenes derived from the dithieno[2,3-<i>b</i>:3',2'-<i>d</i>]-thiophene unit.","Chemical science","2025","16","41","19172","19177","10.1039/d5sc06132f","","x-ray","1.54178","CuKα","","0.041","0.0384","","","0.0994","0.1022","","","","","","1.032","","","","has coordinates,has disorder","303606","2025-11-29","18:17:27",""
"1575854","16.2789","0.0018","15.3827","0.0016","11.4782","0.0011","90","","101.692","0.004","90","","2814.7","0.5","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C38 H24 O2 S3 -","- C38 H24 O2 S3 -","- C152 H96 O8 S12 -","4","0.5","","Fu, Wei; Simon, Martin; Golz, Christopher; Alcarazo, Manuel","Enantioselective synthesis and racemization dynamics of trithia[5]helicenes derived from the dithieno[2,3-<i>b</i>:3',2'-<i>d</i>]-thiophene unit.","Chemical science","2025","16","41","19172","19177","10.1039/d5sc06132f","","x-ray","0.71073","MoKα","","0.0378","0.0332","","","0.0836","0.0873","","","","","","1.045","","","","has coordinates","303606","2025-11-29","18:17:27",""
"1575855","8.9156","0.0004","25.971","0.0014","13.2783","0.0007","90","","100.978","0.001","90","","3018.3","0.3","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H22 Br2 O2 S3 -","- C38 H22.54 Br2.0391 O2 S3 -","- C152 H90.16 Br8.1564 O8 S12 -","4","1","","Fu, Wei; Simon, Martin; Golz, Christopher; Alcarazo, Manuel","Enantioselective synthesis and racemization dynamics of trithia[5]helicenes derived from the dithieno[2,3-<i>b</i>:3',2'-<i>d</i>]-thiophene unit.","Chemical science","2025","16","41","19172","19177","10.1039/d5sc06132f","","x-ray","0.71073","MoKα","","0.035","0.0293","","","0.0735","0.0762","","","","","","1.027","","","","has coordinates,has disorder","303606","2025-11-29","18:17:27",""
"1575856","11.8299","0.0007","12.3531","0.001","13.52","0.0011","101.759","0.002","107.913","0.002","105.919","0.002","1715.9","0.2","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C44 H28 Br2.03 O2 S3 -","- C44 H28 Br2.0244 O2 S3 -","- C88 H56 Br4.0488 O4 S6 -","2","1","","Fu, Wei; Simon, Martin; Golz, Christopher; Alcarazo, Manuel","Enantioselective synthesis and racemization dynamics of trithia[5]helicenes derived from the dithieno[2,3-<i>b</i>:3',2'-<i>d</i>]-thiophene unit.","Chemical science","2025","16","41","19172","19177","10.1039/d5sc06132f","","x-ray","0.71073","MoKα","","0.0346","0.0287","","","0.0718","0.0753","","","","","","1.025","","","","has coordinates,has disorder","303606","2025-11-29","18:17:27",""
"1575857","13.2828","0.0015","14.2038","0.0009","18.067","0.002","67.511","0.002","73.705","0.002","86.208","0.003","3019.6","0.5","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C38 H18 F6 S3 -","- C38 H18 F6 S3 -","- C152 H72 F24 S12 -","4","2","","Fu, Wei; Simon, Martin; Golz, Christopher; Alcarazo, Manuel","Enantioselective synthesis and racemization dynamics of trithia[5]helicenes derived from the dithieno[2,3-<i>b</i>:3',2'-<i>d</i>]-thiophene unit.","Chemical science","2025","16","41","19172","19177","10.1039/d5sc06132f","","x-ray","0.71073","MoKα","","0.0435","0.0347","","","0.0886","0.0953","","","","","","1.033","","","","has coordinates,has disorder","303606","2025-11-29","18:17:27",""
"1575858","13.864","0.0018","21.852","0.002","24.844","0.003","90","","103.597","0.004","90","","7315.7","1.5","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H26 Cl6 O2 S3 -","- C40 H26 Cl6 O2 S3 -","- C320 H208 Cl48 O16 S24 -","8","2","","Fu, Wei; Simon, Martin; Golz, Christopher; Alcarazo, Manuel","Enantioselective synthesis and racemization dynamics of trithia[5]helicenes derived from the dithieno[2,3-<i>b</i>:3',2'-<i>d</i>]-thiophene unit.","Chemical science","2025","16","41","19172","19177","10.1039/d5sc06132f","","x-ray","0.71073","MoKα","","0.0604","0.0438","","","0.0973","0.1063","","","","","","1.049","","","","has coordinates,has disorder","303606","2025-11-29","18:17:27",""
"1575859","9.7807","0.0002","12.8377","0.0002","20.0417","0.0004","90","","90","","90","","2516.47","0.08","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H23 N3 O2 -","- C32 H23 N3 O2 -","- C128 H92 N12 O8 -","4","1","","He, Jun; Yang, Zun; Lin, Lili; Feng, Xiaoming","Enantioselective synthesis of C-C and C-N axially chiral pyrazole-based heterobiaryls.","Chemical science","2025","16","42","20021","20029","10.1039/d5sc06841j","","","1.54178","CuKα","","0.0361","0.0337","","","0.0835","0.0855","","","","","","1.035","","","","has coordinates","303636","2025-11-29","18:29:46",""
"1575860","11.3478","0.0002","11.1173","0.0002","14.7905","0.0003","90","","100.988","0.001","90","","1831.72","0.06","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 N2 O3 S -","- C22 H16 N2 O3 S -","- C88 H64 N8 O12 S4 -","4","1","","He, Jun; Yang, Zun; Lin, Lili; Feng, Xiaoming","Enantioselective synthesis of C-C and C-N axially chiral pyrazole-based heterobiaryls.","Chemical science","2025","16","42","20021","20029","10.1039/d5sc06841j","","","0.71073","MoKα","","0.0466","0.037","","","0.0887","0.0958","","","","","","1.039","","","","has coordinates","303636","2025-11-29","18:29:46",""
"1575861","10.3004","0.0006","12.8214","0.0007","20.1111","0.0011","90","","90","","90","","2656","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H24 N4 O3 -","- C32 H24 N4 O3 -","- C128 H96 N16 O12 -","4","1","","He, Jun; Yang, Zun; Lin, Lili; Feng, Xiaoming","Enantioselective synthesis of C-C and C-N axially chiral pyrazole-based heterobiaryls.","Chemical science","2025","16","42","20021","20029","10.1039/d5sc06841j","","","1.54178","CuKα","","0.028","0.0272","","","0.0667","0.0674","","","","","","1.056","","","","has coordinates","303636","2025-11-29","18:29:46",""
"1575862","9.4969","0.0002","11.5694","0.0003","12.2031","0.0003","93.947","0.001","96.958","0.001","96.723","0.001","1317.08","0.05","173","2","173","2","","","","","","","","4","P 1","P 1","1","","","","- C64 H52 N8 O6 -","- C64 H52 N8 O6 -","- C64 H52 N8 O6 -","1","1","","He, Jun; Yang, Zun; Lin, Lili; Feng, Xiaoming","Enantioselective synthesis of C-C and C-N axially chiral pyrazole-based heterobiaryls.","Chemical science","2025","16","42","20021","20029","10.1039/d5sc06841j","","","1.54178","CuKα","","0.0291","0.0281","","","0.0707","0.0717","","","","","","1.03","","","","has coordinates,has disorder","303636","2025-11-29","18:29:46",""
"1575863","16.7306","0.0002","8.779","0.0001","24.8572","0.0003","90","","109.06","0.001","90","","3450.82","0.07","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H32 Cl2 N4 O4 -","- C42 H32 Cl2 N4 O4 -","- C168 H128 Cl8 N16 O16 -","4","1","","Lin, Yun-Hsien; Wang, Xiqu; Szczepanik, Dariusz W.; Wieczorkiewicz, Paweł A; Miljanić, Ognjen Š","Inverted azolophanes: alternant <i>o</i>-heteroarene/<i>p</i>-arene macrocycles.","Chemical science","2025","16","42","19967","19972","10.1039/d5sc05981j","","","1.54178","CuKα","","0.0429","0.0399","","","0.1171","0.1197","","","","","","1.08","","","","has coordinates,has disorder","303634","2025-11-29","18:28:41",""
"1575864","10.4421","0.0003","15.656","0.0004","21.4219","0.0005","74.348","0.002","75.957","0.002","78.119","0.002","3234.27","0.15","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C74 H74 F4 N10 O6 -","- C74 H74 F4 N10 O6 -","- C148 H148 F8 N20 O12 -","2","1","","Lin, Yun-Hsien; Wang, Xiqu; Szczepanik, Dariusz W.; Wieczorkiewicz, Paweł A; Miljanić, Ognjen Š","Inverted azolophanes: alternant <i>o</i>-heteroarene/<i>p</i>-arene macrocycles.","Chemical science","2025","16","42","19967","19972","10.1039/d5sc05981j","","","1.54178","CuKα","","0.0875","0.0562","","","0.1494","0.1714","","","","","","1.045","","","","has coordinates,has disorder","303634","2025-11-29","18:28:43",""
"1575865","31.9415","0.0008","9.5284","0.0003","32.2718","0.0009","90","","117.757","0.002","90","","8691.8","0.5","100","2","100","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C79 H79.8 N11 O9 -","- C79 H79.798 N11 O9 -","- C316 H319.192 N44 O36 -","4","1","","Lin, Yun-Hsien; Wang, Xiqu; Szczepanik, Dariusz W.; Wieczorkiewicz, Paweł A; Miljanić, Ognjen Š","Inverted azolophanes: alternant <i>o</i>-heteroarene/<i>p</i>-arene macrocycles.","Chemical science","2025","16","42","19967","19972","10.1039/d5sc05981j","","","1.54178","CuKα","","0.1737","0.0899","","","0.193","0.229","","","","","","1.129","","","","has coordinates,has disorder","303634","2025-11-29","18:28:43",""
"1575866","15.6863","0.0004","19.4786","0.0005","21.1524","0.0004","62.946","0.001","78.805","0.002","86.651","0.002","5643","0.2","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C97.5 H67 N8 O2.75 -","- C97.5128 H67.0256 N8 O2.7564 -","- C195.026 H134.051 N16 O5.5128 -","2","1","","Lin, Yun-Hsien; Wang, Xiqu; Szczepanik, Dariusz W.; Wieczorkiewicz, Paweł A; Miljanić, Ognjen Š","Inverted azolophanes: alternant <i>o</i>-heteroarene/<i>p</i>-arene macrocycles.","Chemical science","2025","16","42","19967","19972","10.1039/d5sc05981j","","","1.54178","CuKα","","0.0851","0.0711","","","0.2284","0.2452","","","","","","1.063","","","","has coordinates,has disorder","303634","2025-11-29","18:28:43",""
"1575867","14.7923","0.0004","22.1907","0.0006","20.6091","0.0005","90","","95.371","0.002","90","","6735.3","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C69 H68 N8 O9 -","- C69 H68 N8 O9 -","- C276 H272 N32 O36 -","4","1","","Lin, Yun-Hsien; Wang, Xiqu; Szczepanik, Dariusz W.; Wieczorkiewicz, Paweł A; Miljanić, Ognjen Š","Inverted azolophanes: alternant <i>o</i>-heteroarene/<i>p</i>-arene macrocycles.","Chemical science","2025","16","42","19967","19972","10.1039/d5sc05981j","","","1.54178","CuKα","","0.0595","0.0539","","","0.1507","0.1566","","","","","","1.041","","","","has coordinates","303634","2025-11-29","18:28:43",""
"1575868","10.5545","0.0005","13.9466","0.0008","14.0437","0.0008","61.106","0.006","83.437","0.004","84.556","0.004","1796.2","0.2","169.98","0.1","169.98","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C44 H24 N12 O2 -","- C44 H24 N12 O2 -","- C88 H48 N24 O4 -","2","1","","Zheng, Canze; Zhu, Liwei; Zhang, Jianyu; Deng, Xin; Zhong, Zhengyao; He, Xiang; Zhang, Qiaoyun; Liu, Junkai; Meng, Miao; Lam, Jacky W. Y.; Li, Ying; Chen, Ming; Tang, Ben Zhong","An acceptor motor-driven electronic donor-acceptor supramolecular scaffold towards imaging-guided tumor therapy.","Chemical science","2025","16","42","20048","20060","10.1039/d5sc05770a","","x-ray","1.54184","CuKα","","0.0621","0.054","","","0.1442","0.1578","","","","","","1.046","","","","has coordinates","303631","2025-11-29","18:27:23",""
"1575869","7.2462","0.0003","10.5982","0.0005","21.3799","0.001","91.983","0.004","91.45","0.004","92.672","0.004","1638.54","0.13","169.99","0.1","169.99","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C38 H12 N12 -","- C38 H12 N12 -","- C76 H24 N24 -","2","1","","Zheng, Canze; Zhu, Liwei; Zhang, Jianyu; Deng, Xin; Zhong, Zhengyao; He, Xiang; Zhang, Qiaoyun; Liu, Junkai; Meng, Miao; Lam, Jacky W. Y.; Li, Ying; Chen, Ming; Tang, Ben Zhong","An acceptor motor-driven electronic donor-acceptor supramolecular scaffold towards imaging-guided tumor therapy.","Chemical science","2025","16","42","20048","20060","10.1039/d5sc05770a","","x-ray","1.54184","CuKα","","0.0727","0.0592","","","0.1735","0.1842","","","","","","1.076","","","","has coordinates,has disorder","303631","2025-11-29","18:27:24",""
"1575870","10.3821","0.0002","27.7393","0.0005","11.5669","0.0002","90","","102.05","0.001","90","","3257.78","0.1","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H33 N9 O6 -","- C36 H33 N9 O6 -","- C144 H132 N36 O24 -","4","1","","Izquierdo, Ignacio; Martínez-Castro, Laura; Ujaque, Gregori; Martínez-Martínez, Antonio J","Cooperative reversible assembly in triply interlocked Al<sub>6</sub>L<sub>4</sub> and Ga<sub>6</sub>L<sub>4</sub> cages.","Chemical science","2025","16","43","20406","20413","10.1039/d5sc05441a","","","0.71073","MoKα","","0.0654","0.0593","","","0.1491","0.1533","","","","","","1.127","","","","has coordinates","303623","2025-11-29","18:25:04",""
"1575871","21.3348","0.0004","21.5438","0.0004","21.7803","0.0004","78.682","0.001","78.712","0.001","81.95","0.001","9572.5","0.3","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C144.75 H155.1 Ga6 K9 N36 O58.05 -","- C144.75 H151 Ga6 K9.0004 N36 O56 -","- C289.5 H302 Ga12 K18.0008 N72 O112 -","2","1","","Izquierdo, Ignacio; Martínez-Castro, Laura; Ujaque, Gregori; Martínez-Martínez, Antonio J","Cooperative reversible assembly in triply interlocked Al<sub>6</sub>L<sub>4</sub> and Ga<sub>6</sub>L<sub>4</sub> cages.","Chemical science","2025","16","43","20406","20413","10.1039/d5sc05441a","","x-ray","0.71073","MoKα","","0.056","0.0489","","","0.147","0.1536","","","","","","1.04","","","","has coordinates,has disorder","303623","2025-11-29","18:25:06",""
"1575872","10.7223","0.0001","13.6952","0.0002","27.6926","0.0003","90","","90","","90","","4066.49","0.08","99.99","0.1","99.99","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H32 N2 O -","- C24 H32 N2 O -","- C192 H256 N16 O8 -","8","2","","Guan, Chun-Yan; Lu, Tao; Li, Ya; Liu, Chao-Hua; Xiao, Xiao; Mei, Guang-Jian","Catalytic enantioselective construction of two N-stereogenic centers of <i>ethano</i>- and <i>propano</i>-Tröger's bases.","Chemical science","2025","16","42","19683","19693","10.1039/d5sc05846e","","x-ray","1.54178","CuKα","","0.0418","0.0363","","","0.0935","0.0963","","","","","","1.058","","","","has coordinates","303637","2025-11-29","18:29:59",""
"1575873","22.9846","0.0004","6.2591","0.0001","11.5085","0.0002","90","","104.643","0.001","90","","1601.87","0.05","100","0.1","100","0.1","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C20 H22 N2 -","- C20 H22 N2 -","- C80 H88 N8 -","4","1","","Guan, Chun-Yan; Lu, Tao; Li, Ya; Liu, Chao-Hua; Xiao, Xiao; Mei, Guang-Jian","Catalytic enantioselective construction of two N-stereogenic centers of <i>ethano</i>- and <i>propano</i>-Tröger's bases.","Chemical science","2025","16","42","19683","19693","10.1039/d5sc05846e","","x-ray","1.54178","CuKα","","0.0375","0.0359","","","0.0925","0.094","","","","","","1.051","","","","has coordinates","303637","2025-11-29","18:30:02",""
"1575874","7.8403","0.0011","10.3493","0.0013","11.6156","0.0016","96.969","0.004","99.16","0.004","106.54","0.004","878","0.2","298","","298","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H25 N O2 -","- C20 H25 N O2 -","- C40 H50 N2 O4 -","2","1","","Paul, Hrishikesh; Chakraborty, Arijit; Mandal, Animesh; Das, Dibyangshu; Mahapatra, Sanat Kumar; Roy, Lisa; Chatterjee, Indranil","Electron donor-acceptor complex offers a diverse approach for carbonyl alkylative amination.","Chemical science","2025","16","42","20061","20072","10.1039/d5sc04087f","","x-ray","0.71073","MoKα","","0.0604","0.055","","","0.1389","0.1427","","","","","","1.094","","","","has coordinates","303627","2025-11-29","18:26:02",""
"1575876","13.0013","0.0004","13.0013","0.0004","9.349","0.0004","90","","90","","120","","1368.58","0.08","100","2","100","","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","","","- C3 H1.5 N1.5 O4.5 -","- C3 H1.5 N1.5 O4.5 -","- C36 H18 N18 O54 -","12","1","","Karak, Shayan; Khata, Soubhik; Ahmad, Shamim; Yadav, Abhishek Kumar; AlMasoud, Najla; Alomar, Taghrid S.; Dharavath, Srinivas; Reddy, C. Malla; Banerjee, Rahul","Tunable mechanics and energetics in structurally diverse TNPG-based metal organic networks.","Chemical science","2025","16","45","21508","21517","10.1039/d5sc04870b","","","0.71073","MoKα","","0.0391","0.0369","","","0.0863","0.0879","","","","","","1.09","","","","has coordinates","303666","2025-11-29","18:42:46",""
"1575877","9.7828","0.0015","9.7828","0.0015","11.823","0.002","90","","90","","120","","979.9","0.3","263","","263","","","","","","","","","5","P 31","P 31","144","","K-TNPG","","- C6 H0.33 K3 N3 O11 -","- C6 H4 K3 N3 O11 -","- C18 H12 K9 N9 O33 -","3","1","","Karak, Shayan; Khata, Soubhik; Ahmad, Shamim; Yadav, Abhishek Kumar; AlMasoud, Najla; Alomar, Taghrid S.; Dharavath, Srinivas; Reddy, C. Malla; Banerjee, Rahul","Tunable mechanics and energetics in structurally diverse TNPG-based metal organic networks.","Chemical science","2025","16","45","21508","21517","10.1039/d5sc04870b","","","0.71073","MoKα","","0.062","0.0541","","","0.1259","0.1326","","","","","","1.025","","","","has coordinates","303666","2025-11-29","18:42:47",""
"1575878","3.3844","0.0003","13.7682","0.0015","22.793","0.003","85.45","0.003","85.74","","82.94","","1048.5","0.2","304","2","304","","","","","","","","","5","P -1","-P 1","2","","Li-TNPG","","- C12 H6.8 Li6 N6 O21.4 -","- C12 Li6 N6 O18 -","- C24 Li12 N12 O36 -","2","1","","Karak, Shayan; Khata, Soubhik; Ahmad, Shamim; Yadav, Abhishek Kumar; AlMasoud, Najla; Alomar, Taghrid S.; Dharavath, Srinivas; Reddy, C. Malla; Banerjee, Rahul","Tunable mechanics and energetics in structurally diverse TNPG-based metal organic networks.","Chemical science","2025","16","45","21508","21517","10.1039/d5sc04870b","","","0.71073","MoKα","","0.1033","0.0667","","","0.1825","0.218","","","","","","1.13","","","","has coordinates","303666","2025-11-29","18:42:47",""
"1575879","12.1937","0.0002","12.6249","0.0002","6.7246","0.0001","90","","94.218","0.002","90","","1032.41","0.03","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Mixed MOF","","- C6 H2 K0.99 Li2 N3 O10 -","- C6 H2 K0.989 Li2 N3 O10 -","- C24 H8 K3.956 Li8 N12 O40 -","4","1","","Karak, Shayan; Khata, Soubhik; Ahmad, Shamim; Yadav, Abhishek Kumar; AlMasoud, Najla; Alomar, Taghrid S.; Dharavath, Srinivas; Reddy, C. Malla; Banerjee, Rahul","Tunable mechanics and energetics in structurally diverse TNPG-based metal organic networks.","Chemical science","2025","16","45","21508","21517","10.1039/d5sc04870b","","x-ray","1.54184","CuKα","","0.0446","0.0415","","","0.126","0.1297","","","","","","1.0441","","","","has coordinates","303666","2025-11-29","18:42:47",""
"1575880","13.5292","0.0013","25.354","0.002","3.386","0.0003","90","","90","","90","","1161.46","0.18","100","","100","","","","","","","","","5","P b a 2","P 2 -2ab","32","","Na-TNPG","","- C6 H4 N3 Na3.05 O11 -","- C6 H4 N3 Na3.05 O11 -","- C24 H16 N12 Na12.2 O44 -","4","1","","Karak, Shayan; Khata, Soubhik; Ahmad, Shamim; Yadav, Abhishek Kumar; AlMasoud, Najla; Alomar, Taghrid S.; Dharavath, Srinivas; Reddy, C. Malla; Banerjee, Rahul","Tunable mechanics and energetics in structurally diverse TNPG-based metal organic networks.","Chemical science","2025","16","45","21508","21517","10.1039/d5sc04870b","","","0.71073","MoKα","","0.0626","0.0617","","","0.143","0.1437","","","","","","1.0558","","","","has coordinates","303666","2025-11-29","18:42:47",""
"1575881","10.8371","0.0002","11.6905","0.0002","12.3737","0.0003","105.871","0.002","90.048","0.002","100.228","0.002","1481.9","0.05","120","1","120","1","","","","","","","","3","P 1","P 1","1","","","","- C34 H40 P2 -","- C34 H40 P2 -","- C68 H80 P4 -","2","2","","Senn, Sebastian; Mörsdorf, Jean-Marc; Bertrams, Maria-Sophie; Kerzig, Christoph; Ballmann, Joachim","π-Extended diphosphonium-bridged ladder stilbenes: water-soluble fluorophores with up to eight annulated rings.","Chemical science","2025","16","43","20517","20526","10.1039/d5sc03752b","","x-ray","1.54184","CuKα","","0.0509","0.0478","","","0.1225","0.1266","","","","","","1.025","","","","has coordinates,has disorder","303614","2025-11-29","18:21:31",""
"1575882","10.3156","0.0002","11.7343","0.0002","23.0477","0.0005","85.394","0.002","79.22","0.002","89.6","0.001","2731.66","0.09","120","1","120","1","","","","","","","","4","P -1","-P 1","2","","","","- C40 H52 Cl16 P2 -","- C40 H52 Cl16 P2 -","- C80 H104 Cl32 P4 -","2","1","","Senn, Sebastian; Mörsdorf, Jean-Marc; Bertrams, Maria-Sophie; Kerzig, Christoph; Ballmann, Joachim","π-Extended diphosphonium-bridged ladder stilbenes: water-soluble fluorophores with up to eight annulated rings.","Chemical science","2025","16","43","20517","20526","10.1039/d5sc03752b","","x-ray","1.54184","CuKα","","0.0644","0.0563","","","0.1502","0.1587","","","","","","1.041","","","","has coordinates,has disorder","303614","2025-11-29","18:21:36",""
"1575883","14.6337","0.0002","10.8769","0.0001","14.8298","0.0002","90","","109.952","0.002","90","","2218.77","0.05","120","1","120","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C38 H48 Cl10 P2 -","- C38 H48 Cl10 P2 -","- C76 H96 Cl20 P4 -","2","0.5","","Senn, Sebastian; Mörsdorf, Jean-Marc; Bertrams, Maria-Sophie; Kerzig, Christoph; Ballmann, Joachim","π-Extended diphosphonium-bridged ladder stilbenes: water-soluble fluorophores with up to eight annulated rings.","Chemical science","2025","16","43","20517","20526","10.1039/d5sc03752b","","x-ray","1.54184","CuKα","","0.0504","0.0435","","","0.1121","0.1181","","","","","","1.026","","","","has coordinates","303614","2025-11-29","18:21:36",""
"1575884","10.6719","0.0001","11.9792","0.0001","11.0995","0.0001","90","","104.055","0.001","90","","1376.49","0.02","120","1","120","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C34 H40 P2 -","- C34 H40 P2 -","- C68 H80 P4 -","2","0.5","","Senn, Sebastian; Mörsdorf, Jean-Marc; Bertrams, Maria-Sophie; Kerzig, Christoph; Ballmann, Joachim","π-Extended diphosphonium-bridged ladder stilbenes: water-soluble fluorophores with up to eight annulated rings.","Chemical science","2025","16","43","20517","20526","10.1039/d5sc03752b","","x-ray","1.54184","CuKα","","0.0415","0.0394","","","0.1068","0.109","","","","","","1.054","","","","has coordinates","303614","2025-11-29","18:21:37",""
"1575885","15.0324","0.0002","10.6843","0.0002","15.1691","0.0003","90","","112.535","0.002","90","","2250.3","0.08","120","1","120","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C38 H48 Cl10 P2 -","- C38 H48 Cl10 P2 -","- C76 H96 Cl20 P4 -","2","0.5","","Senn, Sebastian; Mörsdorf, Jean-Marc; Bertrams, Maria-Sophie; Kerzig, Christoph; Ballmann, Joachim","π-Extended diphosphonium-bridged ladder stilbenes: water-soluble fluorophores with up to eight annulated rings.","Chemical science","2025","16","43","20517","20526","10.1039/d5sc03752b","","x-ray","1.54184","CuKα","","0.05","0.0444","","","0.1168","0.1232","","","","","","1.024","","","","has coordinates","303614","2025-11-29","18:21:37",""
"1575886","7.2439","0.0001","18.9138","0.0002","11.3754","0.0001","90","","104.406","0.001","90","","1509.53","0.03","120","1","120","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H40 Cl2 P2 -","- C34 H40 Cl2 P2 -","- C68 H80 Cl4 P4 -","2","0.5","","Senn, Sebastian; Mörsdorf, Jean-Marc; Bertrams, Maria-Sophie; Kerzig, Christoph; Ballmann, Joachim","π-Extended diphosphonium-bridged ladder stilbenes: water-soluble fluorophores with up to eight annulated rings.","Chemical science","2025","16","43","20517","20526","10.1039/d5sc03752b","","x-ray","1.54184","CuKα","","0.0344","0.0338","","","0.0903","0.0908","","","","","","1.092","","","","has coordinates","303614","2025-11-29","18:21:37",""
"1575887","11.48118","0.00008","13.3743","0.00009","13.10304","0.00012","90","","102.637","0.0008","90","","1963.27","0.03","120","1","120","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H52 Cl2 O2 P2 -","- C44 H52 Cl2 O2 P2 -","- C88 H104 Cl4 O4 P4 -","2","0.5","","Senn, Sebastian; Mörsdorf, Jean-Marc; Bertrams, Maria-Sophie; Kerzig, Christoph; Ballmann, Joachim","π-Extended diphosphonium-bridged ladder stilbenes: water-soluble fluorophores with up to eight annulated rings.","Chemical science","2025","16","43","20517","20526","10.1039/d5sc03752b","","x-ray","1.54184","CuKα","","0.0534","0.0516","","","0.1355","0.1367","","","","","","1.149","","","","has coordinates,has disorder","303614","2025-11-29","18:21:37",""
"1575888","7.8799","0.0003","10.1289","0.0004","43.307","0.002","90","","91.842","0.005","90","","3454.7","0.2","120","1","120","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H52 Cl2 O4 P2 -","- C33 H52 Cl2 O4 P2 -","- C132 H208 Cl8 O16 P8 -","4","1","","Senn, Sebastian; Mörsdorf, Jean-Marc; Bertrams, Maria-Sophie; Kerzig, Christoph; Ballmann, Joachim","π-Extended diphosphonium-bridged ladder stilbenes: water-soluble fluorophores with up to eight annulated rings.","Chemical science","2025","16","43","20517","20526","10.1039/d5sc03752b","","x-ray","1.54184","CuKα","","0.0986","0.0668","","","0.1501","0.1708","","","","","","1.044","","","","has coordinates,has disorder","303614","2025-11-29","18:21:37",""
"1575889","7.56569","0.00018","21.6248","0.0005","21.1554","0.0005","90","","100.276","0.002","90","","3405.64","0.14","120","1","120","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H50 Cl2 O3 P2 -","- C33 H50 Cl2 O3 P2 -","- C132 H200 Cl8 O12 P8 -","4","1","","Senn, Sebastian; Mörsdorf, Jean-Marc; Bertrams, Maria-Sophie; Kerzig, Christoph; Ballmann, Joachim","π-Extended diphosphonium-bridged ladder stilbenes: water-soluble fluorophores with up to eight annulated rings.","Chemical science","2025","16","43","20517","20526","10.1039/d5sc03752b","","x-ray","1.54184","CuKα","","0.0978","0.0846","","","0.2241","0.2375","","","","","","1.056","","","","has coordinates,has disorder","303614","2025-11-29","18:21:37",""
"1575890","19.8117","0.0002","11.702","0.0001","17.5006","0.0001","90","","115.681","0.001","90","","3656.5","0.06","120","1","120","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H52 Cl2 O3 P2 -","- C37 H52 Cl2 O3 P2 -","- C148 H208 Cl8 O12 P8 -","4","1","","Senn, Sebastian; Mörsdorf, Jean-Marc; Bertrams, Maria-Sophie; Kerzig, Christoph; Ballmann, Joachim","π-Extended diphosphonium-bridged ladder stilbenes: water-soluble fluorophores with up to eight annulated rings.","Chemical science","2025","16","43","20517","20526","10.1039/d5sc03752b","","x-ray","1.54184","CuKα","","0.0367","0.0348","","","0.0962","0.0977","","","","","","1.058","","","","has coordinates","303614","2025-11-29","18:21:37",""
"1575891","10.7496","0.0004","20.9208","0.0008","11.5152","0.0005","90","","94.472","0.001","90","","2581.77","0.18","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 N O2 -","- C16 H13 N O2 -","- C128 H104 N8 O16 -","8","2","","Wang, Jin-Ping; Wu, Yichen; Wang, Peng","Modular and diverse synthesis of oxaheterocycles <i>via</i> Pd-catalyzed migratory 1,<i>n</i>-cycloannulation of alkenes.","Chemical science","2025","16","43","20292","20299","10.1039/d5sc06539a","","","0.71073","MoKα","","0.1232","0.0733","","","0.1496","0.1779","","","","","","1.079","","","","has coordinates","303618","2025-11-29","18:22:37",""
"1575892","9.5963","0.0005","9.8669","0.0005","18.7412","0.0009","90","","102.306","0.002","90","","1733.75","0.15","150","2","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H23 N O6 -","- C17 H23 N O6 -","- C68 H92 N4 O24 -","4","1","","Zhu, Hong-Yan; Wang, Xiao-Wei; Chen, Xin-Yu; Li, Lan-Yan; Li, Yi-Xin; Yu, Wei Dong; Yan, Jun; Liu, Chao","Dynamic structural engineering of ferrocene-functionalized Ag<sub>20</sub> nanoclusters for enhanced CO<sub>2</sub> electroreduction performance.","Chemical science","2025","16","43","20389","20396","10.1039/d5sc06306j","","","0.71073","MoKα","","0.1051","0.0639","","","0.1448","0.1664","","","","","","1.053","","","","has coordinates","303615","2025-11-29","18:21:52",""
"1575893","8.5255","0.0007","5.8901","0.0005","17.9337","0.0014","90","","102.863","0.003","90","","877.96","0.12","100","0.2","100","0.2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H19 Cl O2 -","- C23 H19 Cl O2 -","- C46 H38 Cl2 O4 -","2","1","","Zong, Yan; Zou, Xiaomei; Zhang, Shaoke; Chen, Gen-Qiang; Zhang, Xumu","Gram-scale synthesis of (+)-elacestrant streamlined by iridium-catalyzed dynamic kinetic asymmetric hydrogenation of α-substituted tetralones.","Chemical science","2025","16","43","20376","20381","10.1039/d5sc05497d","","x-ray","1.34138","GaKα","","0.0324","0.0306","","","0.0777","0.0789","","","","","","1.037","","","","has coordinates","303622","2025-11-29","18:24:36",""
"1575894","8.2953","0.0007","12.2541","0.001","14.4762","0.0012","90","","90","","90","","1471.5","0.2","100","0.2","100","0.2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H17 N O -","- C19 H17 N O -","- C76 H68 N4 O4 -","4","1","","Zong, Yan; Zou, Xiaomei; Zhang, Shaoke; Chen, Gen-Qiang; Zhang, Xumu","Gram-scale synthesis of (+)-elacestrant streamlined by iridium-catalyzed dynamic kinetic asymmetric hydrogenation of α-substituted tetralones.","Chemical science","2025","16","43","20376","20381","10.1039/d5sc05497d","","x-ray","1.34138","GaKα","","0.0294","0.0282","","","0.0698","0.0707","","","","","","1.044","","","","has coordinates","303622","2025-11-29","18:24:36",""
"1575895","20.8178","0.0018","22.433","0.002","32.586","0.003","101.552","0.006","96.617","0.005","113.548","0.005","13341","2","213","","213","","","","","","","","","4","P -1","-P 1","2","","DPP-Q-1","","- C248 H232 Cl24 N8 -","- C240 H224 N8 -","- C480 H448 N16 -","2","1","","Qiu, Shuhai; Zhang, Li; Qu, Da-Hui; Wang, Zhaohui","Supercycloalkanes: dihydropyrazine-embedded macrocycles with flexible conformations resembling cycloalkanes","Chemical Science","2025","16","43","20464","20472","10.1039/D5SC06636K","","","1.34139","GaKα","","0.2707","0.1672","","","0.3591","0.4284","","","","","","0.864","","","","has coordinates,has disorder","303619","2025-11-29","18:23:36",""
"1575896","19.0391","0.0008","36.5284","0.0014","38.0565","0.0016","90","","93.829","0.003","90","","26408","1.9","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","DPP-Q-2","","- C220.092 H180.075 N8 -","- C220.092 H180.076 N8 -","- C880.368 H720.304 N32 -","4","1","","Qiu, Shuhai; Zhang, Li; Qu, Da-Hui; Wang, Zhaohui","Supercycloalkanes: dihydropyrazine-embedded macrocycles with flexible conformations resembling cycloalkanes","Chemical Science","2025","16","43","20464","20472","10.1039/D5SC06636K","","","","","","0.169","","","","","","","","","","","","","","","has coordinates,has disorder","303619","2025-11-29","18:23:48",""
"1575897","47.414","0.005","19.421","0.002","46.795","0.006","90","","104.412","0.005","90","","41734","8","223","2","223","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","DPP-Q-C60","","- C480 H224 N8 -","- C480 H224 N8 -","- C1920 H896 N32 -","4","0.5","","Qiu, Shuhai; Zhang, Li; Qu, Da-Hui; Wang, Zhaohui","Supercycloalkanes: dihydropyrazine-embedded macrocycles with flexible conformations resembling cycloalkanes","Chemical Science","2025","16","43","20464","20472","10.1039/D5SC06636K","","x-ray","1.54178","CuKα","","0.2022","0.1694","","","0.3365","0.3548","","","","","","1.02","","","","has coordinates,has disorder","303619","2025-11-29","18:23:49",""
"1575898","31.155","0.003","37.425","0.004","33.005","0.003","90","","90","","90","","38483","7","193","","193","","","","","","","","","3","P n m a","-P 2ac 2n","62","","DPP-P","","- C345 H340 N10 -","- C345 H340 N10 -","- C1380 H1360 N40 -","4","0.5","","Qiu, Shuhai; Zhang, Li; Qu, Da-Hui; Wang, Zhaohui","Supercycloalkanes: dihydropyrazine-embedded macrocycles with flexible conformations resembling cycloalkanes","Chemical Science","2025","16","43","20464","20472","10.1039/D5SC06636K","","x-ray","1.34139","GaKα","","0.2219","0.1275","","","0.2731","0.3138","","","","","","1.08","","","","has coordinates,has disorder","303619","2025-11-29","18:23:50",""
"1575899","23.698","0.005","27.615","0.006","31.597","0.006","90","0.03","94.03","0.03","90","0.03","20627","7","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","DPP-H","","- C362 H338 Cl6 N12 -","- C362 H338 Cl6 N12 -","- C724 H676 Cl12 N24 -","2","0.5","","Qiu, Shuhai; Zhang, Li; Qu, Da-Hui; Wang, Zhaohui","Supercycloalkanes: dihydropyrazine-embedded macrocycles with flexible conformations resembling cycloalkanes","Chemical Science","2025","16","43","20464","20472","10.1039/D5SC06636K","","","1.34139","GaKα","","0.2899","0.166","","","0.3727","0.4246","","","","","","1.273","","","","has coordinates","303619","2025-11-29","18:23:55",""
"1575900","17.6459","0.0006","21.3539","0.0006","17.3232","0.0007","90","","120.68","0.005","90","","5613.9","0.4","99.8","0.9","99.8","0.9","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C66 H82 B N2 O3 Tb -","- C66 H82 B N2 O3 Tb -","- C264 H328 B4 N8 O12 Tb4 -","4","0.5","","Castellanos, Ernesto; Benner, Florian; Deshapriya, Saroshan; Demir, Selvan","Magnetic hysteresis in 1D organometallic lanthanide chain compounds containing 4,4'-bipyridine.","Chemical science","2025","16","40","18616","18631","10.1039/d5sc05460e","","x-ray","0.71073","MoKα","","0.0637","0.0592","","","0.139","0.1412","","","","","","1.185","","","","has coordinates,has disorder","303656","2025-11-29","18:36:42",""
"1575901","17.4145","0.0008","21.4824","0.0005","17.5221","0.0007","90","","119.353","0.006","90","","5713.5","0.5","100","0.1","100","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C66 H82 B Gd N2 O3 -","- C66 H82 B Gd N2 O3 -","- C264 H328 B4 Gd4 N8 O12 -","4","0.5","","Castellanos, Ernesto; Benner, Florian; Deshapriya, Saroshan; Demir, Selvan","Magnetic hysteresis in 1D organometallic lanthanide chain compounds containing 4,4'-bipyridine.","Chemical science","2025","16","40","18616","18631","10.1039/d5sc05460e","","","0.71073","MoKα","","0.0789","0.0586","","","0.1375","0.1581","","","","","","1.135","","","","has coordinates,has disorder","303656","2025-11-29","18:36:43",""
"1575902","17.6459","0.0006","21.3539","0.0006","17.3232","0.0007","90","","120.68","0.005","90","","5613.9","0.4","100","0.1","100","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C66 H82 B Dy N2 O3 -","- C66 H82 B Dy N2 O3 -","- C264 H328 B4 Dy4 N8 O12 -","4","0.5","","Castellanos, Ernesto; Benner, Florian; Deshapriya, Saroshan; Demir, Selvan","Magnetic hysteresis in 1D organometallic lanthanide chain compounds containing 4,4'-bipyridine.","Chemical science","2025","16","40","18616","18631","10.1039/d5sc05460e","","x-ray","1.54184","CuKα","","0.0609","0.0534","","","0.1429","0.1483","","","","","","1.064","","","","has coordinates,has disorder","303656","2025-11-29","18:36:43",""
"1575903","9.5963","0.0005","9.8669","0.0005","18.7412","0.0009","90","","102.306","0.002","90","","1733.75","0.15","150","2","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H23 N O6 -","- C17 H23 N O6 -","- C68 H92 N4 O24 -","4","1","","Ye, Yu-Meng; Li, Zhi","Construction of α-quinonyl-α-hydroxy/amino acid esters through the redox chain reaction.","Chemical science","2025","16","43","20564","20569","10.1039/d5sc05582b","","","0.71073","MoKα","","0.1051","0.0639","","","0.1448","0.1664","","","","","","1.053","","","","has coordinates","303620","2025-11-29","18:24:08",""
"1575904","13.7943","0.0007","10.0312","0.0005","13.8636","0.0007","90","","107.119","0.002","90","","1833.36","0.16","100","2","100.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C70 H13 N -","- C70 H13 N -","- C140 H26 N2 -","2","1","","Li, Jinrui; Zhuang, Kaipeng; Tao, Yunlong; Zhang, Qingfeng; Li, Hongguang; Hao, Jingcheng","Multilevel chirality transfer and second harmonic generation in mesoscopic double helical supramolecular self-assemblies of fullerene enantiomers.","Chemical science","2025","16","42","19843","19848","10.1039/d5sc05354d","","","1.54178","CuKα","","0.0603","0.0509","","","0.133","0.1357","","","","","","1.064","","","","has coordinates","303626","2025-11-29","18:25:54",""
"1575905","13.787","","10.026","","13.857","","90","","107.1","","90","","1830.76","","100","2","100.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C70 H13 N -","- C70 H13 N -","- C140 H26 N2 -","2","1","","Li, Jinrui; Zhuang, Kaipeng; Tao, Yunlong; Zhang, Qingfeng; Li, Hongguang; Hao, Jingcheng","Multilevel chirality transfer and second harmonic generation in mesoscopic double helical supramolecular self-assemblies of fullerene enantiomers.","Chemical science","2025","16","42","19843","19848","10.1039/d5sc05354d","","","1.54178","CuKα","","0.0822","0.0748","","","0.2134","0.224","","","","","","1.11","","","","has coordinates","303626","2025-11-29","18:25:54",""
"1575906","9.0878","0.0004","14.2865","0.0008","11.2346","0.0006","90","","95.771","0.002","90","","1451.23","0.13","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C34 H30 F N2 O5 P -","- C34 H30 F N2 O5 P -","- C68 H60 F2 N4 O10 P2 -","2","1","","Sun, Yu-Li; Dai, Lei; Zhu, Kun; Huang, Qingqin; Chen, Yushuang; Wu, Zugen; Lu, Yixin","Remote generation of N-N axial chirality through asymmetric hydrophosphinylation/hydroamination of maleimides.","Chemical science","2025","16","42","20042","20047","10.1039/d5sc06360d","","","0.71073","MoKα","","0.0477","0.0395","","","0.088","0.0966","","","","","","1.101","","","","has coordinates","303633","2025-11-29","18:28:20",""
"1575907","6.6376","0.0002","12.587","0.0003","25.9116","0.0007","90","","90","","90","","2164.85","0.1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H25 N3 O6 -","- C23 H25 N3 O6 -","- C92 H100 N12 O24 -","4","1","","Sun, Yu-Li; Dai, Lei; Zhu, Kun; Huang, Qingqin; Chen, Yushuang; Wu, Zugen; Lu, Yixin","Remote generation of N-N axial chirality through asymmetric hydrophosphinylation/hydroamination of maleimides.","Chemical science","2025","16","42","20042","20047","10.1039/d5sc06360d","","","1.54178","CuKα","","0.0239","0.0238","","","0.0604","0.0604","","","","","","1.07","","","","has coordinates,has disorder","303633","2025-11-29","18:28:20",""
"1575908","18.654","0.003","5.8046","0.0009","31.238","0.006","90","","95.121","0.018","90","","3368.9","1","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C19 H23 B N O2 -","- C19 H23 B N O2 -","- C152 H184 B8 N8 O16 -","8","1","","Zhao, Jinying; Yang, Qihang; Chen, Weibin; Xu, Nuo; Zhang, Qing; Zhao, Wenhao; Luo, Geng-Geng; Cui, Qiuhong; Huang, Jianhua","O-B ← N perturbed polycyclic aromatic hydrocarbons: a straightforward synthesis strategy, and their photophysical and optical waveguide properties.","Chemical science","2025","16","43","20445","20456","10.1039/d5sc05407a","","x-ray","0.71073","MoKα","","0.2477","0.1212","","","0.2403","0.3022","","","","","","1.056","","","","has coordinates","303624","2025-11-29","18:25:27",""
"1575909","14.164","0.0003","17.1362","0.0004","18.8082","0.0004","97.523","0.001","100.344","0.001","113.792","0.001","4002.98","0.16","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C50.5 H43 B2 Cl N2 O4 -","- C50.5 H43 B2 Cl N2 O4 -","- C202 H172 B8 Cl4 N8 O16 -","4","2","","Zhao, Jinying; Yang, Qihang; Chen, Weibin; Xu, Nuo; Zhang, Qing; Zhao, Wenhao; Luo, Geng-Geng; Cui, Qiuhong; Huang, Jianhua","O-B ← N perturbed polycyclic aromatic hydrocarbons: a straightforward synthesis strategy, and their photophysical and optical waveguide properties.","Chemical science","2025","16","43","20445","20456","10.1039/d5sc05407a","","","1.54178","CuKα","","0.0648","0.0549","","","0.1491","0.1585","","","","","","1.033","","","","has coordinates,has disorder","303624","2025-11-29","18:25:27",""
"1575910","18.6896","0.0002","39.6256","0.0004","31.8611","0.0004","90","","93.602","0.001","90","","23549.3","0.5","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C222 H295 F48 N9 O42 P8 -","- C222 H295 F48 N9 O42 P8 -","- C888 H1180 F192 N36 O168 P32 -","4","1","","Yu, Wei; Hu, Ming; Wen, Xin; Xu, Zhi-Rong; Liu, Minghua; Zheng, Yan-Song","CPL on/off switching by enantiomer encapsulation in TPE heterochiral molecular cages.","Chemical science","2025","16","44","20924","20930","10.1039/d5sc05405b","","x-ray","1.54184","CuKα","","0.1222","0.1002","","","0.2864","0.3079","","","","","","1.046","","","","has coordinates,has disorder","303593","2025-11-29","18:12:42",""
"1575911","43.8342","0.0009","23.9492","0.0004","18.8318","0.0002","90","","90","","90","","19769.5","0.6","99.99","0.1","99.99","0.1","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C11 H10 F6 N O P -","- C8.09412 H8.65882 F2.25882 N0.752941 P0.376471 -","- C688 H736 F192 N64 P32 -","85","5.3125","","Yu, Wei; Hu, Ming; Wen, Xin; Xu, Zhi-Rong; Liu, Minghua; Zheng, Yan-Song","CPL on/off switching by enantiomer encapsulation in TPE heterochiral molecular cages.","Chemical science","2025","16","44","20924","20930","10.1039/d5sc05405b","","x-ray","1.54184","CuKα","","0.137","0.1272","","","0.4142","0.4252","","","","","","1.941","","","","has coordinates","303593","2025-11-29","18:12:43",""
"1575912","5.3502","0.0015","17.774","0.005","19.868","0.006","90","","90","","90","","1889.3","0.9","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H22 O S2 -","- C22 H22 O S2 -","- C88 H88 O4 S8 -","4","1","","Chakrabarty, Aditya; Chatterjee, Ritwika; Mukherjee, Santanu","Enantioselective homocoupling of allenylic alcohols through divergent cooperative catalysis.","Chemical science","2025","16","43","20495","20506","10.1039/d5sc02831k","","","0.71073","MoKα","","0.0417","0.032","","","0.0684","0.0721","","","","","","1.068","","","","has coordinates","303616","2025-11-29","18:22:04",""
"1575919","4.66104","0.00005","15.4164","0.0002","12.48705","0.00016","90","","93.9291","0.0011","90","","895.166","0.019","120","0.1","120","0.1","","","","","","","","6","I 1 2/m 1","-I 2y","12","","","","- C16 H14 Br2 Cu F4 O4 -","- C16 H14 Br2 Cu F4 O4 -","- C32 H28 Br4 Cu2 F8 O8 -","2","0.25","","Sasikumar, Anagha; Novotný, Jan; Chyba, Jan; Kobera, Libor; Marek, Radek","Supramolecular covalency of halogen bonds revealed by NMR contact shifts in paramagnetic cocrystals","Chemical Science","2025","16","43","20239","20244","10.1039/D5SC05769H","","","1.54184","CuKα","","0.0217","0.0215","","","0.0569","0.057","","","","","","1.084","","","","has coordinates","303621","2025-11-29","18:24:21",""
"1575920","4.67274","0.00005","17.31552","0.00018","13.70775","0.00015","90","","90.6808","0.0009","90","","1109.03","0.02","120","0.1","120","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 F4 I2 Ni O6 -","- C16 H18 F4 I2 Ni O6 -","- C32 H36 F8 I4 Ni2 O12 -","2","0.5","","Sasikumar, Anagha; Novotný, Jan; Chyba, Jan; Kobera, Libor; Marek, Radek","Supramolecular covalency of halogen bonds revealed by NMR contact shifts in paramagnetic cocrystals","Chemical Science","2025","16","43","20239","20244","10.1039/D5SC05769H","","","1.54184","CuKα","","0.0275","0.027","","","0.0758","0.0761","","","","","","1.084","","","","has coordinates","303621","2025-11-29","18:24:21",""
"1575921","4.73648","0.00019","15.3598","0.0005","12.6168","0.0005","90","","94.786","0.004","90","","914.69","0.06","120.02","0.1","120.02","0.1","","","","","","","","6","I 1 2/m 1","-I 2y","12","","","","- C16 H14 Br2 F4 O4 Pd -","- C16 H14 Br2 F4 O4 Pd -","- C32 H28 Br4 F8 O8 Pd2 -","2","0.25","","Sasikumar, Anagha; Novotný, Jan; Chyba, Jan; Kobera, Libor; Marek, Radek","Supramolecular covalency of halogen bonds revealed by NMR contact shifts in paramagnetic cocrystals","Chemical Science","2025","16","43","20239","20244","10.1039/D5SC05769H","","","1.54184","CuKα","","0.0441","0.044","","","0.131","0.1311","","","","","","1.15","","","","has coordinates","303621","2025-11-29","18:24:22",""
"1575922","27.1369","0.0014","8.345","0.0003","8.1438","0.0003","90","","90","","90","","1844.22","0.13","300.15","","300.15","","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C6 H18 Br4 Cl2 N2 Pb -","- C6 H18 Br4 Cl2 N2 Pb -","- C24 H72 Br16 Cl8 N8 Pb4 -","4","0.5","","He, Yueyue; Wu, Shufang; Li, Xiaofei; Wang, Qi; Zhao, Ruifang; Pan, Lin; Qin, Chengbing; Zhang, Xian-Ming; Fu, Dongying","Constructing a photoferroelectric semiconductor by regulating non-covalent interactions through halogen substitution.","Chemical science","2025","16","44","20948","20958","10.1039/d5sc05946a","","","0.71073","MoKα","","0.0803","0.0577","","","0.1512","0.1597","","","","","","1.008","","","","has coordinates","303597","2025-11-29","18:14:32",""
"1575923","27.3369","0.0018","8.3933","0.0004","8.1734","0.0004","90","","90","","90","","1875.36","0.18","355","2","355","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C6 H18 Br4 Cl2 N2 Pb -","- C6 H18 Br4 Cl2 N2 Pb -","- C24 H72 Br16 Cl8 N8 Pb4 -","4","0.5","","He, Yueyue; Wu, Shufang; Li, Xiaofei; Wang, Qi; Zhao, Ruifang; Pan, Lin; Qin, Chengbing; Zhang, Xian-Ming; Fu, Dongying","Constructing a photoferroelectric semiconductor by regulating non-covalent interactions through halogen substitution.","Chemical science","2025","16","44","20948","20958","10.1039/d5sc05946a","","","0.71073","MoKα","","0.0915","0.0698","","","0.2085","0.2274","","","","","","0.902","","","","has coordinates","303597","2025-11-29","18:14:32",""
"1575924","8.3957","0.0005","8.2101","0.0005","27.289","0.002","90","","90","","90","","1881","0.2","375","2","375","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C6 H18 Br4 Cl2 N2 Pb -","- C6 H18 Br4 Cl2 N2 Pb -","- C24 H72 Br16 Cl8 N8 Pb4 -","4","0.5","","He, Yueyue; Wu, Shufang; Li, Xiaofei; Wang, Qi; Zhao, Ruifang; Pan, Lin; Qin, Chengbing; Zhang, Xian-Ming; Fu, Dongying","Constructing a photoferroelectric semiconductor by regulating non-covalent interactions through halogen substitution.","Chemical science","2025","16","44","20948","20958","10.1039/d5sc05946a","","","0.71073","MoKα","","0.1003","0.073","","","0.194","0.2109","","","","","","1.14","","","","has coordinates,has disorder","303597","2025-11-29","18:14:32",""
"1575925","13.8349","0.0016","24.4206","0.0016","18.1092","0.0018","90","","109.12","0.011","90","","5780.8","1","149.9","0.2","149.9","0.2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C88.36 H20.36 Cl7.09 O8 -","- C86 H18 O8 -","- C344 H72 O32 -","4","1","","Steudel, Fabian M.; Sabrià, Clara; Piane, Massimo Delle; Feixas, Ferran; Ribas, Xavi; Pavan, Giovanni M.; von Delius, Max","Observation of shuttling on the one-second timescale in a [10]cycloparaphenylene/C<sub>60</sub> [2]catenane.","Chemical science","2025","16","46","21908","21916","10.1039/d5sc05734e","","x-ray","1.54184","CuKα","","0.1922","0.1296","","","0.3363","0.4202","","","","","","1.063","","","","has coordinates","303648","2025-11-29","18:33:43",""
"1575926","12.8371","0.0006","27.752","0.003","16.345","0.002","90","","104.348","0.008","90","","5641.4","1","150","0.14","150","0.14","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C88 H20 Cl6 O8 -","- C88 H20 Cl6 O8 -","- C352 H80 Cl24 O32 -","4","1","","Steudel, Fabian M.; Sabrià, Clara; Piane, Massimo Delle; Feixas, Ferran; Ribas, Xavi; Pavan, Giovanni M.; von Delius, Max","Observation of shuttling on the one-second timescale in a [10]cycloparaphenylene/C<sub>60</sub> [2]catenane.","Chemical science","2025","16","46","21908","21916","10.1039/d5sc05734e","","x-ray","1.54184","CuKα","","0.2319","0.1031","","","0.2272","0.3138","","","","","","0.937","","","","has coordinates","303648","2025-11-29","18:33:44",""
"1575927","15.9594","0.0012","16.2718","0.0012","20.8553","0.0015","90.963","0.005","94.519","0.005","97.05","0.005","5356.3","0.7","161","","161","","","","","","","","","4","P -1","-P 1","2","","Co-crystal of [10]cycloparaphenylene and in,in-trans-3 bis(methyl (4-ethynylbenzyl) malonato)-C60","","- C149.83 H60.86 Cl11.85 O8 -","- C145.883 H56.909 O8 -","- C291.766 H113.818 O16 -","2","1","","Steudel, Fabian M.; Sabrià, Clara; Piane, Massimo Delle; Feixas, Ferran; Ribas, Xavi; Pavan, Giovanni M.; von Delius, Max","Observation of shuttling on the one-second timescale in a [10]cycloparaphenylene/C<sub>60</sub> [2]catenane.","Chemical science","2025","16","46","21908","21916","10.1039/d5sc05734e","","","1.54178","CuKα","","0.1424","0.0816","","","0.2119","0.259","","","","","","0.928","","","","has coordinates,has disorder","303648","2025-11-29","18:33:44",""
"1575928","13.7994","0.0003","24.8092","0.0004","14.2323","0.0003","90","","112.803","0.003","90","","4491.64","0.18","139.99","0.1","139.99","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C104 H91 Cs2 O5 Pr Si5 -","- C104 H91 Cs2 O5 Pr Si5 -","- C208 H182 Cs4 O10 Pr2 Si10 -","2","1","","Pandey, Pragati; Keener, Megan; Rajeshkumar, Thayalan; Scopelliti, Rosario; Sienkiewicz, Andrzej; Zivkovic, Ivica; Maron, Laurent; Mazzanti, Marinella","Accessing homoleptic neutral and anionic five-coordinate Pr(iv) siloxide complexes.","Chemical science","2025","16","44","21056","21067","10.1039/d5sc05500h","","x-ray","1.54184","CuKα","","0.0938","0.0865","","","0.2199","0.2294","","","","","","1.062","","","","has coordinates","303595","2025-11-29","18:13:55",""
"1575929","24.1029","0.0003","13.5279","0.0002","40.7549","0.0006","90","","96.2414","0.0015","90","","13209.8","0.3","139.99","0.1","139.99","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H108 O16 Pr Si4 -","- C48 H108 O16 Pr Si4 -","- C384 H864 O128 Pr8 Si32 -","8","1","","Pandey, Pragati; Keener, Megan; Rajeshkumar, Thayalan; Scopelliti, Rosario; Sienkiewicz, Andrzej; Zivkovic, Ivica; Maron, Laurent; Mazzanti, Marinella","Accessing homoleptic neutral and anionic five-coordinate Pr(iv) siloxide complexes.","Chemical science","2025","16","44","21056","21067","10.1039/d5sc05500h","","x-ray","1.54184","CuKα","","0.077","0.0684","","","0.141","0.1454","","","","","","1.183","","","","has coordinates,has disorder","303595","2025-11-29","18:13:55",""
"1575930","25.9527","0.0005","14.2269","0.0003","27.4839","0.0005","90","","98.0362","0.0017","90","","10048.1","0.3","139.99","0.1","139.99","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C72 H162 O24 Pr2 Si6 -","- C72 H162 O24 Pr2 Si6 -","- C288 H648 O96 Pr8 Si24 -","4","0.5","","Pandey, Pragati; Keener, Megan; Rajeshkumar, Thayalan; Scopelliti, Rosario; Sienkiewicz, Andrzej; Zivkovic, Ivica; Maron, Laurent; Mazzanti, Marinella","Accessing homoleptic neutral and anionic five-coordinate Pr(iv) siloxide complexes.","Chemical science","2025","16","44","21056","21067","10.1039/d5sc05500h","","x-ray","1.54184","CuKα","","0.0466","0.0399","","","0.0966","0.1012","","","","","","1.041","","","","has coordinates,has disorder","303595","2025-11-29","18:13:56",""
"1575931","19.0205","0.0003","23.9582","0.0007","22.386","0.0004","90","","92.3363","0.0016","90","","10192.8","0.4","140","0.1","140","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C118 H107 K2 O5 Pr Si5 -","- C118 H107 K2 O5 Pr Si5 -","- C472 H428 K8 O20 Pr4 Si20 -","4","1","","Pandey, Pragati; Keener, Megan; Rajeshkumar, Thayalan; Scopelliti, Rosario; Sienkiewicz, Andrzej; Zivkovic, Ivica; Maron, Laurent; Mazzanti, Marinella","Accessing homoleptic neutral and anionic five-coordinate Pr(iv) siloxide complexes.","Chemical science","2025","16","44","21056","21067","10.1039/d5sc05500h","","x-ray","1.54184","CuKα","","0.0997","0.0588","","","0.1196","0.1401","","","","","","1.006","","","","has coordinates,has disorder","303595","2025-11-29","18:13:56",""
"1575932","13.73996","0.00012","24.71494","0.00017","14.12364","0.00013","90","","113.975","0.0011","90","","4382.36","0.07","139.99","0.1","139.99","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C104 H91 K O5 Pr Si5 -","- C104 H91 K O5 Pr Si5 -","- C208 H182 K2 O10 Pr2 Si10 -","2","1","","Pandey, Pragati; Keener, Megan; Rajeshkumar, Thayalan; Scopelliti, Rosario; Sienkiewicz, Andrzej; Zivkovic, Ivica; Maron, Laurent; Mazzanti, Marinella","Accessing homoleptic neutral and anionic five-coordinate Pr(iv) siloxide complexes.","Chemical science","2025","16","44","21056","21067","10.1039/d5sc05500h","","x-ray","1.54184","CuKα","","0.046","0.0456","","","0.1153","0.1155","","","","","","1.163","","","","has coordinates","303595","2025-11-29","18:13:56",""
"1575933","14.1726","0.0002","28.1742","0.0007","26.7761","0.0004","90","","103.81","0.0017","90","","10382.7","0.3","140","0.1","140","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C112 H103 Cl4 K O11 Pr Si5 -","- C111 H101 Cl2 K O11 Pr Si5 -","- C444 H404 Cl8 K4 O44 Pr4 Si20 -","4","1","","Pandey, Pragati; Keener, Megan; Rajeshkumar, Thayalan; Scopelliti, Rosario; Sienkiewicz, Andrzej; Zivkovic, Ivica; Maron, Laurent; Mazzanti, Marinella","Accessing homoleptic neutral and anionic five-coordinate Pr(iv) siloxide complexes.","Chemical science","2025","16","44","21056","21067","10.1039/d5sc05500h","","x-ray","1.54184","CuKα","","0.1329","0.0711","","","0.1828","0.2107","","","","","","1.013","","","","has coordinates","303595","2025-11-29","18:13:56",""
"1575934","13.6841","0.0009","23.2083","0.0015","27.761","0.002","109.761","0.006","95.331","0.006","90.676","0.005","8252.6","1","200","0.11","200","0.11","","","","","","","","6","P -1","-P 1","2","","","","- C93.5 H79 Ce K2 O5 Si5 -","- C90 H75 Ce K2 O5 Si5 -","- C360 H300 Ce4 K8 O20 Si20 -","4","2","","Pandey, Pragati; Keener, Megan; Rajeshkumar, Thayalan; Scopelliti, Rosario; Sienkiewicz, Andrzej; Zivkovic, Ivica; Maron, Laurent; Mazzanti, Marinella","Accessing homoleptic neutral and anionic five-coordinate Pr(iv) siloxide complexes.","Chemical science","2025","16","44","21056","21067","10.1039/d5sc05500h","","x-ray","1.54184","CuKα","","0.234","0.0966","","","0.1855","0.274","","","","","","0.954","","","","has coordinates","303595","2025-11-29","18:13:56",""
"1575935","13.7546","0.0018","24.859","0.003","14.1649","0.0018","90","","113.942","0.016","90","","4426.6","1.1","140","0.1","140","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C104 H91 Cs O5 Pr Si5 -","- C104 H91 Cs O5 Pr Si5 -","- C208 H182 Cs2 O10 Pr2 Si10 -","2","1","","Pandey, Pragati; Keener, Megan; Rajeshkumar, Thayalan; Scopelliti, Rosario; Sienkiewicz, Andrzej; Zivkovic, Ivica; Maron, Laurent; Mazzanti, Marinella","Accessing homoleptic neutral and anionic five-coordinate Pr(iv) siloxide complexes.","Chemical science","2025","16","44","21056","21067","10.1039/d5sc05500h","","x-ray","1.54184","CuKα","","0.1165","0.0714","","","0.1436","0.1784","","","","","","0.9344","","","","has coordinates","303595","2025-11-29","18:13:56",""
"1575936","9.47","0.0004","13.1031","0.0004","21.8976","0.0008","75.406","0.001","81.819","0.001","69.724","0.001","2462.06","0.16","193","","193","","","","","","","","","5","P -1","-P 1","2","","bth","","- C90 H98 N4 O12 S2 -","- C90 H94 N4 O12 S2 -","- C90 H94 N4 O12 S2 -","1","0.5","","Liu, Ao; Xin, Youtao; Zhu, Yong-Kang; Jin, Yuan-Hang; Yang, Yue; Chen, Hongzhu; Li, Meng-Hao; Lou, Xin-Yue; Wang, Xin; Gao, Hui; Yang, Ying-Wei","Macrocycle formation-mediated augmentation in reactive oxygen species production.","Chemical science","2025","16","44","20968","20977","10.1039/d5sc06637a","","","0.71073","MoKα","","0.1081","0.0681","","","0.176","0.1993","","","","","","1.043","","","","has coordinates","303594","2025-11-29","18:12:56",""
"1575937","11.037","0.0009","11.0772","0.001","15.124","0.0013","99.784","0.003","109.902","0.003","105.913","0.003","1599.6","0.2","173","","173","","","","","","","","","4","P -1","-P 1","2","","c","","- C76 H72 Cl4 O8 -","- C76 H72 Cl4 O8 -","- C76 H72 Cl4 O8 -","1","0.5","","Liu, Ao; Xin, Youtao; Zhu, Yong-Kang; Jin, Yuan-Hang; Yang, Yue; Chen, Hongzhu; Li, Meng-Hao; Lou, Xin-Yue; Wang, Xin; Gao, Hui; Yang, Ying-Wei","Macrocycle formation-mediated augmentation in reactive oxygen species production.","Chemical science","2025","16","44","20968","20977","10.1039/d5sc06637a","","","0.71073","MoKα","","0.0808","0.0572","","","0.1463","0.1643","","","","","","1.042","","","","has coordinates","303594","2025-11-29","18:12:58",""
"1575938","14.788","0.003","14.851","0.003","21.736","0.004","93.26","0.005","106.45","0.005","118.165","0.005","3932.3","1.4","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C89.5 H101.5 O9.25 -","- C82 H84 O8 -","- C164 H168 O16 -","2","1","","Liu, Ao; Xin, Youtao; Zhu, Yong-Kang; Jin, Yuan-Hang; Yang, Yue; Chen, Hongzhu; Li, Meng-Hao; Lou, Xin-Yue; Wang, Xin; Gao, Hui; Yang, Ying-Wei","Macrocycle formation-mediated augmentation in reactive oxygen species production.","Chemical science","2025","16","44","20968","20977","10.1039/d5sc06637a","","","0.71073","MoKα","","0.2302","0.1416","","","0.3471","0.4308","","","","","","0.996","","","","has coordinates","303594","2025-11-29","18:12:58",""
"1575939","13.9352","0.0016","46.623","0.006","22.935","0.003","90","","102.658","0.004","90","","14539","3","273.15","","273.15","","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C128 H103 B F23 N14 O2 P3.5 Zn2 -","- C128 H103 B F23 N14 O2 P3.5 Zn2 -","- C512 H412 B4 F92 N56 O8 P14 Zn8 -","4","2","","Han, Ningxu; Ma, Jianjun; Yu, Hao; Shi, Junjuan; Dai, Manman; Guo, Ziteng; Gao, Zinuo; Zhang, Houyu; Wang, Ming","Isomeric decker metallo-supramolecules with tunable luminescence and chiroptical properties.","Chemical science","2025","16","44","21010","21019","10.1039/d5sc04596g","","","0.68883","Synchrotron","","0.0674","0.0599","","","0.1636","0.1694","","","","","","1.05","","","","has coordinates","303591","2025-11-29","18:11:53",""
"1575946","16.6502","0.0007","7.3452","0.0003","21.915","0.0009","90","","97.814","0.001","90","","2655.3","0.19","100.15","","100","2","","","","","","","synthesized by the authors","3","C 1 2 1","C 2y","5","","","","- C19 H12 O2 -","- C19 H12 O2 -","- C152 H96 O16 -","8","2","","Dočekal, Vojtěch; Kurčina, Adam; Císařová, Ivana; Veselý, Jan","Enantioselective lactonization catalyzed by chiral N-heterocyclic carbenes enables access to inherently chiral eight-membered lactones.","Chemical science","2025","16","37","17369","17373","10.1039/d5sc05037e","","x-ray","1.54178","CuKα","","0.03","0.03","","","0.0796","0.0796","","","","","","1.039","","","","has coordinates","302368","2025-10-04","10:34:39",""
"1575947","7.9507","0.0002","6.6959","0.0003","16.8907","0.0006","90","","95.01","0.001","90","","895.78","0.06","220","2","220","2","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C26 H17 N -","- C26 H17 N -","- C52 H34 N2 -","2","1","","Zeng, Chongyang; Liang, Shan; Lin, Jieyu; Liu, Wei; Xie, Zhixin; Cai, Wenxuan; Redshaw, Carl; Feng, Xing; Tang, Ben Zhong","Achieving controllable packing mode and broad colour-tunable emission <i>via</i> the end group effect in pyrene-based aggregation-induced emission luminogens.","Chemical science","2025","16","36","16719","16728","10.1039/d5sc03105b","","","0.71073","MoKα","","0.0974","0.0639","","","0.1565","0.1935","","","","","","1.091","","","","has coordinates","302369","2025-10-04","10:35:59",""
"1575948","8.102","0.002","34.566","0.012","13.851","0.005","90","","100.625","0.011","90","","3813","2","300.01","","300.01","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C52 H28 F6 N2 -","- C52 H28 F6 N2 -","- C208 H112 F24 N8 -","4","1","","Zeng, Chongyang; Liang, Shan; Lin, Jieyu; Liu, Wei; Xie, Zhixin; Cai, Wenxuan; Redshaw, Carl; Feng, Xing; Tang, Ben Zhong","Achieving controllable packing mode and broad colour-tunable emission <i>via</i> the end group effect in pyrene-based aggregation-induced emission luminogens.","Chemical science","2025","16","36","16719","16728","10.1039/d5sc03105b","","","0.71073","MoKα","","0.1947","0.1421","","","0.2438","0.2949","","","","","","0.925","","","","has coordinates","302369","2025-10-04","10:36:01",""
"1575949","7.5761","0.0002","14.0077","0.0006","23.4633","0.0006","90","","90","","90","","2490.01","0.14","300.01","","300.01","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C37 H23 N -","- C37 H23 N -","- C148 H92 N4 -","4","1","","Zeng, Chongyang; Liang, Shan; Lin, Jieyu; Liu, Wei; Xie, Zhixin; Cai, Wenxuan; Redshaw, Carl; Feng, Xing; Tang, Ben Zhong","Achieving controllable packing mode and broad colour-tunable emission <i>via</i> the end group effect in pyrene-based aggregation-induced emission luminogens.","Chemical science","2025","16","36","16719","16728","10.1039/d5sc03105b","","","0.71073","MoKα","","0.1434","0.0776","","","0.1434","0.1885","","","","","","1.028","","","","has coordinates","302369","2025-10-04","10:36:01",""
"1575950","25.3554","0.0012","7.6892","0.0002","25.5978","0.001","90","","116.939","0.005","90","","4449.1","0.4","99.97","0.17","99.97","0.17","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C60.8 H51.6 Cl1.6 N2 O2 -","- C60.8 H51.6 Cl1.6 N2 O2 -","- C243.2 H206.4 Cl6.4 N8 O8 -","4","1","","Li, Zuhao; Zhou, Zhiruo; Yang, Kun; Yao, Yifan; Zhai, Yaxin; Wang, Dong; Zeng, Zebing","Dual-channel deep-NIR-emissive N-embedded PAHs with hybridized local and charge-transfer excited-state.","Chemical science","2025","16","36","16792","16800","10.1039/d5sc01897h","","x-ray","1.54184","CuKα","","0.1455","0.0923","","","0.1543","0.1744","","","","","","1.086","","","","has coordinates,has disorder","302370","2025-10-04","10:36:51",""
"1575951","36.0331","0.0011","21.65","0.0007","13.5723","0.0005","90","","108.747","0.002","90","","10026.3","0.6","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C53.5 H32 Cl6 N2 O2 -","- C52 H32 N2 O2 -","- C416 H256 N16 O16 -","8","1","","Li, Zuhao; Zhou, Zhiruo; Yang, Kun; Yao, Yifan; Zhai, Yaxin; Wang, Dong; Zeng, Zebing","Dual-channel deep-NIR-emissive N-embedded PAHs with hybridized local and charge-transfer excited-state.","Chemical science","2025","16","36","16792","16800","10.1039/d5sc01897h","","","1.54178","CuKα","","0.1562","0.1119","","","0.3361","0.3848","","","","","","1.196","","","","has coordinates","302370","2025-10-04","10:36:52",""
"1575952","10.0703","0.0002","14.3818","0.0003","22.0499","0.0005","105.166","0.001","98.44","0.001","91.382","0.001","3042.32","0.11","150.15","","150.15","","","","","","","","","3","P -1","-P 1","2","","","","- C82 H80 N2 -","- C82 H80 N2 -","- C164 H160 N4 -","2","1","","Li, Zuhao; Zhou, Zhiruo; Yang, Kun; Yao, Yifan; Zhai, Yaxin; Wang, Dong; Zeng, Zebing","Dual-channel deep-NIR-emissive N-embedded PAHs with hybridized local and charge-transfer excited-state.","Chemical science","2025","16","36","16792","16800","10.1039/d5sc01897h","","","1.54178","CuKα","","0.0545","0.0418","","","0.1144","0.124","","","","","","1.044","","","","has coordinates","302370","2025-10-04","10:36:53",""
"1575958","28.0174","0.0005","27.1277","0.0007","33.8432","0.0006","90","","94.1706","0.0017","90","","25654.3","0.9","199.99","0.1","199.99","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C122.3 H167.2 N10 O37.3 -","- C115 H138 N10 O30 -","- C920 H1104 N80 O240 -","8","1","","Farooq, Saquib; Crochet, Aurelien; Kilbinger, Andreas F. M.","Design and synthesis of macrocycles with tuneable diameters and helical foldamers with customizable peripheral side chains.","Chemical science","2025","16","43","20570","20579","10.1039/d5sc04138d","","x-ray","1.54184","CuKα","","0.181","0.14","","","0.3976","0.4299","","","","","","1.608","","","","has coordinates,has disorder","303613","2025-11-29","18:21:07",""
"1575959","28.9569","0.0008","28.9569","0.0008","13.4749","0.0008","90","","90","","90","","11298.7","0.8","140","0.1","140","0.1","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","","- C102 H40 N8 O34 -","- C92 N8 O24 -","- C368 N32 O96 -","4","0.25","","Farooq, Saquib; Crochet, Aurelien; Kilbinger, Andreas F. M.","Design and synthesis of macrocycles with tuneable diameters and helical foldamers with customizable peripheral side chains.","Chemical science","2025","16","43","20570","20579","10.1039/d5sc04138d","","x-ray","1.54184","CuKα","","0.2433","0.1626","","","0.4253","0.4878","","","","","","1.517","","","","has coordinates","303613","2025-11-29","18:21:08",""
"1575960","34.872","0.0018","10.7892","0.0006","35.963","0.002","90","","91.767","0.004","90","","13524.3","1.3","250","2","250","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C108 H146 N12 O36 S8 -","- C92 H100 N12 O28 -","- C368 H400 N48 O112 -","4","0.5","","Farooq, Saquib; Crochet, Aurelien; Kilbinger, Andreas F. M.","Design and synthesis of macrocycles with tuneable diameters and helical foldamers with customizable peripheral side chains.","Chemical science","2025","16","43","20570","20579","10.1039/d5sc04138d","","x-ray","1.54186","CuKα","","0.2111","0.1912","","","0.4374","0.4484","","","","","","1.358","","","","has coordinates","303613","2025-11-29","18:21:08",""
"1575961","32.3295","0.0016","8.6597","0.0004","16.7533","0.0008","90","","103.483","0.004","90","","4561","0.4","250","2","250","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C23 H30 N2 O7 -","- C23 H30 N2 O7 -","- C184 H240 N16 O56 -","8","1","","Farooq, Saquib; Crochet, Aurelien; Kilbinger, Andreas F. M.","Design and synthesis of macrocycles with tuneable diameters and helical foldamers with customizable peripheral side chains.","Chemical science","2025","16","43","20570","20579","10.1039/d5sc04138d","","x-ray","0.71073","MoKα","","0.081","0.0509","","","0.1329","0.1515","","","","","","1.05","","","","has coordinates","303613","2025-11-29","18:21:08",""
"1575962","15.0059","0.0019","4.9727","0.0006","16.534","0.002","90","","102.643","0.005","90","","1203.8","0.3","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","IPXZ","IPXZ","","- C18 H11 N O -","- C18 H11 N O -","- C72 H44 N4 O4 -","4","1","","Wang, Zetian; Li, Ting; Song, Yongjun; Zhuang, Dajun; Yang, Sen; He, Lei","Over 260-fold enhancement of reverse intersystem crossing by a host-guest exciplex for a multiple resonance emitter toward efficient narrowband electroluminescence.","Chemical science","2025","16","44","21068","21078","10.1039/d5sc05928c","","","1.34139","GaKα","","0.097","0.0806","","","0.1995","0.2058","","","","","","1.139","","","","has coordinates","303596","2025-11-29","18:14:15",""
"1575963","16.2373","0.0009","7.596","0.0004","20.7374","0.0012","90","","90","","90","","2557.7","0.2","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","IPTZ","IPTZ","","- C18 H11 N S -","- C18 H11 N S -","- C144 H88 N8 S8 -","8","1","","Wang, Zetian; Li, Ting; Song, Yongjun; Zhuang, Dajun; Yang, Sen; He, Lei","Over 260-fold enhancement of reverse intersystem crossing by a host-guest exciplex for a multiple resonance emitter toward efficient narrowband electroluminescence.","Chemical science","2025","16","44","21068","21078","10.1039/d5sc05928c","","","1.34139","GaKα","","0.0616","0.0594","","","0.159","0.1607","","","","","","1.059","","","","has coordinates","303596","2025-11-29","18:14:15",""
"1575964","16.3563","0.0014","20.6009","0.0017","7.9397","0.0007","90","","90","","90","","2675.3","0.4","183","","183","","","","","","","","","4","A e a 2","A 2 -2ab","41","IPSeZ","IPSeZ","","- C18 H11 N Se -","- C18 H11 N Se -","- C144 H88 N8 Se8 -","8","1","","Wang, Zetian; Li, Ting; Song, Yongjun; Zhuang, Dajun; Yang, Sen; He, Lei","Over 260-fold enhancement of reverse intersystem crossing by a host-guest exciplex for a multiple resonance emitter toward efficient narrowband electroluminescence.","Chemical science","2025","16","44","21068","21078","10.1039/d5sc05928c","","","1.34139","GaKα","","0.0359","0.0334","","","0.0905","0.0922","","","","","","1.068","","","","has coordinates","303596","2025-11-29","18:14:15",""
"1575965","33.257","0.004","7.2429","0.0007","20.523","0.002","90","","97.653","0.004","90","","4899.5","0.9","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","CAZ-Ph-IPXZ","CAZ-Ph-IPXZ","","- C36 H22 N2 O -","- C36 H22 N2 O -","- C288 H176 N16 O8 -","8","1","","Wang, Zetian; Li, Ting; Song, Yongjun; Zhuang, Dajun; Yang, Sen; He, Lei","Over 260-fold enhancement of reverse intersystem crossing by a host-guest exciplex for a multiple resonance emitter toward efficient narrowband electroluminescence.","Chemical science","2025","16","44","21068","21078","10.1039/d5sc05928c","","","1.34139","GaKα","","0.0428","0.0419","","","0.1113","0.1121","","","","","","1.024","","","","has coordinates","303596","2025-11-29","18:14:15",""
"1575966","17.1218","0.0011","17.1218","0.0011","19.1004","0.0014","90","","90","","120","","4849.2","0.6","243.15","","243.15","","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","nia-d-TZB","","- C42 H24 Mn3 N18 O7 -","- C42 H24 Mn3 N18 O7 -","- C84 H48 Mn6 N36 O14 -","2","0.0833333","","Zhang, Wei-Hong; Ma, Ya-Nan; Du, Guo-Tong; Wang, Ping; Xue, Dong-Xu","Fluorine-mediated single-step ethylene purification in face-transitive metal-organic frameworks from binary to ternary gas mixtures.","Chemical science","2025","16","47","22348","22356","10.1039/d5sc06836c","","","1.54178","CuKα","","0.0473","0.0468","","","0.1194","0.1201","","","","","","1.075","","","","has coordinates,has disorder","304089","2025-12-06","22:16:28",""
"1575967","17.0909","0.0009","17.0909","0.0009","19.1443","0.0015","90","","90","","120","","4842.8","0.5","243","","243","","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","nia-d-FTZB","","- C42 H21 F3 Mn3 N18 O7 -","- C42 H21 F3 Mn3 N18 O7 -","- C84 H42 F6 Mn6 N36 O14 -","2","0.0833333","","Zhang, Wei-Hong; Ma, Ya-Nan; Du, Guo-Tong; Wang, Ping; Xue, Dong-Xu","Fluorine-mediated single-step ethylene purification in face-transitive metal-organic frameworks from binary to ternary gas mixtures.","Chemical science","2025","16","47","22348","22356","10.1039/d5sc06836c","","","1.54178","CuKα","","0.0543","0.0529","","","0.1441","0.1463","","","","","","1.066","","","","has coordinates,has disorder","304089","2025-12-06","22:16:28",""
"1575968","12.4604","0.0001","11.5578","0.0001","15.4703","0.0001","90","","107.615","0.001","90","","2123.49","0.03","99.99","0.1","99.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C46 H64 Dy2 N4 -","- C46 H64 Dy2 N4 -","- C92 H128 Dy4 N8 -","2","0.5","","Benner, Florian; Deshapriya, Saroshan; Demir, Selvan","A tetraazanaphthalene radical-bridged dysprosium single-molecule magnet with a large coercive field.","Chemical science","2025","16","44","20806","20822","10.1039/d5sc05358g","","x-ray","1.54184","CuKα","","0.0288","0.027","","","0.0635","0.0643","","","","","","1.097","","","","has coordinates,has disorder","303599","2025-11-29","18:15:11",""
"1575969","10.567","0.0001","12.6463","0.0001","25.5268","0.0002","77.5","0.001","78.954","0.001","83.572","0.001","3259.82","0.05","99.99","0.1","99.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C70 H64 B Dy2 F20 N4 -","- C70 H64 B Dy2 F20 N4 -","- C140 H128 B2 Dy4 F40 N8 -","2","1","","Benner, Florian; Deshapriya, Saroshan; Demir, Selvan","A tetraazanaphthalene radical-bridged dysprosium single-molecule magnet with a large coercive field.","Chemical science","2025","16","44","20806","20822","10.1039/d5sc05358g","","x-ray","1.54184","CuKα","","0.041","0.0383","","","0.0974","0.0991","","","","","","1.058","","","","has coordinates,has disorder","303599","2025-11-29","18:15:13",""
"1575976","18.4067","0.0009","10.3962","0.0005","19.3564","0.0009","90","","109.753","0.003","90","","3486.1","0.3","150","","150","","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C73 H128 N2 U2 -","- C73 H128 N2 U2 -","- C146 H256 N4 U4 -","2","0.5","","Shephard, Angus C. G.; Pedussaut, Lucie; De Marchi, Linda; Demonti, Luca; Rajeshkumar, Thayalan; Casaretto, Nicolas; Maron, Laurent; Danoun, Grégory; Simler, Thomas; Nocton, Grégory","Room temperature dinitrogen cleavage and hydrogenation with organometallic complexes of uranium.","Chemical science","2025","16","45","21334","21345","10.1039/d5sc07194a","","x-ray","0.71073","MoKα","","0.1211","0.0629","","","0.1438","0.1742","","","","","","1.015","","","","has coordinates,has disorder","303669","2025-11-29","18:43:48",""
"1575977","14.2226","0.0004","14.7263","0.0003","22.8579","0.0006","78.484","0.002","83.187","0.002","65.206","0.002","4255.4","0.2","150","","150.15","","","","","","","","","5","P -1","-P 1","2","","","","- C89 H141 I N2 U3 -","- C89 H141 I N2 U3 -","- C178 H282 I2 N4 U6 -","2","1","","Shephard, Angus C. G.; Pedussaut, Lucie; De Marchi, Linda; Demonti, Luca; Rajeshkumar, Thayalan; Casaretto, Nicolas; Maron, Laurent; Danoun, Grégory; Simler, Thomas; Nocton, Grégory","Room temperature dinitrogen cleavage and hydrogenation with organometallic complexes of uranium.","Chemical science","2025","16","45","21334","21345","10.1039/d5sc07194a","","","0.71073","MoKα","","0.0567","0.0324","","","0.0667","0.0716","","","","","","0.981","","","","has coordinates,has disorder","303669","2025-11-29","18:43:49",""
"1575978","10.5775","0.0012","25.372","0.004","21.043","0.003","90","","101.426","0.009","90","","5535.4","1.3","150","","150.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C55 H97 N2 O U2 -","- C55 H97 N2 O U2 -","- C220 H388 N8 O4 U8 -","4","1","","Shephard, Angus C. G.; Pedussaut, Lucie; De Marchi, Linda; Demonti, Luca; Rajeshkumar, Thayalan; Casaretto, Nicolas; Maron, Laurent; Danoun, Grégory; Simler, Thomas; Nocton, Grégory","Room temperature dinitrogen cleavage and hydrogenation with organometallic complexes of uranium.","Chemical science","2025","16","45","21334","21345","10.1039/d5sc07194a","","","0.71073","MoKα","","0.0672","0.0536","","","0.1376","0.1487","","","","","","1.06","","","","has coordinates,has disorder","303669","2025-11-29","18:43:49",""
"1575979","14.0922","0.0003","14.3701","0.0003","23.5776","0.0005","77.506","0.002","82.208","0.002","65.737","0.002","4243.94","0.17","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C89 H140 I N2 U3 -","- C89 H140 I N2 U3 -","- C178 H280 I2 N4 U6 -","2","1","","Shephard, Angus C. G.; Pedussaut, Lucie; De Marchi, Linda; Demonti, Luca; Rajeshkumar, Thayalan; Casaretto, Nicolas; Maron, Laurent; Danoun, Grégory; Simler, Thomas; Nocton, Grégory","Room temperature dinitrogen cleavage and hydrogenation with organometallic complexes of uranium.","Chemical science","2025","16","45","21334","21345","10.1039/d5sc07194a","","","0.71073","MoKα","","0.0375","0.0254","","","0.0567","0.0594","","","","","","1.009","","","","has coordinates,has disorder","303669","2025-11-29","18:43:49",""
"1575980","44.3908","0.0007","11.6107","0.0002","56.6934","0.0011","90","","101.829","0.001","90","","28599.7","0.9","150","","150","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C73 H130 N2 U2 -","- C73 H130 N2 U2 -","- C1168 H2080 N32 U32 -","16","2","","Shephard, Angus C. G.; Pedussaut, Lucie; De Marchi, Linda; Demonti, Luca; Rajeshkumar, Thayalan; Casaretto, Nicolas; Maron, Laurent; Danoun, Grégory; Simler, Thomas; Nocton, Grégory","Room temperature dinitrogen cleavage and hydrogenation with organometallic complexes of uranium.","Chemical science","2025","16","45","21334","21345","10.1039/d5sc07194a","","","0.71073","MoKα","","0.0774","0.0447","","","0.0924","0.1041","","","","","","1.048","","","","has coordinates","303669","2025-11-29","18:43:49",""
"1575981","11.254","0.003","8.328","0.002","13.391","0.004","90","","91.61","0.011","90","","1254.6","0.6","170","","170","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H27 N O3 Si -","- C28 H27 N O3 Si -","- C56 H54 N2 O6 Si2 -","2","1","","Liu, Si-Yi; Zhu, Zi-Qi; Chen, Fei-Xiao; Feng, Ni-Na; Ni, Shao-Fei; Shi, Feng","Catalytic asymmetric synthesis of indole-based atropisomers bearing silicon-stereogenic centers.","Chemical science","2025","16","45","21394","21403","10.1039/d5sc05320j","","","1.34139","GaKα","","0.1658","0.0842","","","0.2107","0.2601","","","","","","1.001","","","","has coordinates","303670","2025-11-29","18:44:02",""
"1575982","21.78196","0.0001","15.03091","0.00007","24.1043","0.00013","90","","92.8717","0.0004","90","","7881.9","0.07","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H104 Ce Mo10 N5 O36.5 -","- C44 H104 Ce Mo10 N5 O36.5 -","- C176 H416 Ce4 Mo40 N20 O146 -","4","1","","Shiels, Dominic; Pittalis, Michele; Gunarathna, Nadeeshan; Berlfein, Adriana C.; Brennessel, William W.; Ruggiero, Michael T.; Matson, Ellen M.","Isolation of Ce(iv) centered polyoxoalkoxide sandwich-type complexes allows comparison of metal-oxygen bond covalency.","Chemical science","2025","16","46","21917","21931","10.1039/d5sc06415e","","x-ray","1.54184","CuKα","","0.0503","0.0481","","","0.1091","0.1102","","","","","","1.112","","","","has coordinates,has disorder","303645","2025-11-29","18:32:41",""
"1575983","13.11989","0.00007","14.37437","0.0001","25.938","0.0002","77.006","0.0006","89.2214","0.0005","75.4995","0.0005","4609.83","0.06","100.01","0.1","100.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C59 H144 Ce Mo2 N5 O39 W8 -","- C59 H144 Ce Mo2 N5 O39 W8 -","- C118 H288 Ce2 Mo4 N10 O78 W16 -","2","1","","Shiels, Dominic; Pittalis, Michele; Gunarathna, Nadeeshan; Berlfein, Adriana C.; Brennessel, William W.; Ruggiero, Michael T.; Matson, Ellen M.","Isolation of Ce(iv) centered polyoxoalkoxide sandwich-type complexes allows comparison of metal-oxygen bond covalency.","Chemical science","2025","16","46","21917","21931","10.1039/d5sc06415e","","x-ray","1.54184","CuKα","","0.0298","0.0287","","","0.0627","0.0632","","","","","","1.108","","","","has coordinates,has disorder","303645","2025-11-29","18:32:42",""
"1575984","21.8546","0.0002","15.1007","0.0001","24.2678","0.0002","90","","92.809","0.001","90","","7999.23","0.11","173","0.1","173","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H104 Ce Mo2 N5 O36.5 W8 -","- C44 H104 Ce Mo2 N5 O36.5 W8 -","- C176 H416 Ce4 Mo8 N20 O146 W32 -","4","1","","Shiels, Dominic; Pittalis, Michele; Gunarathna, Nadeeshan; Berlfein, Adriana C.; Brennessel, William W.; Ruggiero, Michael T.; Matson, Ellen M.","Isolation of Ce(iv) centered polyoxoalkoxide sandwich-type complexes allows comparison of metal-oxygen bond covalency.","Chemical science","2025","16","46","21917","21931","10.1039/d5sc06415e","","x-ray","1.54184","CuKα","","0.0417","0.038","","","0.083","0.0848","","","","","","1.048","","","","has coordinates,has disorder","303645","2025-11-29","18:32:42",""
"1575985","23.9256","0.0001","22.6161","0.0001","18.2707","0.0001","90","","108.191","0.001","90","","9392.24","0.09","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H142 Ce Mo10 N5 O37 -","- C60 H142 Ce Mo10 N5 O37 -","- C240 H568 Ce4 Mo40 N20 O148 -","4","1","","Shiels, Dominic; Pittalis, Michele; Gunarathna, Nadeeshan; Berlfein, Adriana C.; Brennessel, William W.; Ruggiero, Michael T.; Matson, Ellen M.","Isolation of Ce(iv) centered polyoxoalkoxide sandwich-type complexes allows comparison of metal-oxygen bond covalency.","Chemical science","2025","16","46","21917","21931","10.1039/d5sc06415e","","x-ray","1.54184","CuKα","","0.0274","0.0263","","","0.066","0.0667","","","","","","1.066","","","","has coordinates,has disorder","303645","2025-11-29","18:32:42",""
"1575986","15.6604","0.0006","15.6604","0.0006","48.736","0.003","90","","90","","120","","10351.1","0.8","223","","223","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C108 H90 Br12 Mn3 S6 -","- C108 H90 Br12 Mn3 S6 -","- C432 H360 Br48 Mn12 S24 -","4","0.222222","","Wang, Mengzhu; Li, Xiaolong; Zou, Siwen; Cui, Haixia; Deng, Yongjing; Li, Jiangang; Jiang, Yi; Wang, Longlu; Liu, Shujuan; Zhao, Qiang; Ma, Yun","Near-unity and narrow green emission from a manganese(ii) bromide for efficient WLEDs and 3D X-ray imaging.","Chemical science","2025","16","45","21423","21432","10.1039/d5sc04721h","","","0.71073","MoKα","","0.0353","0.0294","","","0.0618","0.0648","","","","","","1.034","","","","has coordinates","303668","2025-11-29","18:43:09",""
"1575987","9.29","0.0003","17.7124","0.0005","21.3537","0.0005","90","","99.555","0.001","90","","3464.97","0.17","223","","223","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H30 Cl4 Mn S2 -","- C36 H30 Cl4 Mn S2 -","- C144 H120 Cl16 Mn4 S8 -","4","1","","Wang, Mengzhu; Li, Xiaolong; Zou, Siwen; Cui, Haixia; Deng, Yongjing; Li, Jiangang; Jiang, Yi; Wang, Longlu; Liu, Shujuan; Zhao, Qiang; Ma, Yun","Near-unity and narrow green emission from a manganese(ii) bromide for efficient WLEDs and 3D X-ray imaging.","Chemical science","2025","16","45","21423","21432","10.1039/d5sc04721h","","","0.71073","MoKα","","0.0421","0.0318","","","0.0726","0.0806","","","","","","1.064","","","","has coordinates","303668","2025-11-29","18:43:10",""
"1575988","7.0485","0.0002","7.2975","0.0002","14.107","0.0005","78.535","0.002","78.684","0.001","79.098","0.001","688.75","0.04","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C12 H12 Cu N2 O4 S2 -","- C12 H12 Cu N2 O4 S2 -","- C24 H24 Cu2 N4 O8 S4 -","2","1","","Mishra, Atreyee; Black, Dominic J.; Bradford, Thomas S.; Djoko, Karrera Y.; Hofmann, Benjamin J.; Hunter, Jamie J.; Lord, Rianne M.; Pal, Robert; Smart, Harvey J.; Stringer, Tameryn; Walton, James W.","Copper pyrithione complexes with endoplasmic reticulum localisation showing anticancer activity <i>via</i> ROS generation.","Chemical science","2025","16","44","21104","21110","10.1039/d4sc06628f","","x-ray","0.71073","MoKα","","0.0552","0.0413","","","0.0763","0.0809","","","","","","1.0277","","","","has coordinates","303590","2025-11-29","18:11:32",""
"1575989","4.1289","0.0003","7.5872","0.0005","10.9528","0.0007","72.074","0.003","89.98","0.003","83.141","0.003","323.88","0.04","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C12 H12 Cu N2 O2 S2 -","- C12 H12 Cu N2 O2 S2 -","- C12 H12 Cu N2 O2 S2 -","1","0.5","","Mishra, Atreyee; Black, Dominic J.; Bradford, Thomas S.; Djoko, Karrera Y.; Hofmann, Benjamin J.; Hunter, Jamie J.; Lord, Rianne M.; Pal, Robert; Smart, Harvey J.; Stringer, Tameryn; Walton, James W.","Copper pyrithione complexes with endoplasmic reticulum localisation showing anticancer activity <i>via</i> ROS generation.","Chemical science","2025","16","44","21104","21110","10.1039/d4sc06628f","","x-ray","0.71073","MoKα","","0.0471","0.0334","","","0.0698","0.0744","","","","","","1.062","","","","has coordinates","303590","2025-11-29","18:11:33",""
"1575990","16.8078","0.0005","13.2442","0.0004","18.6661","0.0005","90","","90","","90","","4155.2","0.2","120","","120","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H12 Cu N2 O4 S2 -","- C12 H12 Cu N2 O4 S2 -","- C144 H144 Cu12 N24 O48 S24 -","12","1.5","","Mishra, Atreyee; Black, Dominic J.; Bradford, Thomas S.; Djoko, Karrera Y.; Hofmann, Benjamin J.; Hunter, Jamie J.; Lord, Rianne M.; Pal, Robert; Smart, Harvey J.; Stringer, Tameryn; Walton, James W.","Copper pyrithione complexes with endoplasmic reticulum localisation showing anticancer activity <i>via</i> ROS generation.","Chemical science","2025","16","44","21104","21110","10.1039/d4sc06628f","","","0.71073","MoKα","","0.0538","0.0438","","","0.0849","0.0882","","","","","","1.124","","","","has coordinates","303590","2025-11-29","18:11:33",""
"1575991","7.478","0.003","13.63","0.005","6.982","0.002","90","","106.895","0.009","90","","680.9","0.4","120","","120","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 Cu N2 O2 S2 -","- C12 H12 Cu N2 O2 S2 -","- C24 H24 Cu2 N4 O4 S4 -","2","0.5","","Mishra, Atreyee; Black, Dominic J.; Bradford, Thomas S.; Djoko, Karrera Y.; Hofmann, Benjamin J.; Hunter, Jamie J.; Lord, Rianne M.; Pal, Robert; Smart, Harvey J.; Stringer, Tameryn; Walton, James W.","Copper pyrithione complexes with endoplasmic reticulum localisation showing anticancer activity <i>via</i> ROS generation.","Chemical science","2025","16","44","21104","21110","10.1039/d4sc06628f","","x-ray","0.71073","MoKα","","0.1656","0.0795","","","0.1536","0.1768","","","","","","1.109","","","","has coordinates","303590","2025-11-29","18:11:33",""
"1575992","3.9634","0.0002","7.5851","0.0004","10.8927","0.0006","82.893","0.002","86.756","0.002","80.578","0.002","320.34","0.03","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C12 H12 Cu N2 O2 S2 -","- C12 H12 Cu N2 O2 S2 -","- C12 H12 Cu N2 O2 S2 -","1","0.5","","Mishra, Atreyee; Black, Dominic J.; Bradford, Thomas S.; Djoko, Karrera Y.; Hofmann, Benjamin J.; Hunter, Jamie J.; Lord, Rianne M.; Pal, Robert; Smart, Harvey J.; Stringer, Tameryn; Walton, James W.","Copper pyrithione complexes with endoplasmic reticulum localisation showing anticancer activity <i>via</i> ROS generation.","Chemical science","2025","16","44","21104","21110","10.1039/d4sc06628f","","x-ray","0.71073","MoKα","","0.0332","0.0295","","","0.0697","0.0712","","","","","","1.076","","","","has coordinates","303590","2025-11-29","18:11:33",""
"1575993","4.4334","0.0002","12.6398","0.0006","13.3645","0.0007","98.982","0.002","94.392","0.002","90.911","0.002","737.26","0.06","120","","120","","","","","","","","","7","P -1","-P 1","2","","","","- C12 H6 Cu F6 N2 O2 S2 -","- C12 H6 Cu F6 N2 O2 S2 -","- C24 H12 Cu2 F12 N4 O4 S4 -","2","1","","Mishra, Atreyee; Black, Dominic J.; Bradford, Thomas S.; Djoko, Karrera Y.; Hofmann, Benjamin J.; Hunter, Jamie J.; Lord, Rianne M.; Pal, Robert; Smart, Harvey J.; Stringer, Tameryn; Walton, James W.","Copper pyrithione complexes with endoplasmic reticulum localisation showing anticancer activity <i>via</i> ROS generation.","Chemical science","2025","16","44","21104","21110","10.1039/d4sc06628f","","x-ray","0.71073","MoKα","","0.0426","0.0297","","","0.0707","0.0751","","","","","","1.046","","","","has coordinates","303590","2025-11-29","18:11:33",""
"1576005","9.2342","0.0001","31.6515","0.0004","10.3176","0.0001","90","","99.786","0.001","90","","2971.71","0.06","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H30 Cl3 N P2 S Sn -","- C30 H30 Cl3 N P2 S Sn -","- C120 H120 Cl12 N4 P8 S4 Sn4 -","4","1","","Jörges, Mike; Knyszek, Daniel; Kumar, Manoj; Swamy, Varre S. V. S. N.; Gessner, Viktoria H.","Isolation of a Lewis acid-base stabilized stannanone.","Chemical science","2025","16","44","21087","21093","10.1039/d5sc06549f","","x-ray","1.54184","CuKα","","0.0534","0.0522","","","0.1353","0.1368","","","","","","1.046","","","","has coordinates","303592","2025-11-29","18:12:15",""
"1576006","28.0096","0.0003","12.2995","0.0001","18.7039","0.0002","90","","94.742","0.001","90","","6421.51","0.11","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C60 H60 Cl2 N2 O P4 S2 Sn2 -","- C60 H60 Cl2 N2 O P4 S2 Sn2 -","- C240 H240 Cl8 N8 O4 P16 S8 Sn8 -","4","0.5","","Jörges, Mike; Knyszek, Daniel; Kumar, Manoj; Swamy, Varre S. V. S. N.; Gessner, Viktoria H.","Isolation of a Lewis acid-base stabilized stannanone.","Chemical science","2025","16","44","21087","21093","10.1039/d5sc06549f","","x-ray","1.54184","CuKα","","0.036","0.0341","","","0.0917","0.0933","","","","","","1.046","","","","has coordinates,has disorder","303592","2025-11-29","18:12:17",""
"1576007","19.7673","0.0001","15.7479","0.0001","19.8246","0.0001","90","","91.649","0.001","90","","6168.71","0.06","100","2","100","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C61 H62 B Cl3 F4 N2 P4 S2 Sn -","- C61 H62 B Cl3 F4 N2 P4 S2 Sn -","- C244 H248 B4 Cl12 F16 N8 P16 S8 Sn4 -","4","1","","Jörges, Mike; Knyszek, Daniel; Kumar, Manoj; Swamy, Varre S. V. S. N.; Gessner, Viktoria H.","Isolation of a Lewis acid-base stabilized stannanone.","Chemical science","2025","16","44","21087","21093","10.1039/d5sc06549f","","x-ray","1.54184","CuKα","","0.0412","0.0402","","","0.1021","0.1027","","","","","","1.035","","","","has coordinates,has disorder","303592","2025-11-29","18:12:17",""
"1576008","9.9416","0.0003","20.0598","0.0003","19.7546","0.0005","90","","124.943","0.004","90","","3229.4","0.2","105","2","105","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H43 Cl3 P2 S Sn -","- C31 H43 Cl3 P2 S Sn -","- C124 H172 Cl12 P8 S4 Sn4 -","4","1","","Jörges, Mike; Knyszek, Daniel; Kumar, Manoj; Swamy, Varre S. V. S. N.; Gessner, Viktoria H.","Isolation of a Lewis acid-base stabilized stannanone.","Chemical science","2025","16","44","21087","21093","10.1039/d5sc06549f","","x-ray","1.54184","CuKα","","0.042","0.0386","","","0.0954","0.0974","","","","","","1.062","","","","has coordinates","303592","2025-11-29","18:12:17",""
"1576009","11.0011","0.0005","14.224","0.0007","21.907","0.0007","102.299","0.003","94.481","0.003","110.011","0.004","3104.2","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C122 H124 Cl12 N4 P8 S4 Sn3 -","- C122 H124 Cl12 N4 P8 S4 Sn3 -","- C122 H124 Cl12 N4 P8 S4 Sn3 -","1","0.5","","Jörges, Mike; Knyszek, Daniel; Kumar, Manoj; Swamy, Varre S. V. S. N.; Gessner, Viktoria H.","Isolation of a Lewis acid-base stabilized stannanone.","Chemical science","2025","16","44","21087","21093","10.1039/d5sc06549f","","x-ray","1.54184","CuKα","","0.0753","0.0622","","","0.1646","0.1769","","","","","","1.045","","","","has coordinates","303592","2025-11-29","18:12:17",""
"1576010","19.897","0.0003","17.9304","0.0001","19.0955","0.0003","90","","113.58","0.002","90","","6243.7","0.17","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C58 H72 N4 P2 S2 Si4 Sn2 -","- C58 H72 N4 P2 S2 Si4 Sn2 -","- C232 H288 N16 P8 S8 Si16 Sn8 -","4","1","","Jörges, Mike; Knyszek, Daniel; Kumar, Manoj; Swamy, Varre S. V. S. N.; Gessner, Viktoria H.","Isolation of a Lewis acid-base stabilized stannanone.","Chemical science","2025","16","44","21087","21093","10.1039/d5sc06549f","","x-ray","1.54184","CuKα","","0.0285","0.0256","","","0.0645","0.0659","","","","","","1.017","","","","has coordinates","303592","2025-11-29","18:12:17",""
"1576011","9.4598","0.0006","9.2763","0.0006","9.9121","0.0006","90","","113.432","0.002","90","","798.08","0.09","273.15","","273.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C2 H9 Cl N O4 P Zn -","- C2 H9 Cl N O4 P Zn -","- C8 H36 Cl4 N4 O16 P4 Zn4 -","4","1","","Tang, Ru-Ling; Yue Wang, ?; Lv, Yi-Lei; Miao, Bing-Wei; Liu, Wenlong; Guo, Sheng-Ping","Significant enhancement in the birefringence of metal phosphite halides <i>via</i> the introduction of π-conjugated cations.","Chemical science","2025","16","46","22021","22028","10.1039/d5sc04977f","","","0.71073","MoKα","","0.0291","0.0209","","","0.0457","0.048","","","","","","1.088","","","","has coordinates","303646","2025-11-29","18:33:09",""
"1576012","16.1039","0.0008","18.17","0.001","7.4568","0.0005","90","","90","","90","","2181.9","0.2","269","","273.15","","","","","","","","","7","P c c n","-P 2ab 2ac","56","","a","","- C5 H9 Cl2 N2 O3 P Zn -","- C5 H9 Cl2 N2 O3 P Zn -","- C40 H72 Cl16 N16 O24 P8 Zn8 -","8","1","","Tang, Ru-Ling; Yue Wang, ?; Lv, Yi-Lei; Miao, Bing-Wei; Liu, Wenlong; Guo, Sheng-Ping","Significant enhancement in the birefringence of metal phosphite halides <i>via</i> the introduction of π-conjugated cations.","Chemical science","2025","16","46","22021","22028","10.1039/d5sc04977f","","","0.71073","MoKα","","0.0592","0.0326","","","0.0587","0.065","","","","","","1.033","","","","has coordinates","303646","2025-11-29","18:33:11",""
"1576013","19.52","0.004","38.42","0.008","35.47","0.007","90","","97.85","0.03","90","","26352","9","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C218 H236 Cl6 -","- C218 H236 Cl6 -","- C872 H944 Cl24 -","4","1","","Fukunaga, Toshiya M.; Takaba, Kiyofumi; Yoshida, Satoshi; Maki-Yonekura, Saori; Yonekura, Koji; Isobe, Hiroyuki","Expanded segments of three-dimensional carbonaceous nets with chirality: synthesis and structures.","Chemical science","2025","16","42","19594","19600","10.1039/d5sc06999h","","","0.9","synchrotron","","0.2438","0.1977","","","0.5379","0.5712","","","","","","1.561","","","","has coordinates,has disorder","303630","2025-11-29","18:27:12",""
"1576014","23.17","0.02","25.09","0.03","42.23","0.04","92.43","0.05","105.74","0.05","117.31","0.05","20592","4","93","2","93","2","","","","","","","","4","P -1","-P 1","2","","","","- C408 H456 B12 O12 -","- C408 H456 B12 O12 -","- C816 H912 B24 O24 -","2","1","","Fukunaga, Toshiya M.; Takaba, Kiyofumi; Yoshida, Satoshi; Maki-Yonekura, Saori; Yonekura, Koji; Isobe, Hiroyuki","Expanded segments of three-dimensional carbonaceous nets with chirality: synthesis and structures.","Chemical science","2025","16","42","19594","19600","10.1039/d5sc06999h","","","0.01968","electron","","0.5573","0.4576","","","0.7758","0.8198","","","","","","2.759","","","","has coordinates","303630","2025-11-29","18:27:13",""
"1576015","6.5367","0.0002","8.6085","0.0002","10.8444","0.0005","71.974","0.008","82.221","0.009","72.695","0.008","553.38","0.05","113.1","","","","","","","","","","","4","P -1","-P 1","2","","","","- C12 H32 O8 Si4 -","- C12 H32 O8 Si4 -","- C12 H32 O8 Si4 -","1","0.5","","Nguyen, Hera T.; Sbaraini, Nicolau; Bracegirdle, Joe; Smithers, Luke; Moggach, Stephen A.; Vuong, Daniel; Lacey, Ernest; Solomon, Peter S.; Haywood, Joel; Piggott, Andrew M.; Chooi, Yit-Heng","Heterologous expression of an <i>in planta</i>-upregulated gene cluster in the wheat pathogen <i>Parastagonospora nodorum</i> establishes the biosynthesis of methylene-bridged depsides.","Chemical science","2025","16","46","21852","21861","10.1039/d5sc05442g","","","0.7107","MoKα","","","0.058","","","","0.162","","","","","","1.519","","","","has coordinates","303644","2025-11-29","18:32:14",""
"1576016","7.3057","0.0003","8.9953","0.0004","14.6402","0.0003","90.071","0.002","99.076","0.003","111.84","0.004","879.99","0.06","100.02","0.1","100.02","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C20 H22 O8 -","- C20 H22 O8 -","- C40 H44 O16 -","2","1","","Nguyen, Hera T.; Sbaraini, Nicolau; Bracegirdle, Joe; Smithers, Luke; Moggach, Stephen A.; Vuong, Daniel; Lacey, Ernest; Solomon, Peter S.; Haywood, Joel; Piggott, Andrew M.; Chooi, Yit-Heng","Heterologous expression of an <i>in planta</i>-upregulated gene cluster in the wheat pathogen <i>Parastagonospora nodorum</i> establishes the biosynthesis of methylene-bridged depsides.","Chemical science","2025","16","46","21852","21861","10.1039/d5sc05442g","","x-ray","1.54184","CuKα","","0.0743","0.0652","","","0.1789","0.1873","","","","","","1.072","","","","has coordinates","303644","2025-11-29","18:32:15",""
"1576017","16.6109","0.0015","9.0434","0.0005","25.32","0.002","90","","104.606","0.009","90","","3680.6","0.5","100","0.1","100","0.1","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C20 H24 O9 -","- C19 H20 O8 -","- C152 H160 O64 -","8","1","","Nguyen, Hera T.; Sbaraini, Nicolau; Bracegirdle, Joe; Smithers, Luke; Moggach, Stephen A.; Vuong, Daniel; Lacey, Ernest; Solomon, Peter S.; Haywood, Joel; Piggott, Andrew M.; Chooi, Yit-Heng","Heterologous expression of an <i>in planta</i>-upregulated gene cluster in the wheat pathogen <i>Parastagonospora nodorum</i> establishes the biosynthesis of methylene-bridged depsides.","Chemical science","2025","16","46","21852","21861","10.1039/d5sc05442g","","x-ray","1.54184","CuKα","","0.1232","0.1142","","","0.2107","0.2147","","","","","","1.179","","","","has coordinates,has disorder","303644","2025-11-29","18:32:16",""
"1576018","9.8628","0.0006","14.8091","0.0011","15.4382","0.0011","97.723","0.003","93.763","0.002","105.157","0.002","2144.7","0.3","100","2","100","","","","","","","","","5","P -1","-P 1","2","","octakis(3-(p-tolylthio)propyl)octasilsesquioxane","","- C40 H52 O6 S4 Si4 -","- C40 H52 O6 S4 Si4 -","- C80 H104 O12 S8 Si8 -","2","1","","Nguyen, Hera T.; Sbaraini, Nicolau; Bracegirdle, Joe; Smithers, Luke; Moggach, Stephen A.; Vuong, Daniel; Lacey, Ernest; Solomon, Peter S.; Haywood, Joel; Piggott, Andrew M.; Chooi, Yit-Heng","Heterologous expression of an <i>in planta</i>-upregulated gene cluster in the wheat pathogen <i>Parastagonospora nodorum</i> establishes the biosynthesis of methylene-bridged depsides.","Chemical science","2025","16","46","21852","21861","10.1039/d5sc05442g","","x-ray","0.71073","MoKα","","0.0298","0.0274","","","0.0714","0.073","","","","","","1.047","","","","has coordinates","303644","2025-11-29","18:32:16",""
"1576019","6.2724","0.0001","12.6137","0.0001","22.639","0.0003","90","","90","","90","","1791.16","0.04","172.99","0.1","172.99","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H19 N O2 -","- C23 H19 N O2 -","- C92 H76 N4 O8 -","4","1","","Pan, Renming; Zhu, Jie; Zhou, Xinjie; Wang, Minyan; Lu, Ping","Ligand-controlled divergent enantioselective hydroarylation of cyclobutenes.","Chemical science","2025","16","45","21498","21507","10.1039/d5sc05740j","","x-ray","1.54184","CuKα","","0.0297","0.0289","","","0.0733","0.0738","","","","","","1.051","","","","has coordinates","303667","2025-11-29","18:42:57",""
"1576020","7.6593","0.0005","8.7731","0.0006","11.3505","0.0008","70.661","0.006","83.531","0.006","83.032","0.006","712.21","0.09","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H11 As S -","- C19 H11 As S -","- C38 H22 As2 S2 -","2","1","","Nishimura, Kazutoshi; Iwamoto, Hiroki; Nishii, Yuji; Hirano, Koji","Synthesis of dibenzoarsole derivatives from biarylborates <i>via</i> the twofold formation of C-As bonds using arsenium dication equivalents.","Chemical science","2025","16","45","21433","21439","10.1039/d5sc05528h","","x-ray","1.54184","CuKα","","0.0753","0.0697","","","0.181","0.1901","","","","","","1.049","","","","has coordinates","303661","2025-11-29","18:41:18",""
"1576030","39.9365","0.0004","39.9365","0.0004","24.4862","0.0004","90","","90","","120","","33821.4","0.7","100","2","100","2","","","","","","","","4","P 6/m m m","-P 6 2","191","","","","- C44 H21 O16 Zr3 -","- C44 H21 O16 Zr3 -","- C264 H126 O96 Zr18 -","6","0.25","","Ortín-Rubio, Borja; Yang, Yunhui; Borrego-Marin, Emilio; Rostoll-Berenguer, Jaume; Vila, Carlos; Juanhuix, Judith; Imaz, Inhar; Navarro, Jorge A. R.; Maspoch, Daniel","Linker desymmetrisation unlocks new topologies, defective clusters, and catalytic activity in zirconium- and rare-earth metal-organic frameworks.","Chemical science","2025","16","45","21600","21613","10.1039/d5sc05365j","","","0.82653","synchrotron","","0.0828","0.0698","","","0.2395","0.2547","","","","","","0.985","","","","has coordinates","303663","2025-11-29","18:41:57",""
"1576031","14.462","0.001","35.446","0.002","26.498","0.002","90","","90","","90","","13583.4","1.6","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C128 H76 F4 O39 Y7 -","- C128 H76 F4 O39 Y7 -","- C512 H304 F16 O156 Y28 -","4","0.5","","Ortín-Rubio, Borja; Yang, Yunhui; Borrego-Marin, Emilio; Rostoll-Berenguer, Jaume; Vila, Carlos; Juanhuix, Judith; Imaz, Inhar; Navarro, Jorge A. R.; Maspoch, Daniel","Linker desymmetrisation unlocks new topologies, defective clusters, and catalytic activity in zirconium- and rare-earth metal-organic frameworks.","Chemical science","2025","16","45","21600","21613","10.1039/d5sc05365j","","","0.82653","synchrotron","","0.0641","0.06","","","0.1944","0.1982","","","","","","1.1","","","","has coordinates","303663","2025-11-29","18:41:58",""
"1576032","22.2811","0.0008","33.7528","0.0009","24.5977","0.0004","90","","90","","90","","18498.7","0.9","100","2","100","2","","","","","","","","3","C m m m","-C 2 2","65","","","","- C24 O9 Zr1.5 -","- C24 O9 Zr1.5 -","- C192 O72 Zr12 -","8","0.5","","Ortín-Rubio, Borja; Yang, Yunhui; Borrego-Marin, Emilio; Rostoll-Berenguer, Jaume; Vila, Carlos; Juanhuix, Judith; Imaz, Inhar; Navarro, Jorge A. R.; Maspoch, Daniel","Linker desymmetrisation unlocks new topologies, defective clusters, and catalytic activity in zirconium- and rare-earth metal-organic frameworks.","Chemical science","2025","16","45","21600","21613","10.1039/d5sc05365j","","","0.82653","synchrotron","","0.1046","0.084","","","0.2617","0.2848","","","","","","1.058","","","","has coordinates","303663","2025-11-29","18:41:58",""
"1576033","14.1161","0.0004","18.8518","0.0004","40.3544","0.0004","90","","90","","90","","10738.9","0.4","100","2","100","2","","","","","","","","3","P c c a","-P 2a 2ac","54","","","","- C51.43 O18.29 Zr3.43 -","- C50.2857 O18.2857 Zr3.42857 -","- C352 O128 Zr24 -","7","0.875","","Ortín-Rubio, Borja; Yang, Yunhui; Borrego-Marin, Emilio; Rostoll-Berenguer, Jaume; Vila, Carlos; Juanhuix, Judith; Imaz, Inhar; Navarro, Jorge A. R.; Maspoch, Daniel","Linker desymmetrisation unlocks new topologies, defective clusters, and catalytic activity in zirconium- and rare-earth metal-organic frameworks.","Chemical science","2025","16","45","21600","21613","10.1039/d5sc05365j","","","0.82653","synchrotron","","0.1057","0.0812","","","0.2783","0.3019","","","","","","1.117","","","","has coordinates,has disorder","303663","2025-11-29","18:41:58",""
"1576034","21.1486","0.001","34.1491","0.001","24.7133","0.0005","90","","90","","90","","17848.1","1.1","100","2","100","2","","","","","","","","4","C m m m","-C 2 2","65","","","","- C52 H22 O16 Zr3 -","- C52 H22 O16 Zr3 -","- C208 H88 O64 Zr12 -","4","0.25","","Ortín-Rubio, Borja; Yang, Yunhui; Borrego-Marin, Emilio; Rostoll-Berenguer, Jaume; Vila, Carlos; Juanhuix, Judith; Imaz, Inhar; Navarro, Jorge A. R.; Maspoch, Daniel","Linker desymmetrisation unlocks new topologies, defective clusters, and catalytic activity in zirconium- and rare-earth metal-organic frameworks.","Chemical science","2025","16","45","21600","21613","10.1039/d5sc05365j","","","0.82653","synchrotron","","0.128","0.0937","","","0.2772","0.311","","","","","","1.113","","","","has coordinates","303663","2025-11-29","18:41:58",""
"1576035","22.3625","0.0004","22.3625","0.0004","24.3563","0.0012","90","","90","","120","","10548.3","0.6","100","2","100","2","","","","","","","","4","P -6 m 2","P -6 2","187","","","","- C147 H48 O47 Y9 -","- C147 H48 O47 Y9 -","- C147 H48 O47 Y9 -","1","0.0833333","","Ortín-Rubio, Borja; Yang, Yunhui; Borrego-Marin, Emilio; Rostoll-Berenguer, Jaume; Vila, Carlos; Juanhuix, Judith; Imaz, Inhar; Navarro, Jorge A. R.; Maspoch, Daniel","Linker desymmetrisation unlocks new topologies, defective clusters, and catalytic activity in zirconium- and rare-earth metal-organic frameworks.","Chemical science","2025","16","45","21600","21613","10.1039/d5sc05365j","","","0.82653","synchrotron","","0.127","0.1224","","","0.3014","0.3105","","","","","","1.394","","","","has coordinates","303663","2025-11-29","18:41:58",""
"1576036","11.4644","0.0001","11.4644","0.0001","37.6131","0.0007","90","","90","","90","","4943.58","0.11","173","2","173","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C32 H24 N2 O2 -","- C32 H24 N2 O2 -","- C256 H192 N16 O16 -","8","1","","Zeng, Hongkun; Li, Shiyang; Ning, Lichao; Huang, Tao; Feng, Xiaoming; Lin, Lili","Sequential oxidative dearomatization/asymmetric homologation: from simple naphthols to chiral benzocycloheptanes.","Chemical science","2025","16","47","22536","22541","10.1039/d5sc05865a","","","1.54178","CuKα","","0.0261","0.0252","","","0.0647","0.0655","","","","","","1.041","","","","has coordinates,has disorder","304091","2025-12-06","22:16:53",""
"1576037","17.3955","0.0011","17.9852","0.0012","19.2333","0.0013","68.118","0.003","83.583","0.003","74.293","0.003","5374.9","0.6","100","","100","","","","","","","","","5","P 1","P 1","1","","","","- C177 H164 Cl6 N12 O12 -","- C177 H164 Cl6 N12 O12 -","- C177 H164 Cl6 N12 O12 -","1","1","","An, Tai; Yao, Jiayao; Xiao, Zuo; Yu, Qi; Wang, Yu; Gao, Yueyue; Song, Yixiao; Huang, Zuoxin; Ding, Zheng; Zhang, Xinyue; Xie, Yuanpeng; Lv, Menglan; Zuo, Chuantian; Ding, Junqiao; Ding, Liming","Chiral tether-guided selective synthesis of <i>D</i> <sub><i>n</i></sub> -symmetric chiral conjugated nanorings.","Chemical science","2025","16","45","21404","21415","10.1039/d5sc06445g","","","0.71073","MoKα","","0.1592","0.0848","","","0.2221","0.2654","","","","","","0.928","","","","has coordinates","303671","2025-11-29","18:44:51",""
"1576038","17.728","0.002","17.892","0.002","19.632","0.002","65.98","0.005","81.665","0.006","77.601","0.006","5543.6","1.1","100","","100","","","","","","","","","4","P 1","P 1","1","","","","- C84 H72 N6 O6 -","- C84 H72 N6 O6 -","- C168 H144 N12 O12 -","2","2","","An, Tai; Yao, Jiayao; Xiao, Zuo; Yu, Qi; Wang, Yu; Gao, Yueyue; Song, Yixiao; Huang, Zuoxin; Ding, Zheng; Zhang, Xinyue; Xie, Yuanpeng; Lv, Menglan; Zuo, Chuantian; Ding, Junqiao; Ding, Liming","Chiral tether-guided selective synthesis of <i>D</i> <sub><i>n</i></sub> -symmetric chiral conjugated nanorings.","Chemical science","2025","16","45","21404","21415","10.1039/d5sc06445g","","","1.34139","GaKα","","0.183","0.0897","","","0.2333","0.286","","","","","","0.917","","","","has coordinates,has disorder","303671","2025-11-29","18:44:51",""
"1576039","34.9","0.003","34.9","0.003","14.8617","0.0015","90","","90","","120","","15677","2","170","","170","","","","","","","","","4","R 3 :H","R 3","146","","","","- C80.67 H74.33 Cl8 N6 -","- C80.6663 H74.333 Cl7.9989 N6 -","- C725.997 H668.997 Cl71.9901 N54 -","9","1","","An, Tai; Yao, Jiayao; Xiao, Zuo; Yu, Qi; Wang, Yu; Gao, Yueyue; Song, Yixiao; Huang, Zuoxin; Ding, Zheng; Zhang, Xinyue; Xie, Yuanpeng; Lv, Menglan; Zuo, Chuantian; Ding, Junqiao; Ding, Liming","Chiral tether-guided selective synthesis of <i>D</i> <sub><i>n</i></sub> -symmetric chiral conjugated nanorings.","Chemical science","2025","16","45","21404","21415","10.1039/d5sc06445g","","","1.34139","GaKα","","0.103","0.0794","","","0.2107","0.2337","","","","","","1.002","","","","has coordinates,has disorder","303671","2025-11-29","18:44:51",""
"1576040","15.7945","0.0006","5.0027","0.0002","17.3264","0.0006","90","","113.066","0.004","90","","1259.6","0.09","175","5","175","5","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H26 Cl F2 N O4 -","- C30 H26 Cl F2 N O4 -","- C60 H52 Cl2 F4 N2 O8 -","2","1","","Huang, Jin-Yu; Qin, Xin-Ting; Rao, Han-Wen; Chen, Zhi-Chao; Zhu, Lei; Ouyang, Qin; Du, Wei; Chen, Ying-Chun","Palladium-catalysed asymmetric annulations of Morita-Baylis-Hillman carbonates with allenes or alkenes <i>via</i> migratory insertion.","Chemical science","2025","16","47","22456","22464","10.1039/d5sc06910f","","x-ray","1.54184","CuKα","","0.0458","0.039","","","0.0942","0.0984","","","","","","1.018","","","","has coordinates","304083","2025-12-06","22:14:40",""
"1576041","12.9496","0.0009","14.9981","0.001","13.2216","0.0009","90","","112.546","0.003","90","","2371.6","0.3","295","2","295","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[2-MeIm]2[Sr(TTA)4]","","- C40 H30 F12 N4 O8 S4 Sr -","- C40 H30 F12 N4 O8 S4 Sr -","- C80 H60 F24 N8 O16 S8 Sr2 -","2","0.5","","Huang, Jin-Yu; Qin, Xin-Ting; Rao, Han-Wen; Chen, Zhi-Chao; Zhu, Lei; Ouyang, Qin; Du, Wei; Chen, Ying-Chun","Palladium-catalysed asymmetric annulations of Morita-Baylis-Hillman carbonates with allenes or alkenes <i>via</i> migratory insertion.","Chemical science","2025","16","47","22456","22464","10.1039/d5sc06910f","","","0.71073","MoKα","","0.076","0.0496","","","0.1297","0.1518","","","","","","1.093","","","","has coordinates","304083","2025-12-06","22:14:41",""
"1576042","16.834","0.005","16.834","0.005","8.235","0.003","90","","90","","120","","2021","1.1","302","2","302","","","","","","","","","5","P 32","P 32","145","","","","- C30 H25 N O6 S -","- C30 H25 N O6 S -","- C90 H75 N3 O18 S3 -","3","1","","Huang, Jin-Yu; Qin, Xin-Ting; Rao, Han-Wen; Chen, Zhi-Chao; Zhu, Lei; Ouyang, Qin; Du, Wei; Chen, Ying-Chun","Palladium-catalysed asymmetric annulations of Morita-Baylis-Hillman carbonates with allenes or alkenes <i>via</i> migratory insertion.","Chemical science","2025","16","47","22456","22464","10.1039/d5sc06910f","","","0.71073","MoKα","","0.0795","0.0537","","","0.1122","0.1281","","","","","","1.029","","","","has coordinates,has disorder","304083","2025-12-06","22:14:41",""
"1576043","20.9949","0.0014","10.6889","0.0007","26.4893","0.0018","90","","90","","90","","5944.5","0.7","200","2","200","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C38 H30 N2 O3 -","- C38 H30 N2 O3 -","- C304 H240 N16 O24 -","8","1","","Huang, Jin-Yu; Qin, Xin-Ting; Rao, Han-Wen; Chen, Zhi-Chao; Zhu, Lei; Ouyang, Qin; Du, Wei; Chen, Ying-Chun","Palladium-catalysed asymmetric annulations of Morita-Baylis-Hillman carbonates with allenes or alkenes <i>via</i> migratory insertion.","Chemical science","2025","16","47","22456","22464","10.1039/d5sc06910f","","","1.54178","CuKα","","0.0437","0.0396","","","0.1066","0.1104","","","","","","1.055","","","","has coordinates","304083","2025-12-06","22:14:41",""
"1576044","17.8476","0.0005","27.8909","0.0008","23.5021","0.0007","90","","90","","90","","11699","0.6","151","","151","","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C33 H27 N3 O3 -","- C33 H27 N3 O3 -","- C528 H432 N48 O48 -","16","2","","Huang, Jin-Yu; Qin, Xin-Ting; Rao, Han-Wen; Chen, Zhi-Chao; Zhu, Lei; Ouyang, Qin; Du, Wei; Chen, Ying-Chun","Palladium-catalysed asymmetric annulations of Morita-Baylis-Hillman carbonates with allenes or alkenes <i>via</i> migratory insertion.","Chemical science","2025","16","47","22456","22464","10.1039/d5sc06910f","","","1.54178","CuKα","","0.039","0.0349","","","0.0892","0.092","","","","","","1.052","","","","has coordinates","304083","2025-12-06","22:14:41",""
"1576047","9.7232","0.0004","16.1728","0.0006","22.227","0.0008","74.475","0.002","80.044","0.003","80.493","0.003","3290.9","0.2","100","2","100.01","","","","","","","","","9","P -1","-P 1","2","","","","- C66.75 H55 Cl2 F12 N8 O2.75 P2 Rh S4 -","- C66.75 H55 Cl2 F12 N8 O2.75 P2 Rh S4 -","- C133.5 H110 Cl4 F24 N16 O5.5 P4 Rh2 S8 -","2","1","","Jiang, Katherine Gui-Min; Wei, Fangfang; Leung, Peter Kam-Keung; Wu, Siye; Lo, Kenneth Kam-Wing; Wong, Keith Man-Chung","Rhodamine-functionalised rhodium(iii) complexes: dual role as bioimaging agents and controllable reactive oxygen species photosensitisers for photocytotoxicity applications.","Chemical science","2025","16","46","22127","22135","10.1039/d5sc05257b","","x-ray","1.54178","CuKα","","0.0841","0.0656","","","0.1678","0.1856","","","","","","1.044","","","","has coordinates,has disorder","303650","2025-11-29","18:34:16",""
"1576048","15.2279","0.0007","16.2183","0.0007","16.6539","0.0007","89.246","0.002","75.434","0.002","87.945","0.002","3978.2","0.3","100","2","100.05","","","","","","","","","8","P -1","-P 1","2","","","","- C153.5 H137 Cl18 F24 N16 O2 P4 Rh2 -","- C153.5 H137 Cl18 F24.0002 N16 O2 P4 Rh2 -","- C153.5 H137 Cl18 F24.0002 N16 O2 P4 Rh2 -","1","0.5","","Jiang, Katherine Gui-Min; Wei, Fangfang; Leung, Peter Kam-Keung; Wu, Siye; Lo, Kenneth Kam-Wing; Wong, Keith Man-Chung","Rhodamine-functionalised rhodium(iii) complexes: dual role as bioimaging agents and controllable reactive oxygen species photosensitisers for photocytotoxicity applications.","Chemical science","2025","16","46","22127","22135","10.1039/d5sc05257b","","","0.71073","MoKα","","0.1203","0.1077","","","0.33","0.3541","","","","","","1.542","","","","has coordinates,has disorder","303650","2025-11-29","18:34:17",""
"1576049","12.9995","0.0005","13.8501","0.0005","16.0709","0.0006","82.958","0.002","86.247","0.003","74.635","0.002","2767.36","0.18","100","2","100.17","","","","","","","","","8","P -1","-P 1","2","","[Rh(dtbq)2Me2-bpy](PF6)","","- C109 H76 Cl10 F12 N12 P2 Rh2 S8 -","- C109 H76 Cl10 F12 N12 P2 Rh2 S8 -","- C109 H76 Cl10 F12 N12 P2 Rh2 S8 -","1","0.5","","Jiang, Katherine Gui-Min; Wei, Fangfang; Leung, Peter Kam-Keung; Wu, Siye; Lo, Kenneth Kam-Wing; Wong, Keith Man-Chung","Rhodamine-functionalised rhodium(iii) complexes: dual role as bioimaging agents and controllable reactive oxygen species photosensitisers for photocytotoxicity applications.","Chemical science","2025","16","46","22127","22135","10.1039/d5sc05257b","","","1.54178","CuKα","","0.0674","0.052","","","0.1333","0.1449","","","","","","1.063","","","","has coordinates,has disorder","303650","2025-11-29","18:34:17",""
"1576050","12.9852","0.0005","19.1585","0.0008","23.6184","0.0009","78.662","0.002","81.419","0.002","79.508","0.002","5625.4","0.4","100","2","100","","","","","","","","","8","P -1","-P 1","2","","[Rh(dpbq)2Me2-bpy](PF6)","","- C126.25 H97 Cl4.5 F12 N12 O P2 Rh2 -","- C126.25 H97 Cl4.5 F12 N12 O P2 Rh2 -","- C252.5 H194 Cl9 F24 N24 O2 P4 Rh4 -","2","1","","Jiang, Katherine Gui-Min; Wei, Fangfang; Leung, Peter Kam-Keung; Wu, Siye; Lo, Kenneth Kam-Wing; Wong, Keith Man-Chung","Rhodamine-functionalised rhodium(iii) complexes: dual role as bioimaging agents and controllable reactive oxygen species photosensitisers for photocytotoxicity applications.","Chemical science","2025","16","46","22127","22135","10.1039/d5sc05257b","","","1.54178","CuKα","","0.0767","0.0697","","","0.1706","0.1755","","","","","","1.085","","","","has coordinates,has disorder","303650","2025-11-29","18:34:17",""
"1576051","15.4576","0.0011","21.8026","0.0017","15.2057","0.0012","90","","90.087","0.003","90","","5124.6","0.7","273.15","","273.15","","","","","","","","synthesised","4","P 1 c 1","P -2yc","7","Meta-Meta macrocycle","Meta-Meta dimer","","- C H N O -","- C120 H116 N16 O16 -","- C240 H232 N32 O32 -","2","1","","Mohanty, Aisworika; Singh, Vijay Pal; Hussain, Ch Mudasar; Dey, Mandira; Ghosh, Debashree; Mukhopadhyay, Pritam; Dasgupta, Jyotishman","An order of magnitude modulation of singlet fission rates in NDI cyclophanes by tuning inter-chromophoric electronic coupling.","Chemical science","2025","16","45","21368","21378","10.1039/d5sc05995j","","","0.71073","MoKα","","0.2715","0.1396","","","0.2141","0.264","","","","","","1.075","","","","has coordinates","303662","2025-11-29","18:41:32",""
"1576052","8.7657","0.0012","12.0705","0.0014","12.3241","0.0014","97.382","0.005","95.436","0.005","103.911","0.004","1244.5","0.3","100","2","100","2","","","","","","","synthesised","4","P -1","-P 1","2","ortho-meta dimer","meta-meta macrocycle","","- C H N O -","- C2.4 H2.4 N0.32 O0.32 -","- C60 H60 N8 O8 -","25","12.5","","Mohanty, Aisworika; Singh, Vijay Pal; Hussain, Ch Mudasar; Dey, Mandira; Ghosh, Debashree; Mukhopadhyay, Pritam; Dasgupta, Jyotishman","An order of magnitude modulation of singlet fission rates in NDI cyclophanes by tuning inter-chromophoric electronic coupling.","Chemical science","2025","16","45","21368","21378","10.1039/d5sc05995j","","","0.71073","MoKα","","0.258","0.1955","","","0.5305","0.5732","","","","","","2.128","","","","has coordinates","303662","2025-11-29","18:41:33",""
"1576053","25.6765","0.0019","25.691","0.0019","22.0059","0.0017","90","","101.66","0.003","90","","14216.7","1.9","193","","193","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C108 H80 N16 O18 Zn7 -","- C108 H80 N16 O18 Zn7 -","- C432 H320 N64 O72 Zn28 -","4","1","","Zhu, Zhenliang; Xiao, Jianfei; Zhang, Min; Huang, Yaoqi; Yuan, Shaojun","Precision pore engineering <i>via</i> fit-topology assembly in a Zn-porphyrin MOF for selective C<sub>2</sub>H<sub>2</sub> capture.","Chemical science","2025","16","47","22638","22646","10.1039/d5sc07319g","","x-ray","1.34139","GaKα","","0.1267","0.1135","","","0.2987","0.3116","","","","","","1.079","","","","has coordinates,has disorder","304088","2025-12-06","22:16:11",""
"1576054","43.884","0.009","5.5853","0.0012","15.05","0.002","90","","92.925","0.012","90","","3684","1.2","150","2","150","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C43.5 H43.5 F2 N2 O5 -","- C43.5 H43.5 F2 N2 O5 -","- C174 H174 F8 N8 O20 -","4","1","","Abd El-Gaber, Mohammed K; Herrick, Ryan M.; Sudhakar, Pranaya; Rana, Ashutosh; Roach, Brent A.; Dick, Jeffrey E.; Altman, Ryan A.","Diselenide-enabled photocatalytic hydroazolation of <i>gem</i>-difluoroalkenes.","Chemical science","2025","16","47","22701","22710","10.1039/d5sc04074d","","","1.54178","CuKα","","0.0848","0.053","","","0.119","0.1338","","","","","","0.971","","","","has coordinates,has disorder","304077","2025-12-06","22:10:14",""
"1576055","5.4907","0.0003","11.8432","0.0008","25.3093","0.0016","90","","93.479","0.003","90","","1642.77","0.18","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 F2 N2 O3 -","- C18 H18 F2 N2 O3 -","- C72 H72 F8 N8 O12 -","4","1","","Abd El-Gaber, Mohammed K; Herrick, Ryan M.; Sudhakar, Pranaya; Rana, Ashutosh; Roach, Brent A.; Dick, Jeffrey E.; Altman, Ryan A.","Diselenide-enabled photocatalytic hydroazolation of <i>gem</i>-difluoroalkenes.","Chemical science","2025","16","47","22701","22710","10.1039/d5sc04074d","","","0.71073","MoKα","","0.0609","0.0422","","","0.1021","0.1125","","","","","","1.02","","","","has coordinates","304077","2025-12-06","22:10:17",""
"1576056","25.479","0.0012","5.0337","0.0002","13.4427","0.0007","90","","102.449","0.002","90","","1683.54","0.14","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","3-bromo-7-(1,1-difluoro-2-(3,4,5-trimethoxyphenyl)ethyl)-7H-pyrrolo[2,3-b]pyridine","","- C18 H17 Br F2 N2 O3 -","- C18 H17 Br F2 N2 O3 -","- C72 H68 Br4 F8 N8 O12 -","4","1","","Abd El-Gaber, Mohammed K; Herrick, Ryan M.; Sudhakar, Pranaya; Rana, Ashutosh; Roach, Brent A.; Dick, Jeffrey E.; Altman, Ryan A.","Diselenide-enabled photocatalytic hydroazolation of <i>gem</i>-difluoroalkenes.","Chemical science","2025","16","47","22701","22710","10.1039/d5sc04074d","","","0.71073","MoKα","","0.0523","0.0402","","","0.0865","0.0926","","","","","","1.089","","","","has coordinates","304077","2025-12-06","22:10:17",""
"1576057","13.662","0.005","5.521","0.002","21.611","0.007","90","","97.246","0.01","90","","1617.1","1","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(1,1-difluoro-2-(3,4,5-trimethoxyphenyl)ethyl)-1H-benzo[d][1,2,3]triazole","","- C17 H17 F2 N3 O3 -","- C17 H17 F2 N3 O3 -","- C68 H68 F8 N12 O12 -","4","1","","Abd El-Gaber, Mohammed K; Herrick, Ryan M.; Sudhakar, Pranaya; Rana, Ashutosh; Roach, Brent A.; Dick, Jeffrey E.; Altman, Ryan A.","Diselenide-enabled photocatalytic hydroazolation of <i>gem</i>-difluoroalkenes.","Chemical science","2025","16","47","22701","22710","10.1039/d5sc04074d","","","0.71073","MoKα","","0.0624","0.0428","","","0.1047","0.1168","","","","","","1.045","","","","has coordinates","304077","2025-12-06","22:10:17",""
"1576058","8.3337","0.0003","8.3855","0.0003","14.3817","0.0005","78.462","0.002","74.211","0.002","63.557","0.001","862.29","0.05","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H17 F2 N3 O5 -","- C18 H17 F2 N3 O5 -","- C36 H34 F4 N6 O10 -","2","1","","Abd El-Gaber, Mohammed K; Herrick, Ryan M.; Sudhakar, Pranaya; Rana, Ashutosh; Roach, Brent A.; Dick, Jeffrey E.; Altman, Ryan A.","Diselenide-enabled photocatalytic hydroazolation of <i>gem</i>-difluoroalkenes.","Chemical science","2025","16","47","22701","22710","10.1039/d5sc04074d","","","0.71073","MoKα","","0.0427","0.0358","","","0.0994","0.1045","","","","","","1.034","","","","has coordinates","304077","2025-12-06","22:10:18",""
"1576059","6.7117","0.0001","12.0184","0.0001","17.045","0.0002","101.24","0.001","99.574","0.001","90.168","0.001","1328.87","0.03","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C27 H25 N3 O8 S2 -","- C27 H25 N3 O8 S2 -","- C54 H50 N6 O16 S4 -","2","1","","Chen, Zijing; Wang, Wenjun; Chen, Baicheng; Chen, Si-Cong; Aoken, Aimila; Wu, Fanrui; Zeng, Guihua; Luo, Tuoping","Desulfurative modification of cysteine residues in peptides and proteins <i>via</i> the installation and photoexcitation of thieno[2,3-<i>c</i>]-pyrroles.","Chemical science","2025","16","46","22091","22100","10.1039/d5sc05199a","","x-ray","1.54184","CuKα","","0.0326","0.0317","","","0.0846","0.0852","","","","","","1.04","","","","has coordinates","303649","2025-11-29","18:33:53",""
"1576062","41.5602","0.001","41.5602","0.001","12.1635","0.0003","90","","90","","120","","18194.7","0.8","100","0.1","100","0.1","","","","","","","","3","R -3 :H","-R 3","148","","","","- C94 H82 N8 -","- C94 H82 N8 -","- C846 H738 N72 -","9","0.5","","Jiang, Tao; Zhou, Yuanbo; Ye, Tao; Liu, Shihao; Li, Ke; Zhao, Xiaohui; Sun, Zhongti; Aratani, Naoki; Yamada, Hiroko; Qiu, Fengxian; Pan, Jianming; Teranishi, Toshiharu; Xue, Songlin","Synthesis of wave-shaped Cu(ii) porphyrin arrays and their electrocatalytic hydrogen evolution activity.","Chemical science","2025","16","47","22498","22503","10.1039/d5sc07383a","","x-ray","1.54184","CuKα","","0.1124","0.0871","","","0.2229","0.2397","","","","","","1.036","","","","has coordinates,has disorder","304084","2025-12-06","22:14:58",""
"1576063","8.804","0.002","18.111","0.004","13.654","0.003","90","","105.923","0.006","90","","2093.6","0.8","293.77","","293.77","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H36 Cu2 I2 N4 O4 -","- C44 H36 Cu2 I2 N4 O4 -","- C88 H72 Cu4 I4 N8 O8 -","2","0.5","","Zhu, Yongkang; Deng, Yongjing; Li, Qianxi; Ding, Ning; Wang, Yulong; Wang, Mengzhu; Zhang, Kenneth Yin; Liu, Shujuan; Zhao, Qiang","Regulating charge transfer of copper(i) coordination compounds <i>via</i> conformation engineering for highly efficient radioluminescence and 3D X-ray imaging.","Chemical science","2025","16","47","22690","22700","10.1039/d5sc06329a","","","0.71073","MoKα","","0.0447","0.0297","","","0.0526","0.0579","","","","","","1.093","","","","has coordinates","304090","2025-12-06","22:16:41",""
"1576064","25.128","0.003","9.0436","0.001","21.557","0.002","90","","101.525","0.005","90","","4800","0.9","298.99","","298.99","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H36 Cu4 I4 N4 O4 -","- C44 H36 Cu4 I4 N4 O4 -","- C176 H144 Cu16 I16 N16 O16 -","4","0.5","","Zhu, Yongkang; Deng, Yongjing; Li, Qianxi; Ding, Ning; Wang, Yulong; Wang, Mengzhu; Zhang, Kenneth Yin; Liu, Shujuan; Zhao, Qiang","Regulating charge transfer of copper(i) coordination compounds <i>via</i> conformation engineering for highly efficient radioluminescence and 3D X-ray imaging.","Chemical science","2025","16","47","22690","22700","10.1039/d5sc06329a","","","0.71073","MoKα","","0.0628","0.039","","","0.0794","0.0897","","","","","","1.019","","","","has coordinates","304090","2025-12-06","22:16:42",""
"1576065","10.993","0.002","10.993","0.002","9.771","0.002","90","","90","","90","","1180.8","0.4","292.26","","292.26","","","","","","","","","6","P -4","P -4","81","","","","- C44 H36 Cu4 I4 N4 O4 -","- C44 H36 Cu4 I4 N4 O4 -","- C44 H36 Cu4 I4 N4 O4 -","1","0.25","","Zhu, Yongkang; Deng, Yongjing; Li, Qianxi; Ding, Ning; Wang, Yulong; Wang, Mengzhu; Zhang, Kenneth Yin; Liu, Shujuan; Zhao, Qiang","Regulating charge transfer of copper(i) coordination compounds <i>via</i> conformation engineering for highly efficient radioluminescence and 3D X-ray imaging.","Chemical science","2025","16","47","22690","22700","10.1039/d5sc06329a","","","0.71073","MoKα","","0.131","0.0628","","","0.0682","0.0791","","","","","","1.131","","","","has coordinates","304090","2025-12-06","22:16:42",""
"1576066","30.202","0.003","9.5466","0.0008","23.1505","0.0017","90","","103.92","0.002","90","","6478.9","1","90","2","90","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C49 H100 Ge3 Si8 -","- C49 H100 Ge3 Si8 -","- C196 H400 Ge12 Si32 -","4","0.5","","Uchida, Daichi; Yamada, Hiroko; Mizuhata, Yoshiyuki","A neutral homoaromatic heavy allene as a platform for selective conversion to a germylene-coordinated digermavinylidene.","Chemical science","2025","16","47","22597","22602","10.1039/d5sc07177a","","","0.71073","MoKα","","0.0853","0.0567","","","0.1359","0.1559","","","","","","1.04","","","","has coordinates,has disorder","304081","2025-12-06","22:13:11",""
"1576067","22.649","0.004","13.124","0.002","26.722","0.004","90","","91.74","0.006","90","","7939","2","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C67 H118 Ge2 K2 Si8 -","- C67 H118 Ge2 K2 Si8 -","- C268 H472 Ge8 K8 Si32 -","4","1","","Uchida, Daichi; Yamada, Hiroko; Mizuhata, Yoshiyuki","A neutral homoaromatic heavy allene as a platform for selective conversion to a germylene-coordinated digermavinylidene.","Chemical science","2025","16","47","22597","22602","10.1039/d5sc07177a","","","0.71073","MoKα","","0.0655","0.0406","","","0.0849","0.0959","","","","","","1.027","","","","has coordinates","304081","2025-12-06","22:13:12",""
"1576068","12.6987","0.0005","16.2715","0.0006","19.6919","0.0007","93.615","0.001","97.189","0.001","109.037","0.001","3792.6","0.2","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H116 Ge3 N2 Si8 -","- C62 H116 Ge3 N2 Si8 -","- C124 H232 Ge6 N4 Si16 -","2","1","","Uchida, Daichi; Yamada, Hiroko; Mizuhata, Yoshiyuki","A neutral homoaromatic heavy allene as a platform for selective conversion to a germylene-coordinated digermavinylidene.","Chemical science","2025","16","47","22597","22602","10.1039/d5sc07177a","","","0.71073","MoKα","","0.0399","0.0306","","","0.0764","0.0818","","","","","","1.046","","","","has coordinates","304081","2025-12-06","22:13:12",""
"1576069","7.0199","0.0002","16.2513","0.0005","18.7458","0.0006","90","","90","","90","","2138.57","0.11","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H23 N3 O7 S -","- C21 H23 N3 O7 S -","- C84 H92 N12 O28 S4 -","4","1","","Seyrani, Hassan; Heidarzadeh Vazifehkhorani, Hossein; Outlaw, Victor K.","Chemoselective sulfonyl fluoride exchange (SuFEx)-induced macrocyclization of tyrosine-containing peptides in aqueous media.","Chemical science","2025","16","45","21359","21367","10.1039/d5sc06993a","","","0.71073","MoKα","","0.0411","0.0335","","","0.0827","0.0908","","","","","","1.109","","","","has coordinates","303665","2025-11-29","18:42:26",""
"1576072","17.14","0.0002","16.0326","0.0002","10.655","0.0001","90","","106.661","0.001","90","","2805.06","0.06","93","","93","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H18 B2 F8 Fe N10 O4 -","- C24 H18 B2 F8 Fe N10 O4 -","- C96 H72 B8 F32 Fe4 N40 O16 -","4","0.5","","Fukui, Tomoya; Tsuchiya, Masahiro; Mita, Naoya; Fukushima, Takanori","Wrapping a single crystal spin-crossover complex with a single crystal non-spin-crossover complex to modulate the spin-transition temperature.","Chemical science","2025","16","47","22387","22393","10.1039/d5sc04311e","","x-ray","1.54184","CuKα","","0.0281","0.0272","","","0.0703","0.0708","","","","","","1.1","","","","has coordinates","304085","2025-12-06","22:15:15",""
"1576073","16.9753","0.0002","16.4202","0.0002","10.5304","0.0001","90","","104.619","0.001","90","","2840.19","0.06","93","2","93","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H18 B2 Co F8 N10 O4 -","- C24 H18 B2 Co F8 N10 O4 -","- C96 H72 B8 Co4 F32 N40 O16 -","4","0.5","","Fukui, Tomoya; Tsuchiya, Masahiro; Mita, Naoya; Fukushima, Takanori","Wrapping a single crystal spin-crossover complex with a single crystal non-spin-crossover complex to modulate the spin-transition temperature.","Chemical science","2025","16","47","22387","22393","10.1039/d5sc04311e","","x-ray","1.54184","CuKα","","0.0489","0.0479","","","0.1315","0.1326","","","","","","1.044","","","","has coordinates","304085","2025-12-06","22:15:16",""
"1576074","16.5259","0.0004","10.511","0.0003","16.4296","0.0004","90","","90","","90","","2853.88","0.13","93.15","","93.15","","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C24 H18 B2 F8 N10 O4 Zn -","- C24 H18 B2 F8 N10 O4 Zn -","- C96 H72 B8 F32 N40 O16 Zn4 -","4","0.5","","Fukui, Tomoya; Tsuchiya, Masahiro; Mita, Naoya; Fukushima, Takanori","Wrapping a single crystal spin-crossover complex with a single crystal non-spin-crossover complex to modulate the spin-transition temperature.","Chemical science","2025","16","47","22387","22393","10.1039/d5sc04311e","","x-ray","1.54184","CuKα","","0.0401","0.0345","","","0.0867","0.0901","","","","","","1.039","","","","has coordinates","304085","2025-12-06","22:15:16",""
"1576075","16.9573","0.0002","16.5167","0.0002","10.5067","0.0001","90","","104.504","0.001","90","","2848.92","0.06","93","2","93","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H18 B2 F8 N10 O4 Zn -","- C24 H18 B2 F8 N10 O4 Zn -","- C96 H72 B8 F32 N40 O16 Zn4 -","4","0.5","","Fukui, Tomoya; Tsuchiya, Masahiro; Mita, Naoya; Fukushima, Takanori","Wrapping a single crystal spin-crossover complex with a single crystal non-spin-crossover complex to modulate the spin-transition temperature.","Chemical science","2025","16","47","22387","22393","10.1039/d5sc04311e","","x-ray","1.54184","CuKα","","0.0522","0.0503","","","0.1388","0.141","","","","","","1.052","","","","has coordinates","304085","2025-12-06","22:15:16",""
"1576076","17.3355","0.0003","16.5509","0.0002","10.6777","0.0002","90","","104.984","0.002","90","","2959.46","0.09","393.15","","393.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H18 B2 F8 Fe N10 O4 -","- C24 H18 B2 F8 Fe N10 O4 -","- C96 H72 B8 F32 Fe4 N40 O16 -","4","0.5","","Fukui, Tomoya; Tsuchiya, Masahiro; Mita, Naoya; Fukushima, Takanori","Wrapping a single crystal spin-crossover complex with a single crystal non-spin-crossover complex to modulate the spin-transition temperature.","Chemical science","2025","16","47","22387","22393","10.1039/d5sc04311e","","x-ray","1.54184","CuKα","","0.0552","0.0544","","","0.1606","0.1614","","","","","","1.084","","","","has coordinates","304085","2025-12-06","22:15:16",""
"1576077","16.44377","0.00006","10.53198","0.00005","16.45174","0.00007","90","","90","","90","","2849.2","0.02","93","2","93","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C24 H18 B2 Co F8 N10 O4 -","- C24 H18 B2 Co F8 N10 O4 -","- C96 H72 B8 Co4 F32 N40 O16 -","4","0.5","","Fukui, Tomoya; Tsuchiya, Masahiro; Mita, Naoya; Fukushima, Takanori","Wrapping a single crystal spin-crossover complex with a single crystal non-spin-crossover complex to modulate the spin-transition temperature.","Chemical science","2025","16","47","22387","22393","10.1039/d5sc04311e","","x-ray","1.54184","CuKα","","0.0388","0.0382","","","0.1009","0.1015","","","","","","1.068","","","","has coordinates","304085","2025-12-06","22:15:16",""
"1576081","10.261","0.004","26.202","0.009","7.141","0.002","90","","90.436","0.005","90","","1919.9","1.1","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H21 Cu N2 O -","- C23 H21 Cu N2 O -","- C92 H84 Cu4 N8 O4 -","4","1","","Chakraborty, Soumi; Agyekum, Kianna; Kim, Dooyoung; Teets, Thomas S.","Ligand substituents modulate excited-state lifetime and energy-transfer reactivity in Cu(i) photosensitizers supported by salicylaldimine and isocyanide ligands.","Chemical science","2025","16","47","22527","22535","10.1039/d5sc07286g","","","0.71073","MoKα","","0.035","0.0277","","","0.0692","0.0725","","","","","","1.033","","","","has coordinates","304092","2025-12-06","22:17:10",""
"1576082","9.201","0.005","14.371","0.008","17.738","0.01","84.919","0.006","89.323","0.006","73.694","0.006","2242","2","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H17 Cu F6 N2 O -","- C24 H17 Cu F6 N2 O -","- C96 H68 Cu4 F24 N8 O4 -","4","2","","Chakraborty, Soumi; Agyekum, Kianna; Kim, Dooyoung; Teets, Thomas S.","Ligand substituents modulate excited-state lifetime and energy-transfer reactivity in Cu(i) photosensitizers supported by salicylaldimine and isocyanide ligands.","Chemical science","2025","16","47","22527","22535","10.1039/d5sc07286g","","","0.71073","MoKα","","0.0578","0.0398","","","0.1038","0.1151","","","","","","1.041","","","","has coordinates","304092","2025-12-06","22:17:11",""
"1576083","11.7921","0.0009","13.694","0.0011","26.008","0.002","90","","100.426","0.004","90","","4130.5","0.6","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C49 H57 Cu N2 O -","- C49 H57 Cu N2 O -","- C196 H228 Cu4 N8 O4 -","4","1","","Chakraborty, Soumi; Agyekum, Kianna; Kim, Dooyoung; Teets, Thomas S.","Ligand substituents modulate excited-state lifetime and energy-transfer reactivity in Cu(i) photosensitizers supported by salicylaldimine and isocyanide ligands.","Chemical science","2025","16","47","22527","22535","10.1039/d5sc07286g","","","1.54178","CuKα","","0.0353","0.0334","","","0.0929","0.0946","","","","","","1.031","","","","has coordinates","304092","2025-12-06","22:17:11",""
"1576084","10.39","0.009","10.781","0.009","12.163","0.011","64.965","0.009","87.971","0.01","66.385","0.009","1116.2","1.7","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H25 Cu N2 O -","- C25 H25 Cu N2 O -","- C50 H50 Cu2 N4 O2 -","2","1","","Chakraborty, Soumi; Agyekum, Kianna; Kim, Dooyoung; Teets, Thomas S.","Ligand substituents modulate excited-state lifetime and energy-transfer reactivity in Cu(i) photosensitizers supported by salicylaldimine and isocyanide ligands.","Chemical science","2025","16","47","22527","22535","10.1039/d5sc07286g","","","0.71073","MoKα","","0.0576","0.0384","","","0.0787","0.0857","","","","","","1.022","","","","has coordinates","304092","2025-12-06","22:17:11",""
"1576085","9.466","0.003","11.606","0.003","13.062","0.004","93.187","0.003","92.645","0.003","110.455","0.002","1339.2","0.7","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H27 Cu N2 O -","- C34 H27 Cu N2 O -","- C68 H54 Cu2 N4 O2 -","2","1","","Chakraborty, Soumi; Agyekum, Kianna; Kim, Dooyoung; Teets, Thomas S.","Ligand substituents modulate excited-state lifetime and energy-transfer reactivity in Cu(i) photosensitizers supported by salicylaldimine and isocyanide ligands.","Chemical science","2025","16","47","22527","22535","10.1039/d5sc07286g","","","0.71073","MoKα","","0.0464","0.0406","","","0.0977","0.1007","","","","","","1.082","","","","has coordinates,has disorder","304092","2025-12-06","22:17:11",""
"1576086","12.6043","0.0009","18.9057","0.0012","19.293","0.0013","90","","90","","90","","4597.4","0.5","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H29 Cu N2 O -","- C27 H29 Cu N2 O -","- C216 H232 Cu8 N16 O8 -","8","1","","Chakraborty, Soumi; Agyekum, Kianna; Kim, Dooyoung; Teets, Thomas S.","Ligand substituents modulate excited-state lifetime and energy-transfer reactivity in Cu(i) photosensitizers supported by salicylaldimine and isocyanide ligands.","Chemical science","2025","16","47","22527","22535","10.1039/d5sc07286g","","","1.54184","CuKα","","0.0309","0.0302","","","0.0828","0.0832","","","","","","1.05","","","","has coordinates","304092","2025-12-06","22:17:11",""
"1576089","11.6848","0.0014","18.141","0.002","22.734","0.003","84.532","0.005","82.784","0.004","77.108","0.004","4649","1","150","2","150","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C87 H50 Dy F27 N2 O6 S6 -","- C87 H50 Dy F26.997 N2 O6 S6 -","- C174 H100 Dy2 F53.994 N4 O12 S12 -","2","1","","Phan, Tuan-Anh; Gendron, Frédéric; Kiraev, Salauat; Galangau, Olivier; Fréroux, Yoann; Al Sabea, Hassan; Mittelheisser, Cédric; Dallon, Marie; Bouchet, Aude; Riobé, François; Métivier, Remi; Sliwa, Michel; Le Guennic, Boris; Maury, Olivier; Banyasz, Akos; Marekha, Bogdan; Norel, Lucie; Rigaut, Stéphane","From erbium(iii) to samarium(iii): generalized photomodulation of NIR to red lanthanide luminescence with a DTE ligand and its versatile role in the quenching processes.","Chemical science","2025","16","47","22504","22516","10.1039/d5sc07174g","","x-ray","0.71073","MoKα","","0.0947","0.0786","","","0.1976","0.2111","","","","","","1.06","","","","has coordinates,has disorder","304086","2025-12-06","22:15:32",""
"1576101","14.995","0.003","15.093","0.003","19.626","0.003","78.515","0.005","89.878","0.006","85.166","0.005","4336.8","1.4","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C91 H123 Cl3 O4 Si4 -","- C90 H122 O4 Si4 -","- C180 H244 O8 Si8 -","2","1","","Nishijima, Tomohiko; Takahata, Kazuki; Goseki, Raita; Homma, Chihiro; Kuwata, Shigeki; Ishizone, Takashi","One-pot synthesis of sequence-controlled macromonomers <i>via</i> living anionic addition reaction and subsequent acyclic diene metathesis polymerization.","Chemical science","2025","16","46","21791","21796","10.1039/d5sc05910k","","","0.71075","MoKα","","0.1579","0.1202","","","0.3337","0.3741","","","","","","1.092","","","","has coordinates,has disorder","303647","2025-11-29","18:33:26",""
"1576102","18.87381","0.00018","20.98788","0.00015","21.87668","0.00018","90","","90","","90","","8665.82","0.13","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C48.61 H38.44 Cu F6 N2 O1.61 P3 -","- C48.609 H38.436 Cu F6 N2 O1.609 P3 -","- C388.872 H307.488 Cu8 F48 N16 O12.872 P24 -","8","2","","Karimata, Ayumu; Ilatovskii, Daniil; Fayzullin, Robert R.; Komoto, Shinya; Bruhacs, Andrew; Khaskin, Eugene; Khusnutdinova, Julia R.","Mechanoluminescence from amorphous solids of heteroleptic copper complexes and common luminophores induced by non-destructive mechanical stimuli and fabrication of flexible mechanoluminescent films.","Chemical science","2025","16","47","22376","22386","10.1039/d5sc05673j","","x-ray","1.54184","CuKα","","0.0603","0.055","","","0.1455","0.1502","","","","","","1.031","","","","has coordinates","304079","2025-12-06","22:11:38",""
"1576103","11.4215","0.0002","14.9356","0.0003","25.5769","0.0005","90","","95.8728","0.0017","90","","4340.19","0.14","100","2","100","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C48.5 H38 B Cl Cu F4 N3 O P2 -","- C48.5 H38 B Cl Cu F4 N3 O P2 -","- C194 H152 B4 Cl4 Cu4 F16 N12 O4 P8 -","4","1","","Karimata, Ayumu; Ilatovskii, Daniil; Fayzullin, Robert R.; Komoto, Shinya; Bruhacs, Andrew; Khaskin, Eugene; Khusnutdinova, Julia R.","Mechanoluminescence from amorphous solids of heteroleptic copper complexes and common luminophores induced by non-destructive mechanical stimuli and fabrication of flexible mechanoluminescent films.","Chemical science","2025","16","47","22376","22386","10.1039/d5sc05673j","","x-ray","0.71073","MoKα","","0.0534","0.0397","","","0.0945","0.0995","","","","","","1.027","","","","has coordinates,has disorder","304079","2025-12-06","22:11:50",""
"1576104","9.48933","0.00012","12.40123","0.00019","19.1265","0.0003","86.5801","0.0013","78.8653","0.0012","72.8985","0.0012","2110.77","0.06","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C49 H38 Cl2 Cu N3 O P2 -","- C49 H38 Cl2 Cu N3 O P2 -","- C98 H76 Cl4 Cu2 N6 O2 P4 -","2","1","","Karimata, Ayumu; Ilatovskii, Daniil; Fayzullin, Robert R.; Komoto, Shinya; Bruhacs, Andrew; Khaskin, Eugene; Khusnutdinova, Julia R.","Mechanoluminescence from amorphous solids of heteroleptic copper complexes and common luminophores induced by non-destructive mechanical stimuli and fabrication of flexible mechanoluminescent films.","Chemical science","2025","16","47","22376","22386","10.1039/d5sc05673j","","x-ray","0.71073","MoKα","","0.0566","0.0464","","","0.1304","0.1359","","","","","","1.038","","","","has coordinates","304079","2025-12-06","22:11:50",""
"1576105","10.6436","0.0003","19.9659","0.0007","20.2453","0.0006","103.151","0.003","90.526","0.004","90.257","0.003","4189.2","0.2","100","2","100","2","","","","","","","","8","P 1","P 1","1","","","","- C47.5 H34 Cl Cu F6 N2 O P2 -","- C47.5 H34 Cl Cu F6 N2 O P2 -","- C190 H136 Cl4 Cu4 F24 N8 O4 P8 -","4","4","","Karimata, Ayumu; Ilatovskii, Daniil; Fayzullin, Robert R.; Komoto, Shinya; Bruhacs, Andrew; Khaskin, Eugene; Khusnutdinova, Julia R.","Mechanoluminescence from amorphous solids of heteroleptic copper complexes and common luminophores induced by non-destructive mechanical stimuli and fabrication of flexible mechanoluminescent films.","Chemical science","2025","16","47","22376","22386","10.1039/d5sc05673j","","x-ray","1.54184","CuKα","","0.0401","0.0381","","","0.1143","0.1234","","","","","","1.039","","","","has coordinates","304079","2025-12-06","22:11:50",""
"1576106","22.6939","0.0003","12.92708","0.00016","29.8774","0.0004","90","","90.1326","0.0011","90","","8765","0.2","100","2","100","2","","","","","","","","8","I 1 2/a 1","-I 2ya","15","","","","- C48 H35 Cl2 Cu F6 N2 O P2 -","- C48 H35 Cl2 Cu F6 N2 O P2 -","- C384 H280 Cl16 Cu8 F48 N16 O8 P16 -","8","1","","Karimata, Ayumu; Ilatovskii, Daniil; Fayzullin, Robert R.; Komoto, Shinya; Bruhacs, Andrew; Khaskin, Eugene; Khusnutdinova, Julia R.","Mechanoluminescence from amorphous solids of heteroleptic copper complexes and common luminophores induced by non-destructive mechanical stimuli and fabrication of flexible mechanoluminescent films.","Chemical science","2025","16","47","22376","22386","10.1039/d5sc05673j","","x-ray","0.71073","MoKα","","0.0529","0.0442","","","0.125","0.1305","","","","","","1.053","","","","has coordinates,has disorder","304079","2025-12-06","22:11:50",""
"1576107","10.90096","0.00012","12.11864","0.00013","18.7704","0.0002","105.703","0.0009","95.5373","0.0009","105.463","0.001","2262.38","0.05","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C52 H43 Cu F6 N3 O P3 -","- C52 H43 Cu F6 N3 O P3 -","- C104 H86 Cu2 F12 N6 O2 P6 -","2","2","","Karimata, Ayumu; Ilatovskii, Daniil; Fayzullin, Robert R.; Komoto, Shinya; Bruhacs, Andrew; Khaskin, Eugene; Khusnutdinova, Julia R.","Mechanoluminescence from amorphous solids of heteroleptic copper complexes and common luminophores induced by non-destructive mechanical stimuli and fabrication of flexible mechanoluminescent films.","Chemical science","2025","16","47","22376","22386","10.1039/d5sc05673j","","x-ray","1.54184","CuKα","","0.0618","0.0617","","","0.17","0.1702","","","","","","1.019","","","","has coordinates","304079","2025-12-06","22:11:50",""
"1576108","10.7843","0.0002","14.4377","0.0003","28.923","0.0007","90","","98.4107","0.0019","90","","4454.89","0.17","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C52 H43 B Cu F4 N3 O P2 -","- C52 H43 B Cu F4 N3 O P2 -","- C208 H172 B4 Cu4 F16 N12 O4 P8 -","4","1","","Karimata, Ayumu; Ilatovskii, Daniil; Fayzullin, Robert R.; Komoto, Shinya; Bruhacs, Andrew; Khaskin, Eugene; Khusnutdinova, Julia R.","Mechanoluminescence from amorphous solids of heteroleptic copper complexes and common luminophores induced by non-destructive mechanical stimuli and fabrication of flexible mechanoluminescent films.","Chemical science","2025","16","47","22376","22386","10.1039/d5sc05673j","","x-ray","0.71073","MoKα","","0.0367","0.0307","","","0.0763","0.0782","","","","","","1.043","","","","has coordinates","304079","2025-12-06","22:11:50",""
"1576109","11.49247","0.00016","14.4077","0.0002","32.1564","0.0005","90","","93.1745","0.0012","90","","5316.29","0.13","100","2","100","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C53 H42 Cl6 Cu F3 N2 O4 P2 S -","- C52.999 H41.999 Cl5.997 Cu F3 N2 O4 P2 S -","- C211.996 H167.996 Cl23.988 Cu4 F12 N8 O16 P8 S4 -","4","1","","Karimata, Ayumu; Ilatovskii, Daniil; Fayzullin, Robert R.; Komoto, Shinya; Bruhacs, Andrew; Khaskin, Eugene; Khusnutdinova, Julia R.","Mechanoluminescence from amorphous solids of heteroleptic copper complexes and common luminophores induced by non-destructive mechanical stimuli and fabrication of flexible mechanoluminescent films.","Chemical science","2025","16","47","22376","22386","10.1039/d5sc05673j","","x-ray","0.71073","MoKα","","0.0672","0.0534","","","0.1173","0.1231","","","","","","1.054","","","","has coordinates,has disorder","304079","2025-12-06","22:11:50",""
"1576110","10.67","0.00013","12.30491","0.00015","18.117","0.0002","96.1964","0.001","103.408","0.001","103.572","0.0011","2215.8","0.05","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H37 Cu F3 N3 O2 P2 -","- C46 H37 Cu F3 N3 O2 P2 -","- C92 H74 Cu2 F6 N6 O4 P4 -","2","1","","Karimata, Ayumu; Ilatovskii, Daniil; Fayzullin, Robert R.; Komoto, Shinya; Bruhacs, Andrew; Khaskin, Eugene; Khusnutdinova, Julia R.","Mechanoluminescence from amorphous solids of heteroleptic copper complexes and common luminophores induced by non-destructive mechanical stimuli and fabrication of flexible mechanoluminescent films.","Chemical science","2025","16","47","22376","22386","10.1039/d5sc05673j","","x-ray","0.71073","MoKα","","0.048","0.0361","","","0.0916","0.0964","","","","","","1.02","","","","has coordinates,has disorder","304079","2025-12-06","22:11:50",""
"1576111","10.1704","0.001","13.3855","0.0013","14.4409","0.0014","97.369","0.005","105.709","0.005","97.202","0.005","1850.3","0.3","150.15","","150.15","","","","","","","","","4","P 1","P 1","1","","","","- C24 H32 B4 Hf -","- C24 H32 B4 Hf -","- C72 H96 B12 Hf3 -","3","3","","Hansen, Hannah M.; Zgrabik, Joshua C.; Zacher, 3rd, Peter A; Schuely, Jacob J.; Amano, Emily M.; Yang, Mai Yer; Unruh, Daniel K.; Zuin, Lucia; Keith, Jason M.; Daly, Scott R.","Direct measurement of covalent three-center, two-electron M-H-B bonding in Zr and Hf borohydrides using B K-edge XAS.","Chemical science","2025","16","47","22333","22347","10.1039/d5sc06254c","","","0.71073","MoKα","","0.0231","0.0216","","","0.044","0.0446","","","","","","1.044","","","","has coordinates","304080","2025-12-06","22:12:41",""
"1576112","15.3985","0.0005","5.8044","0.0002","30.8545","0.0009","90","","101.007","0.001","90","","2707.01","0.15","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H40 B4 Zr -","- C28 H40 B4 Zr -","- C112 H160 B16 Zr4 -","4","1","","Hansen, Hannah M.; Zgrabik, Joshua C.; Zacher, 3rd, Peter A; Schuely, Jacob J.; Amano, Emily M.; Yang, Mai Yer; Unruh, Daniel K.; Zuin, Lucia; Keith, Jason M.; Daly, Scott R.","Direct measurement of covalent three-center, two-electron M-H-B bonding in Zr and Hf borohydrides using B K-edge XAS.","Chemical science","2025","16","47","22333","22347","10.1039/d5sc06254c","","","0.71073","MoKα","","0.0494","0.0353","","","0.0753","0.0807","","","","","","1.041","","","","has coordinates","304080","2025-12-06","22:12:45",""
"1576113","5.6539","0.0004","14.0343","0.0009","17.6063","0.0009","100.023","0.002","93.296","0.002","99.554","0.002","1351.25","0.15","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C28 H40 B4 Hf -","- C28 H40 B4 Hf -","- C56 H80 B8 Hf2 -","2","1","","Hansen, Hannah M.; Zgrabik, Joshua C.; Zacher, 3rd, Peter A; Schuely, Jacob J.; Amano, Emily M.; Yang, Mai Yer; Unruh, Daniel K.; Zuin, Lucia; Keith, Jason M.; Daly, Scott R.","Direct measurement of covalent three-center, two-electron M-H-B bonding in Zr and Hf borohydrides using B K-edge XAS.","Chemical science","2025","16","47","22333","22347","10.1039/d5sc06254c","","","0.71073","MoKα","","0.0211","0.0193","","","0.0439","0.045","","","","","","1.031","","","","has coordinates","304080","2025-12-06","22:12:47",""
"1576114","11.4273","0.0006","14.7865","0.0006","16.3784","0.0008","111.604","0.001","91.319","0.002","106.821","0.002","2436.7","0.2","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C63 H56 B4 Hf -","- C63 H56 B4 Hf -","- C126 H112 B8 Hf2 -","2","1","","Hansen, Hannah M.; Zgrabik, Joshua C.; Zacher, 3rd, Peter A; Schuely, Jacob J.; Amano, Emily M.; Yang, Mai Yer; Unruh, Daniel K.; Zuin, Lucia; Keith, Jason M.; Daly, Scott R.","Direct measurement of covalent three-center, two-electron M-H-B bonding in Zr and Hf borohydrides using B K-edge XAS.","Chemical science","2025","16","47","22333","22347","10.1039/d5sc06254c","","","0.71073","MoKα","","0.0317","0.0263","","","0.0579","0.0602","","","","","","1.098","","","","has coordinates","304080","2025-12-06","22:12:48",""
"1576115","10.1671","0.001","13.3719","0.0013","14.4875","0.0013","97.458","0.005","105.662","0.005","97.063","0.005","1854.5","0.3","150.15","","150.15","","","","","","","","","4","P 1","P 1","1","","","","- C24 H32 B4 Zr -","- C24 H32 B4 Zr -","- C72 H96 B12 Zr3 -","3","3","","Hansen, Hannah M.; Zgrabik, Joshua C.; Zacher, 3rd, Peter A; Schuely, Jacob J.; Amano, Emily M.; Yang, Mai Yer; Unruh, Daniel K.; Zuin, Lucia; Keith, Jason M.; Daly, Scott R.","Direct measurement of covalent three-center, two-electron M-H-B bonding in Zr and Hf borohydrides using B K-edge XAS.","Chemical science","2025","16","47","22333","22347","10.1039/d5sc06254c","","","0.71073","MoKα","","0.0269","0.0251","","","0.0581","0.0599","","","","","","1.035","","","","has coordinates","304080","2025-12-06","22:12:49",""
"1576116","11.4439","0.0005","14.8148","0.0006","16.3854","0.0005","111.293","0.001","91.346","0.001","107.027","0.001","2448.46","0.17","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C63 H56 B4 Zr -","- C63 H56 B4 Zr -","- C126 H112 B8 Zr2 -","2","1","","Hansen, Hannah M.; Zgrabik, Joshua C.; Zacher, 3rd, Peter A; Schuely, Jacob J.; Amano, Emily M.; Yang, Mai Yer; Unruh, Daniel K.; Zuin, Lucia; Keith, Jason M.; Daly, Scott R.","Direct measurement of covalent three-center, two-electron M-H-B bonding in Zr and Hf borohydrides using B K-edge XAS.","Chemical science","2025","16","47","22333","22347","10.1039/d5sc06254c","","","0.71073","MoKα","","0.0548","0.0395","","","0.0906","0.0985","","","","","","1.043","","","","has coordinates,has disorder","304080","2025-12-06","22:12:50",""
"1576117","27.2122","0.0013","20.4002","0.0011","25.5853","0.0016","90","","121.975","0.001","90","","12048.3","1.2","100","","100","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C60 H104 B4 Hf -","- C60 H104 B4 Hf -","- C480 H832 B32 Hf8 -","8","2","","Hansen, Hannah M.; Zgrabik, Joshua C.; Zacher, 3rd, Peter A; Schuely, Jacob J.; Amano, Emily M.; Yang, Mai Yer; Unruh, Daniel K.; Zuin, Lucia; Keith, Jason M.; Daly, Scott R.","Direct measurement of covalent three-center, two-electron M-H-B bonding in Zr and Hf borohydrides using B K-edge XAS.","Chemical science","2025","16","47","22333","22347","10.1039/d5sc06254c","","","0.71073","MoKα","","0.0331","0.0298","","","0.0604","0.0617","","","","","","1.031","","","","has coordinates,has disorder","304080","2025-12-06","22:12:50",""
"1576120","10.1234","0.0001","10.901","0.0001","51.131","0.0003","90","","90","","90","","5642.57","0.08","119.99","0.1","119.99","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H37 Br N P Pd -","- C28 H37 Br N P Pd -","- C224 H296 Br8 N8 P8 Pd8 -","8","2","","Zhang, Cheng; Leforestier, Baptiste; Besnard, Céline; Mazet, Clément","Pd-catalyzed regiodivergent arylation of cyclic allylboronates.","Chemical science","2025","16","47","22656","22665","10.1039/d5sc07577g","","x-ray","1.54184","CuKα","","0.0416","0.0415","","","0.1099","0.11","","","","","","1.102","","","","has coordinates","304087","2025-12-06","22:15:56",""
"1576121","19.2654","0.0001","15.4089","0.0001","18.5647","0.0001","90","","99.003","0.001","90","","5443.2","0.06","120","0.11","120.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C50 H80 Br2 N2 O3 P2 Pd2 -","- C50 H80 Br2 N2 O3 P2 Pd2 -","- C200 H320 Br8 N8 O12 P8 Pd8 -","4","1","","Zhang, Cheng; Leforestier, Baptiste; Besnard, Céline; Mazet, Clément","Pd-catalyzed regiodivergent arylation of cyclic allylboronates.","Chemical science","2025","16","47","22656","22665","10.1039/d5sc07577g","","","1.54184","CuKα","","0.0363","0.0353","","","0.1022","0.1031","","","","","","1.079","","","","has coordinates","304087","2025-12-06","22:15:57",""
"1576122","9.1635","0.0006","15.4314","0.0011","18.7645","0.0013","90","","99.482","0.006","90","","2617.2","0.3","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H42 Fe O2 P4 -","- C22 H42 Fe O2 P4 -","- C88 H168 Fe4 O8 P16 -","4","1","","Cockcroft, Joseph H. P.; Flook, Annabel; Boaler, Patrick J.; Nichol, Gary S.; Holt, Jarle; Smit, Joost; Garden, Jennifer A.; Thomas, Stephen P.","Molecular-level insight into the multiple mechanistic pathways in iron-catalysed alkene dimerisation.","Chemical science","2025","16","47","22394","22406","10.1039/d5sc07490h","","x-ray","1.54184","CuKα","","0.0822","0.0762","","","0.1989","0.2024","","","","","","1.145","","","","has coordinates","304082","2025-12-06","22:14:03",""
"1576123","14.5261","0.0004","8.9654","0.0003","17.424","0.0005","90","","90.007","0.002","90","","2269.17","0.12","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H38 Fe O2 P4 -","- C16 H38 Fe O2 P4 -","- C64 H152 Fe4 O8 P16 -","4","1","","Cockcroft, Joseph H. P.; Flook, Annabel; Boaler, Patrick J.; Nichol, Gary S.; Holt, Jarle; Smit, Joost; Garden, Jennifer A.; Thomas, Stephen P.","Molecular-level insight into the multiple mechanistic pathways in iron-catalysed alkene dimerisation.","Chemical science","2025","16","47","22394","22406","10.1039/d5sc07490h","","","0.71073","MoKα","","0.0384","0.0359","","","0.0949","0.0974","","","","","","1.093","","","","has coordinates,has disorder","304082","2025-12-06","22:14:04",""
"1576124","11.0746","0.0009","20.0081","0.0017","22.2287","0.0019","88.129","0.003","86.55","0.003","87.443","0.003","4909.4","0.7","100.1","","100.1","","","","","","","","","4","P -1","-P 1","2","","","","- C116.5 H126 Fe2 P8 -","- C116.5 H126 Fe2 P8 -","- C233 H252 Fe4 P16 -","2","1","","Cockcroft, Joseph H. P.; Flook, Annabel; Boaler, Patrick J.; Nichol, Gary S.; Holt, Jarle; Smit, Joost; Garden, Jennifer A.; Thomas, Stephen P.","Molecular-level insight into the multiple mechanistic pathways in iron-catalysed alkene dimerisation.","Chemical science","2025","16","47","22394","22406","10.1039/d5sc07490h","","","0.71073","MoKα","","0.0358","0.03","","","0.0783","0.082","","","","","","1.033","","","","has coordinates,has disorder","304082","2025-12-06","22:14:04",""
"1576125","16.3811","0.0004","13.8289","0.0003","19.7524","0.0005","90","","90.48","0.002","90","","4474.41","0.18","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H80 Fe2 P10 -","- C30 H80 Fe2 P10 -","- C120 H320 Fe8 P40 -","4","1","","Cockcroft, Joseph H. P.; Flook, Annabel; Boaler, Patrick J.; Nichol, Gary S.; Holt, Jarle; Smit, Joost; Garden, Jennifer A.; Thomas, Stephen P.","Molecular-level insight into the multiple mechanistic pathways in iron-catalysed alkene dimerisation.","Chemical science","2025","16","47","22394","22406","10.1039/d5sc07490h","","x-ray","0.71073","MoKα","","0.1019","0.0816","","","0.199","0.2123","","","","","","1.074","","","","has coordinates,has disorder","304082","2025-12-06","22:14:04",""
"1576126","9.1847","0.0001","20.602","0.0003","14.6513","0.0003","90","","92.907","0.002","90","","2768.8","0.08","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H46 Fe O4 P4 -","- C21 H46 Fe O4 P4 -","- C84 H184 Fe4 O16 P16 -","4","1","","Cockcroft, Joseph H. P.; Flook, Annabel; Boaler, Patrick J.; Nichol, Gary S.; Holt, Jarle; Smit, Joost; Garden, Jennifer A.; Thomas, Stephen P.","Molecular-level insight into the multiple mechanistic pathways in iron-catalysed alkene dimerisation.","Chemical science","2025","16","47","22394","22406","10.1039/d5sc07490h","","x-ray","0.71073","MoKα","","0.0664","0.0467","","","0.0975","0.1032","","","","","","1.141","","","","has coordinates,has disorder","304082","2025-12-06","22:14:04",""
"1576127","16.86988","0.00018","15.39782","0.00016","17.24096","0.00019","90","","90","","90","","4478.5","0.08","120","0.1","120","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H40 Fe O2 P4 -","- C17 H40 Fe O2 P4 -","- C136 H320 Fe8 O16 P32 -","8","1","","Cockcroft, Joseph H. P.; Flook, Annabel; Boaler, Patrick J.; Nichol, Gary S.; Holt, Jarle; Smit, Joost; Garden, Jennifer A.; Thomas, Stephen P.","Molecular-level insight into the multiple mechanistic pathways in iron-catalysed alkene dimerisation.","Chemical science","2025","16","47","22394","22406","10.1039/d5sc07490h","","x-ray","1.54184","CuKα","","0.0331","0.028","","","0.0713","0.0749","","","","","","1.0802","","","","has coordinates","304082","2025-12-06","22:14:04",""
"1576174","16.357","0.01","15.629","0.009","18.879","0.011","90","","91.176","0.011","90","","4825","5","233","2","233","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C52 H71 B2 Li O4 -","- C52 H71 B2 Li O4 -","- C208 H284 B8 Li4 O16 -","4","0.5","","Mao, Xiaofeng; Zhang, Jie; Xie, Zuowei","Regioselective C(sp<sup>3</sup>)-H borylation <i>via</i> a diarylboryl anion surrogate in sp<sup>2</sup>-sp<sup>3</sup> diboranes(5).","Chemical science","2025","16","47","22314","22321","10.1039/d5sc07180a","","","0.71073","MoKα","","0.1154","0.096","","","0.2331","0.249","","","","","","1.068","","","","has coordinates,has disorder","304078","2025-12-06","22:10:50",""
"1576175","7.4036","0.0008","17.71","0.002","11.1892","0.0012","90","","104.827","0.003","90","","1418.3","0.3","297","2","297","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C32 H37 B2 Li O -","- C32 H37 B2 Li O -","- C64 H74 B4 Li2 O2 -","2","0.5","","Mao, Xiaofeng; Zhang, Jie; Xie, Zuowei","Regioselective C(sp<sup>3</sup>)-H borylation <i>via</i> a diarylboryl anion surrogate in sp<sup>2</sup>-sp<sup>3</sup> diboranes(5).","Chemical science","2025","16","47","22314","22321","10.1039/d5sc07180a","","","0.71073","MoKα","","0.1153","0.0943","","","0.2557","0.2767","","","","","","1.052","","","","has coordinates","304078","2025-12-06","22:10:50",""
"1576176","11.279","0.0006","14.9402","0.0008","27.9641","0.0015","90","","101.434","0.002","90","","4618.7","0.4","100","0.2","100","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H71 B2 Li O4 Si -","- C48 H71 B2 Li O4 Si -","- C192 H284 B8 Li4 O16 Si4 -","4","1","","Mao, Xiaofeng; Zhang, Jie; Xie, Zuowei","Regioselective C(sp<sup>3</sup>)-H borylation <i>via</i> a diarylboryl anion surrogate in sp<sup>2</sup>-sp<sup>3</sup> diboranes(5).","Chemical science","2025","16","47","22314","22321","10.1039/d5sc07180a","","x-ray","1.34138","GaKα","","0.0478","0.0367","","","0.0967","0.1013","","","","","","1.057","","","","has coordinates","304078","2025-12-06","22:10:50",""
"1576177","12.8532","0.0005","14.2497","0.0005","18.1037","0.0007","92.72","0.001","109.562","0.001","93.879","0.001","3108.5","0.2","100","0.2","100","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H39 B2 K O0.5 -","- C37 H39 B2 K O0.5 -","- C148 H156 B8 K4 O2 -","4","2","","Mao, Xiaofeng; Zhang, Jie; Xie, Zuowei","Regioselective C(sp<sup>3</sup>)-H borylation <i>via</i> a diarylboryl anion surrogate in sp<sup>2</sup>-sp<sup>3</sup> diboranes(5).","Chemical science","2025","16","47","22314","22321","10.1039/d5sc07180a","","x-ray","1.34138","GaKα","","0.0528","0.0434","","","0.1203","0.1247","","","","","","1.054","","","","has coordinates,has disorder","304078","2025-12-06","22:10:50",""
"1576178","8.224","0.004","15.74","0.008","12.282","0.006","90","","102.199","0.016","90","","1554","1.3","296","2","296","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C35 H43 B2 Li O -","- C35 H43 B2 Li O -","- C70 H86 B4 Li2 O2 -","2","0.5","","Mao, Xiaofeng; Zhang, Jie; Xie, Zuowei","Regioselective C(sp<sup>3</sup>)-H borylation <i>via</i> a diarylboryl anion surrogate in sp<sup>2</sup>-sp<sup>3</sup> diboranes(5).","Chemical science","2025","16","47","22314","22321","10.1039/d5sc07180a","","","0.71073","MoKα","","0.1127","0.0849","","","0.2282","0.253","","","","","","1.068","","","","has coordinates","304078","2025-12-06","22:10:50",""
"1576179","23.9471","0.0007","15.2701","0.0005","10.1658","0.0003","90","","90","","90","","3717.4","0.2","297","2","297","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C36 H45 B2 Li O -","- C36 H45 B2 Li O -","- C144 H180 B8 Li4 O4 -","4","0.5","","Mao, Xiaofeng; Zhang, Jie; Xie, Zuowei","Regioselective C(sp<sup>3</sup>)-H borylation <i>via</i> a diarylboryl anion surrogate in sp<sup>2</sup>-sp<sup>3</sup> diboranes(5).","Chemical science","2025","16","47","22314","22321","10.1039/d5sc07180a","","","1.54178","CuKα","","0.0785","0.071","","","0.245","0.2572","","","","","","1.072","","","","has coordinates","304078","2025-12-06","22:10:50",""
"1576180","34.596","0.003","12.0674","0.0011","24.239","0.002","90","","107.79","0.004","90","","9635.5","1.5","114","2","114","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C53 H72 B2 Li N O4 -","- C53 H72 B2 Li N O4 -","- C424 H576 B16 Li8 N8 O32 -","8","2","","Mao, Xiaofeng; Zhang, Jie; Xie, Zuowei","Regioselective C(sp<sup>3</sup>)-H borylation <i>via</i> a diarylboryl anion surrogate in sp<sup>2</sup>-sp<sup>3</sup> diboranes(5).","Chemical science","2025","16","47","22314","22321","10.1039/d5sc07180a","","","1.54178","CuKα","","0.0682","0.0617","","","0.1464","0.1514","","","","","","1.113","","","","has coordinates,has disorder","304078","2025-12-06","22:10:50",""
"1576319","8.5337","0.0001","11.1285","0.0001","28.2876","0.0003","90","","97.031","0.001","90","","2666.19","0.05","100.01","0.1","100.01","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H20 O5 -","- C14 H20 O5 -","- C112 H160 O40 -","8","2","","Budekhin, Roman A.; Fomenkov, Dmitri I.; Ustyuzhanin, Alexander O.; Sliguzova, Darya Yu; Skokova, Ksenia V.; Vil', Vera A.; Alabugin, Igor V.; Terent'ev, Alexander O.","""Trading"" a C[double bond, length as m-dash]C moiety for four C-O bonds and a peroxide: combining ozone and <i>O</i>-nucleophiles for peroxidative ring expansion of cycloalkenes into medium-sized 1,2-dioxacycloalkanes.","Chemical science","2025","16","46","21806","21814","10.1039/d5sc06768e","","x-ray","1.54184","CuKα","","0.0443","0.0418","","","0.11","0.1116","","","","","","1.048","","","","has coordinates","303443","2025-11-26","23:18:28",""
"1576321","38.743","0.013","18.182","0.006","9.838","0.003","90","","90","","90","","6930","4","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C39 H44 F6 P2 -","- C39 H44 F6 P2 -","- C312 H352 F48 P16 -","8","2","","Maity, Manik Lal; Chandra, Sayan; Mahato, Samyadeb; Bandyopadhyay, Subhajit","Installation of cationic phosphorus on dimethyldihydropyrene photoswitches: expanding the atomic repertoire towards far-red photoswitching in water.","Chemical science","2025","16","46","21991","22001","10.1039/d5sc06168g","","x-ray","0.71073","MoKα","","0.1721","0.1356","","","0.2914","0.314","","","","","","1.025","","","","has coordinates,has disorder","303445","2025-11-26","23:19:27",""
"1576322","10.8852","0.0005","12.4834","0.0006","25.1186","0.0012","101.427","0.002","90.026","0.002","115.072","0.002","3016.6","0.3","100","","100","","","","","","","","","4","P -1","-P 1","2","","SB-MLM-DHPP2","","- C37.96 H35 O P -","- C37.96 H35 O P -","- C151.84 H140 O4 P4 -","4","2","","Maity, Manik Lal; Chandra, Sayan; Mahato, Samyadeb; Bandyopadhyay, Subhajit","Installation of cationic phosphorus on dimethyldihydropyrene photoswitches: expanding the atomic repertoire towards far-red photoswitching in water.","Chemical science","2025","16","46","21991","22001","10.1039/d5sc06168g","","","0.71073","MoKα","","0.096","0.0841","","","0.2276","0.2374","","","","","","1.092","","","","has coordinates,has disorder","303445","2025-11-26","23:19:28",""