# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2025-04-24T09:56:13+02:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'Chemical science') AND volume = 13 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
"1565013","7.2165","0.0002","12.5371","0.0004","16.4763","0.0006","90","","90","","90","","1490.68","0.08","123","2","123","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","4-(1-(benzo[b]thiophen-5-yl)ethyl)morpholin-4-ium chloride","","- C15 H20 Cl N O S -","- C15 H20 Cl N O S -","- C60 H80 Cl4 N4 O4 S4 -","4","1","","Kremsmair, Alexander; Wilke, Henrik R.; Simon, Matthias M.; Schmidt, Quirin; Karaghiosoff, Konstantin; Knochel, Paul","General stereoretentive preparation of chiral secondary mixed alkylmagnesium reagents and their use for enantioselective electrophilic aminations.","Chemical science","2021","13","1","44","49","10.1039/d1sc05315a","","","0.71073","MoKα","","0.047","0.0382","","","0.0823","0.0862","","","","","","1.058","","","","has coordinates","272562","2022-02-04","19:05:23",""
"1565226","7.72","0.0002","7.7534","0.0002","9.0532","0.0002","90","","94.725","0.002","90","","540.05","0.02","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","R-CSAI","","- C10 H15 N O2 S -","- C10 H15 N O2 S -","- C20 H30 N2 O4 S2 -","2","1","","Li, Peng-Fei; Ai, Yong; Zeng, Yu-Ling; Liu, Jun-Chao; Xu, Zhe-Kun; Wang, Zhong-Xia","Highest-Tc single-component homochiral organic ferroelectrics","Chemical Science","2022","13","3","657","664","10.1039/D1SC04322F","","","1.54178","CuKα","","0.0597","0.0594","","","0.1443","0.145","","","","","","1.097","","","","has coordinates","272590","2022-02-04","19:14:29",""
"1565227","7.7253","0.0005","7.7557","0.0004","9.0549","0.0005","90","","94.727","0.005","90","","540.68","0.05","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","S-CSAI","","- C10 H15 N O2 S -","- C10 H15 N O2 S -","- C20 H30 N2 O4 S2 -","2","1","","Li, Peng-Fei; Ai, Yong; Zeng, Yu-Ling; Liu, Jun-Chao; Xu, Zhe-Kun; Wang, Zhong-Xia","Highest-Tc single-component homochiral organic ferroelectrics","Chemical Science","2022","13","3","657","664","10.1039/D1SC04322F","","","0.71073","MoKα","","0.0453","0.0355","","","0.092","0.0962","","","","","","1.054","","","","has coordinates","272590","2022-02-04","19:14:29",""
"1565228","7.748","0.0001","7.6312","0.0001","8.9986","0.0001","90","","95.11","0.001","90","","529.941","0.011","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","R-CSAI","","- C10 H15 N O2 S -","- C10 H15 N O2 S -","- C20 H30 N2 O4 S2 -","2","1","","Li, Peng-Fei; Ai, Yong; Zeng, Yu-Ling; Liu, Jun-Chao; Xu, Zhe-Kun; Wang, Zhong-Xia","Highest-Tc single-component homochiral organic ferroelectrics","Chemical Science","2022","13","3","657","664","10.1039/D1SC04322F","","","1.54178","CuKα","","0.0296","0.0295","","","0.0809","0.081","","","","","","1.029","","","","has coordinates","272590","2022-02-04","19:14:29",""
"1565229","7.699","0.0001","7.6119","0.0001","8.9599","0.0001","90","","94.873","0.001","90","","523.188","0.011","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Rac-CSAI","","- C10 H15 N O2 S -","- C10 H15 N O2 S -","- C20 H30 N2 O4 S2 -","2","0.5","","Li, Peng-Fei; Ai, Yong; Zeng, Yu-Ling; Liu, Jun-Chao; Xu, Zhe-Kun; Wang, Zhong-Xia","Highest-Tc single-component homochiral organic ferroelectrics","Chemical Science","2022","13","3","657","664","10.1039/D1SC04322F","","","1.54178","CuKα","","0.035","0.0348","","","0.087","0.0871","","","","","","1.116","","","","has coordinates","272590","2022-02-04","19:14:29",""
"1565230","7.7527","0.0003","7.6368","0.0003","8.9989","0.0004","90","","95.097","0.004","90","","530.68","0.04","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","S-CSAI","","- C10 H15 N O2 S -","- C10 H15 N O2 S -","- C20 H30 N2 O4 S2 -","2","1","","Li, Peng-Fei; Ai, Yong; Zeng, Yu-Ling; Liu, Jun-Chao; Xu, Zhe-Kun; Wang, Zhong-Xia","Highest-Tc single-component homochiral organic ferroelectrics","Chemical Science","2022","13","3","657","664","10.1039/D1SC04322F","","","0.71073","MoKα","","0.0287","0.0268","","","0.0725","0.0734","","","","","","1.059","","","","has coordinates","272590","2022-02-04","19:14:29",""
"1565368","7.3043","0.0003","9.0923","0.0003","12.6109","0.0005","80.349","0.003","86.679","0.003","72.338","0.003","786.73","0.05","100","0.5","100","0.5","","","","","","","","5","P -1","-P 1","2","","","","- C15 H9.97 Cl4.03 N2 S -","- C15 H9.965 Cl4.035 N2 S -","- C30 H19.93 Cl8.07 N4 S2 -","2","1","","Borys, Andryj M.; Clark, Ewan R.; Saines, Paul J.; Alberola, Antonio; Rawson, Jeremy M.","A short, versatile route towards benzothiadiazinyl radicals.","Chemical science","2021","13","1","149","158","10.1039/d1sc04248c","","x-ray","1.54184","CuKα","","0.0368","0.036","","","0.0943","0.095","","","","","","1.028","","","","has coordinates,has disorder","272564","2022-02-04","19:08:14",""
"1565369","7.10603","0.00016","7.22142","0.00017","15.6955","0.0004","83.2406","0.0019","78.4301","0.0019","71.106","0.002","745.33","0.03","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C14 H8 Cl4 N2 O S -","- C14 H8 Cl4 N2 O S -","- C28 H16 Cl8 N4 O2 S2 -","2","1","","Borys, Andryj M.; Clark, Ewan R.; Saines, Paul J.; Alberola, Antonio; Rawson, Jeremy M.","A short, versatile route towards benzothiadiazinyl radicals.","Chemical science","2021","13","1","149","158","10.1039/d1sc04248c","","x-ray","1.54184","CuKα","","0.0277","0.0269","","","0.0769","0.0778","","","","","","1.055","","","","has coordinates,has disorder","288248","2023-12-12","12:55:27",""
"1565370","9.1703","0.0004","13.7683","0.0007","12.5807","0.0006","90","","96.799","0.003","90","","1577.26","0.13","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H10 Cl4 N2 S -","- C15 H10 Cl4 N2 S -","- C60 H40 Cl16 N8 S4 -","4","1","","Borys, Andryj M.; Clark, Ewan R.; Saines, Paul J.; Alberola, Antonio; Rawson, Jeremy M.","A short, versatile route towards benzothiadiazinyl radicals.","Chemical science","2021","13","1","149","158","10.1039/d1sc04248c","","","0.71073","MoKα","","0.102","0.0738","","","0.2026","0.2238","","","","","","1.036","","","","has coordinates","272564","2022-02-04","19:08:14",""
"1565371","14.4699","0.0008","13.6411","0.0007","16.045","0.001","90","","115.564","0.002","90","","2857","0.3","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H6 Cl4 N2 S -","- C13 H6 Cl4 N2 S -","- C104 H48 Cl32 N16 S8 -","8","2","","Borys, Andryj M.; Clark, Ewan R.; Saines, Paul J.; Alberola, Antonio; Rawson, Jeremy M.","A short, versatile route towards benzothiadiazinyl radicals.","Chemical science","2021","13","1","149","158","10.1039/d1sc04248c","","","0.71073","MoKα","","0.0866","0.0484","","","0.0982","0.1119","","","","","","1.029","","","","has coordinates","272564","2022-02-04","19:08:14",""
"1565372","11.5111","0.0015","7.7055","0.0008","16.9368","0.0018","90","","104.127","0.012","90","","1456.8","0.3","149.99","0.1","149.99","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H10 Cl3 N2 S -","- C15 H10 Cl3 N2 S -","- C60 H40 Cl12 N8 S4 -","4","1","","Borys, Andryj M.; Clark, Ewan R.; Saines, Paul J.; Alberola, Antonio; Rawson, Jeremy M.","A short, versatile route towards benzothiadiazinyl radicals.","Chemical science","2021","13","1","149","158","10.1039/d1sc04248c","","x-ray","1.54184","CuKα","","0.0454","0.0388","","","0.1031","0.1076","","","","","","1.053","","","","has coordinates","272564","2022-02-04","19:08:14",""
"1565373","8.9856","0.0005","9.2182","0.0003","9.374","0.0006","103.868","0.004","94.53","0.005","95.061","0.004","746.85","0.07","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C14 H8 Cl4 N2 S -","- C14 H8 Cl4 N2 S -","- C28 H16 Cl8 N4 S2 -","2","1","","Borys, Andryj M.; Clark, Ewan R.; Saines, Paul J.; Alberola, Antonio; Rawson, Jeremy M.","A short, versatile route towards benzothiadiazinyl radicals.","Chemical science","2021","13","1","149","158","10.1039/d1sc04248c","","x-ray","1.54184","CuKα","","0.0275","0.0267","","","0.0724","0.073","","","","","","1.066","","","","has coordinates","288248","2023-12-12","12:55:27",""
"1565374","7.4264","0.0007","11.9574","0.0011","11.966","0.0009","115.075","0.009","91.228","0.008","95.201","0.008","956.37","0.16","99.9","0.6","99.9","0.6","","","","","","","","6","P -1","-P 1","2","","","","- C16 H12 Cl4 N2 O S -","- C16 H12 Cl4 N2 O S -","- C32 H24 Cl8 N4 O2 S2 -","2","1","","Borys, Andryj M.; Clark, Ewan R.; Saines, Paul J.; Alberola, Antonio; Rawson, Jeremy M.","A short, versatile route towards benzothiadiazinyl radicals.","Chemical science","2021","13","1","149","158","10.1039/d1sc04248c","","x-ray","1.54184","CuKα","","0.0611","0.0546","","","0.1486","0.1565","","","","","","1.056","","","","has coordinates","272564","2022-02-04","19:08:14",""
"1565375","7.8074","0.0003","15.8724","0.0004","13.5003","0.0004","90","","105.795","0.003","90","","1609.82","0.09","100","0.6","100","0.6","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H9.88 Cl4.12 N2 S -","- C15 H9.877 Cl4.123 N2 S -","- C60 H39.508 Cl16.492 N8 S4 -","4","1","","Borys, Andryj M.; Clark, Ewan R.; Saines, Paul J.; Alberola, Antonio; Rawson, Jeremy M.","A short, versatile route towards benzothiadiazinyl radicals.","Chemical science","2021","13","1","149","158","10.1039/d1sc04248c","","x-ray","1.54184","CuKα","","0.0748","0.0744","","","0.1732","0.1733","","","","","","1.318","","","","has coordinates,has disorder","272564","2022-02-04","19:08:14",""
"1565376","7.3899","0.0001","10.5325","0.0002","20.5855","0.0004","90","","96.598","0.002","90","","1591.64","0.05","100","0.5","100","0.5","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 Cl4 N2 S -","- C15 H10 Cl4 N2 S -","- C60 H40 Cl16 N8 S4 -","4","1","","Borys, Andryj M.; Clark, Ewan R.; Saines, Paul J.; Alberola, Antonio; Rawson, Jeremy M.","A short, versatile route towards benzothiadiazinyl radicals.","Chemical science","2021","13","1","149","158","10.1039/d1sc04248c","","x-ray","1.54184","CuKα","","0.0475","0.0456","","","0.1183","0.1198","","","","","","1.057","","","","has coordinates","272564","2022-02-04","19:08:14",""
"1565377","9.9369","0.0004","12.2664","0.0004","13.3652","0.0005","91.036","0.003","107.068","0.004","109.355","0.003","1457.25","0.11","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C15 H10 Cl3 N2 S -","- C15 H10 Cl3 N2 S -","- C60 H40 Cl12 N8 S4 -","4","2","","Borys, Andryj M.; Clark, Ewan R.; Saines, Paul J.; Alberola, Antonio; Rawson, Jeremy M.","A short, versatile route towards benzothiadiazinyl radicals.","Chemical science","2021","13","1","149","158","10.1039/d1sc04248c","","x-ray","1.54184","CuKα","","0.0708","0.0679","","","0.1871","0.1907","","","","","","1.08","","","","has coordinates","275434","2022-05-16","05:31:59",""
"1565378","6.5698","0.0007","16.562","0.002","16.941","0.003","90","","93.51","0.012","90","","1839.9","0.4","100","0.13","100","0.13","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H10.42 Cl5.58 N2 O S -","- C16 H10.417 Cl5.583 N2 O S -","- C64 H41.668 Cl22.332 N8 O4 S4 -","4","1","","Borys, Andryj M.; Clark, Ewan R.; Saines, Paul J.; Alberola, Antonio; Rawson, Jeremy M.","A short, versatile route towards benzothiadiazinyl radicals.","Chemical science","2021","13","1","149","158","10.1039/d1sc04248c","","x-ray","1.54184","CuKα","","0.1319","0.1055","","","0.2644","0.2818","","","","","","1.145","","","","has coordinates,has disorder","272564","2022-02-04","19:08:14",""
"1565379","9.5753","0.0004","9.8718","0.0004","20.099","0.0007","90","","94.444","0.003","90","","1894.16","0.13","100","0.4","100","0.4","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H6 Cl7 Ga N2 S -","- C13 H6 Cl7 Ga N2 S -","- C52 H24 Cl28 Ga4 N8 S4 -","4","1","","Borys, Andryj M.; Clark, Ewan R.; Saines, Paul J.; Alberola, Antonio; Rawson, Jeremy M.","A short, versatile route towards benzothiadiazinyl radicals.","Chemical science","2021","13","1","149","158","10.1039/d1sc04248c","","x-ray","1.54184","CuKα","","0.0617","0.0617","","","0.1632","0.1632","","","","","","1.135","","","","has coordinates","272564","2022-02-04","19:08:14",""
"1565380","7.0073","0.0005","9.6628","0.0006","12.0172","0.0007","95.257","0.005","106.738","0.006","101.231","0.006","754.78","0.09","100","0.5","100","0.5","","","","","","","","6","P -1","-P 1","2","","","","- C14 H8 Cl4 N2 O S -","- C14 H8 Cl4 N2 O S -","- C28 H16 Cl8 N4 O2 S2 -","2","1","","Borys, Andryj M.; Clark, Ewan R.; Saines, Paul J.; Alberola, Antonio; Rawson, Jeremy M.","A short, versatile route towards benzothiadiazinyl radicals.","Chemical science","2021","13","1","149","158","10.1039/d1sc04248c","","x-ray","1.54184","CuKα","","0.0408","0.0387","","","0.1048","0.1073","","","","","","1.028","","","","has coordinates","272564","2022-02-04","19:08:15",""
"1565381","8.1354","0.0002","9.2414","0.0002","12.9459","0.0006","90.608","0.003","101.838","0.003","105.699","0.002","914.81","0.05","100","0.5","100","0.5","","","","","","","","5","P -1","-P 1","2","","","","- C14 H11 Cl6 N3 S -","- C14 H11 Cl6 N3 S -","- C28 H22 Cl12 N6 S2 -","2","1","","Borys, Andryj M.; Clark, Ewan R.; Saines, Paul J.; Alberola, Antonio; Rawson, Jeremy M.","A short, versatile route towards benzothiadiazinyl radicals.","Chemical science","2021","13","1","149","158","10.1039/d1sc04248c","","x-ray","1.54184","CuKα","","0.1028","0.1019","","","0.2915","0.2917","","","","","","1.209","","","","has coordinates","272564","2022-02-04","19:08:15",""
"1565382","7.4291","0.0004","18.6148","0.0009","9.0438","0.0005","90","","107.796","0.006","90","","1190.83","0.12","99.98","0.1","99.98","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H5.84 Cl2.16 N3 S -","- C12 H5.835 Cl2.165 N3 S -","- C48 H23.34 Cl8.66 N12 S4 -","4","1","","Borys, Andryj M.; Clark, Ewan R.; Saines, Paul J.; Alberola, Antonio; Rawson, Jeremy M.","A short, versatile route towards benzothiadiazinyl radicals.","Chemical science","2021","13","1","149","158","10.1039/d1sc04248c","","x-ray","1.54184","CuKα","","0.0468","0.0467","","","0.1182","0.1183","","","","","","1.095","","","","has coordinates,has disorder","272564","2022-02-04","19:08:15",""
"1565383","16.7712","0.0003","13.1359","0.0002","13.0495","0.0002","90","","90","","90","","2874.87","0.08","100","0.7","100","0.7","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C13.5 H7 Cl4 N2 S -","- C13.5 H7 Cl4 N2 S -","- C108 H56 Cl32 N16 S8 -","8","1","","Borys, Andryj M.; Clark, Ewan R.; Saines, Paul J.; Alberola, Antonio; Rawson, Jeremy M.","A short, versatile route towards benzothiadiazinyl radicals.","Chemical science","2021","13","1","149","158","10.1039/d1sc04248c","","x-ray","1.54184","CuKα","","0.0638","0.0615","","","0.1453","0.1454","","","","","","1.237","","","","has coordinates","272564","2022-02-04","19:08:15",""
"1565384","9.0246","0.0003","13.7857","0.0005","12.0756","0.0004","90","","98.513","0.003","90","","1485.78","0.09","100","0.6","100","0.6","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H8 Cl4 N2 S -","- C14 H8 Cl4 N2 S -","- C56 H32 Cl16 N8 S4 -","4","2","","Borys, Andryj M.; Clark, Ewan R.; Saines, Paul J.; Alberola, Antonio; Rawson, Jeremy M.","A short, versatile route towards benzothiadiazinyl radicals.","Chemical science","2021","13","1","149","158","10.1039/d1sc04248c","","x-ray","1.54184","CuKα","","0.0769","0.0766","","","0.2049","0.2058","","","","","","1.093","","","","has coordinates","275856","2022-06-07","07:08:28",""
"1565385","14.2979","0.0004","14.0607","0.0003","16.3174","0.0004","90","","90","","90","","3280.43","0.14","100","0.1","100","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H12 Cl4 N2 S -","- C16 H12 Cl4 N2 S -","- C128 H96 Cl32 N16 S8 -","8","1","","Borys, Andryj M.; Clark, Ewan R.; Saines, Paul J.; Alberola, Antonio; Rawson, Jeremy M.","A short, versatile route towards benzothiadiazinyl radicals.","Chemical science","2021","13","1","149","158","10.1039/d1sc04248c","","x-ray","1.54184","CuKα","","0.04","0.0399","","","0.0977","0.0977","","","","","","1.108","","","","has coordinates","288248","2023-12-12","12:55:27",""
"1565407","23.603","0.002","6.0263","0.0007","10.4104","0.0012","90","","90","","90","","1480.8","0.3","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","","N,N-dimethyl-1-(naphthalen-2-yl)-1-phenylethan-1-amine","","- C20 H21 N -","- C20 H21 N -","- C80 H84 N4 -","4","1","","Chen, Jiahua; Lim, Jun Wei; Ong, Derek Yiren; Chiba, Shunsuke","Iterative addition of carbon nucleophiles to <i>N</i>,<i>N</i>-dialkyl carboxamides for synthesis of α-tertiary amines.","Chemical science","2021","13","1","99","104","10.1039/d1sc05876b","","","1.54178","CuKα","","0.0465","0.0453","","","0.1222","0.1237","","","","","","1.043","","","","has coordinates","272566","2022-02-04","19:08:39",""
"1565565","9.4035","0.0001","10.6249","0.0001","9.5173","0.0001","90","","95.379","0.001","90","","946.698","0.017","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H17 F3 N2 O -","- C22 H17 F3 N2 O -","- C44 H34 F6 N4 O2 -","2","1","","Zhu, Wen-Run; Su, Qiong; Deng, Xiao-Yi; Liu, Jia-Sheng; Zhong, Tao; Meng, Shan-Shui; Yi, Ji-Tao; Weng, Jiang; Lu, Gui","Organocatalytic enantioselective S<sub>N</sub>1-type dehydrative nucleophilic substitution: access to bis(indolyl)methanes bearing quaternary carbon stereocenters.","Chemical science","2021","13","1","170","177","10.1039/d1sc05174a","","x-ray","1.54184","CuKα","","0.0307","0.0302","","","0.0767","0.0771","","","","","","1.072","","","","has coordinates","276603","2022-07-06","07:59:32",""
"1565566","10.1505","0.0002","19.0261","0.0009","11.5778","0.0004","90","","90","","90","","2235.96","0.14","300.28","0.15","300.28","0.15","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H18 Br F3 N2 -","- C27 H18 Br F3 N2 -","- C108 H72 Br4 F12 N8 -","4","1","","Zhu, Wen-Run; Su, Qiong; Deng, Xiao-Yi; Liu, Jia-Sheng; Zhong, Tao; Meng, Shan-Shui; Yi, Ji-Tao; Weng, Jiang; Lu, Gui","Organocatalytic enantioselective S<sub>N</sub>1-type dehydrative nucleophilic substitution: access to bis(indolyl)methanes bearing quaternary carbon stereocenters.","Chemical science","2021","13","1","170","177","10.1039/d1sc05174a","","x-ray","1.54184","CuKα","","0.0832","0.0748","","","0.2167","0.2233","","","","","","1.111","","","","has coordinates","276603","2022-07-06","07:59:35",""
"1565567","10.311","0.0002","12.3464","0.0002","34.9989","0.0007","90","","90","","90","","4455.49","0.14","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H22 F4 N2 O -","- C25 H22 F4 N2 O -","- C200 H176 F32 N16 O8 -","8","2","","Zhu, Wen-Run; Su, Qiong; Deng, Xiao-Yi; Liu, Jia-Sheng; Zhong, Tao; Meng, Shan-Shui; Yi, Ji-Tao; Weng, Jiang; Lu, Gui","Organocatalytic enantioselective S<sub>N</sub>1-type dehydrative nucleophilic substitution: access to bis(indolyl)methanes bearing quaternary carbon stereocenters.","Chemical science","2021","13","1","170","177","10.1039/d1sc05174a","","x-ray","1.54184","CuKα","","0.0718","0.0517","","","0.12","0.1343","","","","","","1.051","","","","has coordinates","276603","2022-07-06","07:59:46",""
"1565568","11.6074","0.0009","8.5215","0.0007","15.0981","0.0012","90","","90","","90","","1493.4","0.2","293","2","293","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- F4 I3 K3 O12 V2 -","- F4 I3 K3 O12 V2 -","- F16 I12 K12 O48 V8 -","4","0.5","","Chen, Jin; Hu, Chun-Li; Lin, Yi-Lin; Chen, Yan; Chen, Qian-Qian; Mao, Jiang-Gao","K3V2O3F4(IO3)3: a high-performance SHG crystal containing both five and six-coordinated V5+ cations","Chemical Science","2022","13","2","454","460","10.1039/D1SC06026K","","","0.71073","MoKα","","0.0286","0.0272","","","0.0655","0.0664","","","","","","1.022","","","","has coordinates","272584","2022-02-04","19:13:32",""
"1565569","10.2936","0.0004","11.0038","0.0005","13.3415","0.0005","98.452","0.002","102.852","0.002","96.092","0.002","1442.14","0.1","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","[Carbonyl-chlorido-η2-C,C?-ethinylethylether-hydridotris(3,4,5-trimethylpyrazolyl)borato-tungsten(II)]","","- C24 H36 B Cl3 N6 O2 W -","- C24 H36 B Cl3 N6 O2 W -","- C48 H72 B2 Cl6 N12 O4 W2 -","2","1","","Timmermann, Christopher; Thiem, Paula; Wanitschke, Dominik; Hüttenschmidt, Mareike; Romischke, Johanna; Villinger, Alexander; Seidel, Wolfram W.","Migratory insertion of isocyanide into a ketenyl-tungsten bond as key step in cyclization reactions.","Chemical science","2021","13","1","123","132","10.1039/d1sc06149f","","","0.71073","MoKα","","0.0644","0.0462","","","0.0916","0.0987","","","","","","1.09","","","","has coordinates","272569","2022-02-04","19:10:04",""
"1565570","9.9415","0.0005","11.0539","0.0006","17.5643","0.0009","98.146","0.002","97.68","0.002","105.73","0.002","1808.92","0.16","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","[Di(carbonyl)-κ2-C,O-{3-(2,6-dimethylphenylamino)propan-3-ylidene-1-oate}-hydridotris(3,4,5-trimethylpyrazolyl)borato-tungsten(II)]","","- C32.5 H43 B Cl3 N7 O4 W -","- C31 H40 B N7 O4 W -","- C62 H80 B2 N14 O8 W2 -","2","1","","Timmermann, Christopher; Thiem, Paula; Wanitschke, Dominik; Hüttenschmidt, Mareike; Romischke, Johanna; Villinger, Alexander; Seidel, Wolfram W.","Migratory insertion of isocyanide into a ketenyl-tungsten bond as key step in cyclization reactions.","Chemical science","2021","13","1","123","132","10.1039/d1sc06149f","","","0.71073","MoKα","","0.0463","0.0339","","","0.0641","0.0666","","","","","","1.05","","","","has coordinates","272569","2022-02-04","19:10:04",""
"1565571","10.2497","0.0009","11.3925","0.0009","16.0476","0.0013","105.219","0.003","96.074","0.003","93.672","0.003","1789.8","0.3","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","[Di(carbonyl)-κ2-C,O-{(E)-3-(2,6-dimethyphenylamino)-1-methoxyprop-1-en-3-ylidene-1-olate}-hydridotris(3,4,5-trimethylpyrazolyl)borato-tungsten(II)]","","- C32.84 H43.68 B Cl1.68 N7 O4 W -","- C32.841 H43.682 B Cl1.682 N7 O4 W -","- C65.682 H87.364 B2 Cl3.364 N14 O8 W2 -","2","1","","Timmermann, Christopher; Thiem, Paula; Wanitschke, Dominik; Hüttenschmidt, Mareike; Romischke, Johanna; Villinger, Alexander; Seidel, Wolfram W.","Migratory insertion of isocyanide into a ketenyl-tungsten bond as key step in cyclization reactions.","Chemical science","2021","13","1","123","132","10.1039/d1sc06149f","","","0.71073","MoKα","","0.0657","0.0429","","","0.0763","0.0837","","","","","","1.027","","","","has coordinates,has disorder","272569","2022-02-04","19:10:04",""
"1565572","9.8806","0.0004","22.4324","0.0008","17.6641","0.0007","90","","105.658","0.002","90","","3769.9","0.3","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[Di(carbonyl)-κ2-C,O-{(E)-3-(2,6-dimethyphenylamino)-1-ethoxyprop-1-en-3-ylidene-1-olate}-hydridotris(3,4,5-trimethylpyrazolyl)borato-tungsten(II)]","","- C33.62 H45.25 B Cl1.25 N7 O4 W -","- C33 H44 B N7 O4 W -","- C132 H176 B4 N28 O16 W4 -","4","1","","Timmermann, Christopher; Thiem, Paula; Wanitschke, Dominik; Hüttenschmidt, Mareike; Romischke, Johanna; Villinger, Alexander; Seidel, Wolfram W.","Migratory insertion of isocyanide into a ketenyl-tungsten bond as key step in cyclization reactions.","Chemical science","2021","13","1","123","132","10.1039/d1sc06149f","","","0.71073","MoKα","","0.0439","0.0365","","","0.0722","0.074","","","","","","1.242","","","","has coordinates","272569","2022-02-04","19:10:04",""
"1565573","9.7834","0.0006","11.173","0.0007","11.3156","0.0007","64.197","0.003","72.129","0.003","88.96","0.003","1050.19","0.12","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","[Di(carbonyl)-hydridotris(3,5-dimethylpyrazolyl)borato-η1-ketenyl-tungsten(II)]","","- C19 H23 B N6 O3 W -","- C19 H23 B N6 O3 W -","- C38 H46 B2 N12 O6 W2 -","2","1","","Timmermann, Christopher; Thiem, Paula; Wanitschke, Dominik; Hüttenschmidt, Mareike; Romischke, Johanna; Villinger, Alexander; Seidel, Wolfram W.","Migratory insertion of isocyanide into a ketenyl-tungsten bond as key step in cyclization reactions.","Chemical science","2021","13","1","123","132","10.1039/d1sc06149f","","","0.71073","MoKα","","0.0247","0.0224","","","0.0551","0.0564","","","","","","1.074","","","","has coordinates","272569","2022-02-04","19:10:04",""
"1565574","10.3289","0.0005","11.4973","0.0005","13.0257","0.0006","98.414","0.001","113.051","0.001","92.169","0.001","1400.32","0.11","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","[Di(carbonyl)-η2-C,C?-ethinylmethylether-hydridotris(3,4,5-trimethylpyrazolyl)borato-tungsten(II)]-tetrafluoroborate","","- C23 H32 B2 F4 N6 O3 W -","- C23 H32 B2 F4 N6 O3 W -","- C46 H64 B4 F8 N12 O6 W2 -","2","1","","Timmermann, Christopher; Thiem, Paula; Wanitschke, Dominik; Hüttenschmidt, Mareike; Romischke, Johanna; Villinger, Alexander; Seidel, Wolfram W.","Migratory insertion of isocyanide into a ketenyl-tungsten bond as key step in cyclization reactions.","Chemical science","2021","13","1","123","132","10.1039/d1sc06149f","","","0.71073","MoKα","","0.0265","0.0224","","","0.0534","0.056","","","","","","1.112","","","","has coordinates,has disorder","272569","2022-02-04","19:10:04",""
"1565575","11.4957","0.0014","22.605","0.003","14.7243","0.0017","90","","99.238","0.002","90","","3776.6","0.8","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[Di(carbonyl)-κ2-C,O-{(E)-3-(2,6-dimethyphenylamino)-1-diethyamino-prop-1-en-3-ylidene-1-olate}-hydridotris(3,4,5-trimethylpyrazolyl)borato-tungsten(II)]","","- C37 H53 B N8 O3 W -","- C37 H53 B N8 O3 W -","- C148 H212 B4 N32 O12 W4 -","4","1","","Timmermann, Christopher; Thiem, Paula; Wanitschke, Dominik; Hüttenschmidt, Mareike; Romischke, Johanna; Villinger, Alexander; Seidel, Wolfram W.","Migratory insertion of isocyanide into a ketenyl-tungsten bond as key step in cyclization reactions.","Chemical science","2021","13","1","123","132","10.1039/d1sc06149f","","","0.71073","MoKα","","0.0355","0.0241","","","0.053","0.057","","","","","","1.047","","","","has coordinates","272569","2022-02-04","19:10:04",""
"1565576","15.3547","0.001","15.392","0.001","17.9913","0.0012","82.881","0.002","89.831","0.002","62.331","0.002","3729.6","0.4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","Bis[di(carbonyl)-κ2-C,O-{3-(2,6-dimethylphenylamino)propan-3-ylidene-1-oate}-hydridotris(3,4,5-trimethylpyrazolyl)borato-tungsten(II)]anhydride","","- C65 H84 B2 Cl6 N14 O7 W2 -","- C62 H78 B2 N14 O7 W2 -","- C124 H156 B4 N28 O14 W4 -","2","1","","Timmermann, Christopher; Thiem, Paula; Wanitschke, Dominik; Hüttenschmidt, Mareike; Romischke, Johanna; Villinger, Alexander; Seidel, Wolfram W.","Migratory insertion of isocyanide into a ketenyl-tungsten bond as key step in cyclization reactions.","Chemical science","2021","13","1","123","132","10.1039/d1sc06149f","","","0.71073","MoKα","","0.0787","0.0427","","","0.0801","0.0868","","","","","","1.07","","","","has coordinates","272569","2022-02-04","19:10:04",""
"1565577","9.6587","0.0001","11.5335","0.0001","12.4216","0.0001","114.357","0.001","102.222","0.001","94.593","0.001","1210.05","0.02","294.15","","294.15","","","","","","","","","4","P -1","-P 1","2","","","","- C30 H21 N3 O3 -","- C30 H21 N3 O3 -","- C60 H42 N6 O6 -","2","1","","Lin, Wei; Zhao, Qun; Li, Yao; Pan, Ming; Yang, Chen; Yang, Guo-Hui; Li, Xin","Asymmetric synthesis of N-N axially chiral compounds <i>via</i> organocatalytic atroposelective <i>N</i>-acylation.","Chemical science","2021","13","1","141","148","10.1039/d1sc05360d","","x-ray","1.54184","CuKα","","0.0472","0.0452","","","0.1222","0.124","","","","","","1.058","","","","has coordinates","272567","2022-02-04","19:08:49",""
"1565578","8.7349","0.0003","18.3308","0.0005","14.1743","0.0005","90","","94.763","0.003","90","","2261.72","0.13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H20 N3 O P -","- C27 H20 N3 O P -","- C108 H80 N12 O4 P4 -","4","1","","Duan, Chunbo; Xin, Ying; Wang, Zicheng; Zhang, Jing; Han, Chunmiao; Xu, Hui","High-efficiency hyperfluorescent white light-emitting diodes based on high-concentration-doped TADF sensitizer matrices <i>via</i> spatial and energy gap effects.","Chemical science","2021","13","1","159","169","10.1039/d1sc05753g","","","0.71073","MoKα","","0.073","0.0522","","","0.1553","0.1737","","","","","","1.099","","","","has coordinates","276143","2022-06-22","06:24:16",""
"1565579","18.7793","0.0007","8.0735","0.0002","26.4549","0.0011","90","","122.492","0.003","90","","3383.1","0.2","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H28 Cl2 N5 O P -","- C40 H28 Cl2 N5 O P -","- C160 H112 Cl8 N20 O4 P4 -","4","1","","Duan, Chunbo; Xin, Ying; Wang, Zicheng; Zhang, Jing; Han, Chunmiao; Xu, Hui","High-efficiency hyperfluorescent white light-emitting diodes based on high-concentration-doped TADF sensitizer matrices <i>via</i> spatial and energy gap effects.","Chemical science","2021","13","1","159","169","10.1039/d1sc05753g","","","0.71073","MoKα","","0.0773","0.05","","","0.1144","0.1299","","","","","","1.015","","","","has coordinates","277994","2022-09-20","08:32:41",""
"1565580","8.265","0.005","23.677","0.005","26.571","0.005","90","0.005","90","0.005","90","0.005","5200","3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C33 H23 N4 O P -","- C33 H23 N4 O P -","- C264 H184 N32 O8 P8 -","8","1","","Duan, Chunbo; Xin, Ying; Wang, Zicheng; Zhang, Jing; Han, Chunmiao; Xu, Hui","High-efficiency hyperfluorescent white light-emitting diodes based on high-concentration-doped TADF sensitizer matrices <i>via</i> spatial and energy gap effects.","Chemical science","2021","13","1","159","169","10.1039/d1sc05753g","","","0.71069","MoKα","","0.1622","0.0721","","","0.1657","0.2307","","","","","","1.024","","","","has coordinates","272563","2022-02-04","19:05:34",""
"1565590","11.04668","0.00008","5.51936","0.00005","14.34857","0.0001","90","","101.385","0.0007","90","","857.627","0.012","100","0.1","100","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C18 H15 Br Cl F2 N O2 -","- C18 H15 Br Cl F2 N O2 -","- C36 H30 Br2 Cl2 F4 N2 O4 -","2","1","","Xu, Xiao; Bao, Longzhu; Ran, Lu; Yang, Zhenyan; Yan, Dingce; Wang, Chun-Jiang; Teng, Huailong","Synthesis of bioactive fluoropyrrolidines via copper(i)-catalysed asymmetric 1,3-dipolar cycloaddition of azomethine ylides","Chemical Science","2022","13","5","1398","1407","10.1039/D1SC04595D","","x-ray","1.54184","CuKα","","0.0176","0.0176","","","0.0465","0.0466","","","","","","1.047","","","","has coordinates","272574","2022-02-04","19:11:21",""
"1565601","11.3563","0.0005","16.7472","0.0006","12.6545","0.0006","90","","101.483","0.004","90","","2358.54","0.18","100","0.11","100","0.11","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H29 N3 O4 -","- C27 H29 N3 O4 -","- C108 H116 N12 O16 -","4","1","","Kuhn, Ariel J.; Ehlke, Beatriz; Johnstone, Timothy C.; Oliver, Scott R. J.; Raskatov, Jevgenij A.","A crystal-structural study of Pauling–Corey rippled sheets","Chemical Science","2022","13","3","671","680","10.1039/D1SC05731F","","x-ray","1.54184","CuKα","","0.0554","0.0443","","","0.1122","0.1181","","","","","","1.036","","","","has coordinates","272588","2022-02-04","19:14:09",""
"1565602","14.2639","0.0006","14.5005","0.0004","20.4969","0.0007","105.307","0.003","109.588","0.004","90.479","0.003","3830.5","0.3","123","","123","","","","","","","","","5","P -1","-P 1","2","","5,5''''-bis((triisopropylsilyl)ethynyl)-2,2':5',2'':5'',2''':5''',2''''-quinquethiophene","","- C40 H52 O2 S2 Si2 -","- C40 H52 O2 S2 Si2 -","- C160 H208 O8 S8 Si8 -","4","2","","Gao, Yunpeng; Feng, Chi; Seo, Tamae; Kubota, Koji; Ito, Hajime","Efficient access to materials-oriented aromatic alkynes via the mechanochemical Sonogashira coupling of solid aryl halides with large polycyclic conjugated systems","Chemical Science","2022","13","2","430","438","10.1039/D1SC05257H","","x-ray","1.54184","CuKα","","0.0468","0.0408","","","0.109","0.1148","","","","","","1.048","","","","has coordinates","272586","2022-02-04","19:13:54",""
"1565603","39.5034","0.0004","9.2352","0.0001","23.1512","0.0003","90","","96.916","0.001","90","","8384.61","0.17","123","","123","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","5,5''''-bis((triisopropylsilyl)ethynyl)-2,2':5',2'':5'',2''':5''',2''''-quinquethiophene","","- C42 H52 S5 Si2 -","- C42 H52 S5 Si2 -","- C336 H416 S40 Si16 -","8","1","","Gao, Yunpeng; Feng, Chi; Seo, Tamae; Kubota, Koji; Ito, Hajime","Efficient access to materials-oriented aromatic alkynes via the mechanochemical Sonogashira coupling of solid aryl halides with large polycyclic conjugated systems","Chemical Science","2022","13","2","430","438","10.1039/D1SC05257H","","x-ray","1.54184","CuKα","","0.0372","0.0343","","","0.0965","0.0988","","","","","","1.075","","","","has coordinates","272586","2022-02-04","19:13:54",""
"1565604","8.8605","0.0001","21.1565","0.0004","7.8415","0.0001","90","","93.025","0.001","90","","1467.9","0.04","173","2","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 Br N O2 -","- C18 H14 Br N O2 -","- C72 H56 Br4 N4 O8 -","4","1","","Yuan, Da-Fu; Wang, Zi-Chen; Geng, Rui-Sen; Ren, Guang-Yi; Wright, James S.; Ni, Shao-Fei; Li, Ming; Wen, Li-Rong; Zhang, Lin-Bao","Hypervalent iodine promoted the synthesis of cycloheptatrienes and cyclopropanes","Chemical Science","2022","13","2","478","485","10.1039/D1SC05429E","","","1.54184","CuKα","","0.0413","0.0379","","","0.1027","0.1054","","","","","","1.059","","","","has coordinates","272585","2022-02-04","19:13:43",""
"1565605","7.9559","0.0001","6.808","0.0001","30.863","0.0002","90","","91.251","0.001","90","","1671.26","0.03","170","0.1","170","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 Br N O2 -","- C20 H16 Br N O2 -","- C80 H64 Br4 N4 O8 -","4","1","","Yuan, Da-Fu; Wang, Zi-Chen; Geng, Rui-Sen; Ren, Guang-Yi; Wright, James S.; Ni, Shao-Fei; Li, Ming; Wen, Li-Rong; Zhang, Lin-Bao","Hypervalent iodine promoted the synthesis of cycloheptatrienes and cyclopropanes","Chemical Science","2022","13","2","478","485","10.1039/D1SC05429E","","x-ray","1.54184","CuKα","","0.0277","0.0273","","","0.0646","0.0655","","","","","","1.125","","","","has coordinates","272585","2022-02-04","19:13:44",""
"1565606","9.4212","0.0001","10.7629","0.0001","18.7421","0.0002","94.939","0.001","96.779","0.001","110.576","0.001","1750.05","0.03","169.99","0.13","169.99","0.13","","","","","","","","5","P -1","-P 1","2","","","","- C19 H16 F3 N O2 -","- C19 H16 F3 N O2 -","- C76 H64 F12 N4 O8 -","4","2","","Yuan, Da-Fu; Wang, Zi-Chen; Geng, Rui-Sen; Ren, Guang-Yi; Wright, James S.; Ni, Shao-Fei; Li, Ming; Wen, Li-Rong; Zhang, Lin-Bao","Hypervalent iodine promoted the synthesis of cycloheptatrienes and cyclopropanes","Chemical Science","2022","13","2","478","485","10.1039/D1SC05429E","","x-ray","1.54184","CuKα","","0.0446","0.0428","","","0.1063","0.1081","","","","","","1.055","","","","has coordinates","272585","2022-02-04","19:13:44",""
"1565661","8.6416","0.0009","6.2775","0.0006","10.9475","0.0012","90","","96.634","0.004","90","","589.9","0.11","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","VRT-2433340","","","- C13 H14 O4 S -","- C13 H14 O4 S -","- C26 H28 O8 S2 -","2","1","","Goetzke, F. Wieland; Sidera, Mireia; Fletcher, Stephen P.","Catalytic asymmetric hydrometallation of cyclobutenes with salicylaldehydes.","Chemical science","2021","13","1","236","240","10.1039/d1sc06035j","","x-ray","0.71073","MoKα","K-L~3~","0.0234","0.0229","","","0.0634","0.0639","","","","","","1.098","","","","has coordinates","272560","2022-02-04","19:05:01",""
"1565662","7.4686","0.0005","26.405","0.002","19.52","0.0011","90","","97.925","0.005","90","","3812.7","0.4","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H68 B Ce O2 Si2 -","- C34 H68 B Ce O2 Si2 -","- C136 H272 B4 Ce4 O8 Si8 -","4","1","","Münzfeld, Luca; Sun, Xiaofei; Schlittenhardt, Sören; Schoo, Christoph; Hauser, Adrian; Gillhuber, Sebastian; Weigend, Florian; Ruben, Mario; Roesky, Peter W.","Introduction of plumbole to f-element chemistry","Chemical Science","2022","13","4","945","954","10.1039/D1SC03805B","","x-ray","0.71073","MoKα","","0.0441","0.0346","","","0.0866","0.0898","","","","","","0.977","","","","has coordinates","272578","2022-02-04","19:12:27",""
"1565663","15.8956","0.0003","24.908","0.0005","8.4943","0.0007","90","","90","","90","","3363.1","0.3","150","","150","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C30 H60 B Er O Si2 -","- C30 H60 B Er O Si2 -","- C120 H240 B4 Er4 O4 Si8 -","4","0.5","","Münzfeld, Luca; Sun, Xiaofei; Schlittenhardt, Sören; Schoo, Christoph; Hauser, Adrian; Gillhuber, Sebastian; Weigend, Florian; Ruben, Mario; Roesky, Peter W.","Introduction of plumbole to f-element chemistry","Chemical Science","2022","13","4","945","954","10.1039/D1SC03805B","","x-ray","0.71073","MoKα","","0.0279","0.0232","","","0.0591","0.0599","","","","","","0.991","","","","has coordinates,has disorder","272578","2022-02-04","19:12:27",""
"1565664","7.5051","0.0003","26.3267","0.0009","19.4417","0.0008","90","","98.004","0.003","90","","3804","0.3","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H68 B O2 Si2 Sm -","- C34 H68 B O2 Si2 Sm -","- C136 H272 B4 O8 Si8 Sm4 -","4","1","","Münzfeld, Luca; Sun, Xiaofei; Schlittenhardt, Sören; Schoo, Christoph; Hauser, Adrian; Gillhuber, Sebastian; Weigend, Florian; Ruben, Mario; Roesky, Peter W.","Introduction of plumbole to f-element chemistry","Chemical Science","2022","13","4","945","954","10.1039/D1SC03805B","","x-ray","0.71073","MoKα","","0.0622","0.051","","","0.1335","0.138","","","","","","1.021","","","","has coordinates","272578","2022-02-04","19:12:27",""
"1565665","13.3164","0.0004","13.319","0.0003","16.7792","0.0006","90","","97.425","0.003","90","","2951.02","0.15","100","","100","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C58 H96 Er Li O Pb Si4 -","- C58 H96 Er Li O Pb Si4 -","- C116 H192 Er2 Li2 O2 Pb2 Si8 -","2","1","","Münzfeld, Luca; Sun, Xiaofei; Schlittenhardt, Sören; Schoo, Christoph; Hauser, Adrian; Gillhuber, Sebastian; Weigend, Florian; Ruben, Mario; Roesky, Peter W.","Introduction of plumbole to f-element chemistry","Chemical Science","2022","13","4","945","954","10.1039/D1SC03805B","","","0.71073","MoKα","","0.0495","0.0358","","","0.0642","0.0677","","","","","","0.949","","","","has coordinates","272578","2022-02-04","19:12:27",""
"1565666","13.5678","0.0008","13.7727","0.0005","35.796","0.002","90","","93.725","0.005","90","","6674.9","0.6","150","","150","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C65 H104 Li O Pb Si4 Sm -","- C65 H104 Li O Pb Si4 Sm -","- C260 H416 Li4 O4 Pb4 Si16 Sm4 -","4","1","","Münzfeld, Luca; Sun, Xiaofei; Schlittenhardt, Sören; Schoo, Christoph; Hauser, Adrian; Gillhuber, Sebastian; Weigend, Florian; Ruben, Mario; Roesky, Peter W.","Introduction of plumbole to f-element chemistry","Chemical Science","2022","13","4","945","954","10.1039/D1SC03805B","","x-ray","0.71073","MoKα","","0.0362","0.0296","","","0.0728","0.0746","","","","","","0.997","","","","has coordinates","272578","2022-02-04","19:12:27",""
"1565667","22.0069","0.0007","16.3287","0.0004","22.8084","0.0007","90","","113.88","0.002","90","","7494.4","0.4","100","2","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C70 H126.8 Er Li O4 Pb Si4 -","- C70 H126.8 Er Li O4 Pb Si4 -","- C280 H507.2 Er4 Li4 O16 Pb4 Si16 -","4","1","","Münzfeld, Luca; Sun, Xiaofei; Schlittenhardt, Sören; Schoo, Christoph; Hauser, Adrian; Gillhuber, Sebastian; Weigend, Florian; Ruben, Mario; Roesky, Peter W.","Introduction of plumbole to f-element chemistry","Chemical Science","2022","13","4","945","954","10.1039/D1SC03805B","","","0.71073","MoKα","","0.0636","0.0456","","","0.1128","0.1214","","","","","","1.014","","","","has coordinates,has disorder","272578","2022-02-04","19:12:27",""
"1565668","13.4211","0.0002","13.6559","0.0002","16.7671","0.0003","90","","97.576","0.001","90","","3046.2","0.08","150","","150","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C58 H96 Ce Li O Pb Si4 -","- C58 H96 Ce Li O Pb Si4 -","- C116 H192 Ce2 Li2 O2 Pb2 Si8 -","2","1","","Münzfeld, Luca; Sun, Xiaofei; Schlittenhardt, Sören; Schoo, Christoph; Hauser, Adrian; Gillhuber, Sebastian; Weigend, Florian; Ruben, Mario; Roesky, Peter W.","Introduction of plumbole to f-element chemistry","Chemical Science","2022","13","4","945","954","10.1039/D1SC03805B","","","1.34143","GaKα","","0.0324","0.0307","","","0.0778","0.0795","","","","","","1.117","","","","has coordinates,has disorder","272578","2022-02-04","19:12:27",""
"1565669","13.1318","0.001","13.3996","0.0016","24.0543","0.0014","90.114","0.007","99.276","0.005","109.783","0.008","3923.4","0.6","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C73.5 H124 Er Li O8 Pb Si4 -","- C70 H120 Er Li O8 Pb Si4 -","- C140 H240 Er2 Li2 O16 Pb2 Si8 -","2","1","","Münzfeld, Luca; Sun, Xiaofei; Schlittenhardt, Sören; Schoo, Christoph; Hauser, Adrian; Gillhuber, Sebastian; Weigend, Florian; Ruben, Mario; Roesky, Peter W.","Introduction of plumbole to f-element chemistry","Chemical Science","2022","13","4","945","954","10.1039/D1SC03805B","","x-ray","0.71073","MoKα","","0.0397","0.0269","","","0.0576","0.0608","","","","","","1.043","","","","has coordinates,has disorder","272578","2022-02-04","19:12:27",""
"1565670","13.4752","0.0003","13.6204","0.0002","16.909","0.0004","90","","99.42","0.002","90","","3061.59","0.11","100","","100","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C58 H97 La Li O Pb Si4 -","- C58 H97 La Li O Pb Si4 -","- C116 H194 La2 Li2 O2 Pb2 Si8 -","2","1","","Münzfeld, Luca; Sun, Xiaofei; Schlittenhardt, Sören; Schoo, Christoph; Hauser, Adrian; Gillhuber, Sebastian; Weigend, Florian; Ruben, Mario; Roesky, Peter W.","Introduction of plumbole to f-element chemistry","Chemical Science","2022","13","4","945","954","10.1039/D1SC03805B","","","0.71073","MoKα","","0.0591","0.049","","","0.1169","0.1242","","","","","","1.035","","","","has coordinates,has disorder","272578","2022-02-04","19:12:27",""
"1565671","14.194","0.004","10.712","0.003","15.769","0.004","90","","102.51","0.004","90","","2340.7","1.1","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H25 Cl2 Fe N3 O12 -","- C16 H25 Cl2 Fe N3 O12 -","- C64 H100 Cl8 Fe4 N12 O48 -","4","2","","Lee, Yool; Oh, Chaeun; Kim, Jin; Park, Myong-Suk; Bae, Woo Kyun; Yoo, Kyung Hyun; Hong, Seungwoo","Bioinspired nonheme iron complex that triggers mitochondrial apoptotic signalling pathway specifically for colorectal cancer cells","Chemical Science","2022","13","3","737","747","10.1039/D1SC05094J","","","0.71073","MoKα","","0.0539","0.0359","","","0.0768","0.0864","","","","","","1.017","","","","has coordinates","272589","2022-02-04","19:14:19",""
"1565672","15.9079","0.0012","17.3412","0.0013","16.1343","0.0012","90","","90.724","0.001","90","","4450.5","0.6","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H46 Cl4 Fe2 N6 O23 -","- C32 H46 Cl4 Fe2 N6 O23 -","- C128 H184 Cl16 Fe8 N24 O92 -","4","0.5","","Lee, Yool; Oh, Chaeun; Kim, Jin; Park, Myong-Suk; Bae, Woo Kyun; Yoo, Kyung Hyun; Hong, Seungwoo","Bioinspired nonheme iron complex that triggers mitochondrial apoptotic signalling pathway specifically for colorectal cancer cells","Chemical Science","2022","13","3","737","747","10.1039/D1SC05094J","","","0.71073","MoKα","","0.0325","0.0298","","","0.0796","0.0817","","","","","","1.082","","","","has coordinates","272589","2022-02-04","19:14:19",""
"1565673","14.289","0.004","8.933","0.002","28.022","0.007","90","","90","","90","","3576.8","1.6","120","2","120","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C16 H21 Cl2 Mn N3 O2 -","- C16 H21 Cl2 Mn N3 O2 -","- C128 H168 Cl16 Mn8 N24 O16 -","8","2","","Lee, Yool; Oh, Chaeun; Kim, Jin; Park, Myong-Suk; Bae, Woo Kyun; Yoo, Kyung Hyun; Hong, Seungwoo","Bioinspired nonheme iron complex that triggers mitochondrial apoptotic signalling pathway specifically for colorectal cancer cells","Chemical Science","2022","13","3","737","747","10.1039/D1SC05094J","","","0.71073","MoKα","","0.045","0.0404","","","0.1025","0.1052","","","","","","1.097","","","","has coordinates","272589","2022-02-04","19:14:19",""
"1565674","7.5343","0.0001","17.2112","0.0001","11.5465","0.0001","90","","95.379","0.001","90","","1490.69","0.03","123","0.1","123","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H16 O3 -","- C20 H16 O3 -","- C80 H64 O12 -","4","1","","Tian, Ya-Ming; Wang, Huaiju; Ritu, ?; König, Burkhard","Photocatalytic synthesis of tetra-substituted furans promoted by carbon dioxide.","Chemical science","2021","13","1","241","246","10.1039/d1sc06403g","","x-ray","1.54184","CuKα","","0.0331","0.0317","","","0.0813","0.0822","","","","","","1.037","","","","has coordinates","272565","2022-02-04","19:08:30",""
"1565715","18.4424","0.0011","17.3145","0.0011","7.318","0.0005","90","","93.009","0.002","90","","2333.6","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C31 H20 N2 -","- C31 H20 N2 -","- C124 H80 N8 -","4","1","","Shang, Qian; Tang, Haifang; Liu, Yongping; Yin, MingMing; Su, Lebin; Xie, Shimin; Liu, Lixin; Yang, Wen; Chen, Yi; Dong, Jianyu; Zhou, Yongbo; Yin, Shuang-Feng","Cu(i) catalysis for selective condensation/bicycloaromatization of two different arylalkynes: direct and general construction of functionalized C-N axial biaryl compounds.","Chemical science","2021","13","1","263","273","10.1039/d1sc03865f","","","0.71073","MoKα","","0.0422","0.0393","","","0.1025","0.1048","","","","","","1.085","","","","has coordinates","272568","2022-02-04","19:08:58",""
"1565762","9.757","0.005","17.585","0.01","17.518","0.009","90","","90.187","0.008","90","","3006","3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 Al F28 O3 Si -","- C18 H15 Al F28 O3 Si -","- C72 H60 Al4 F112 O12 Si4 -","4","1","","Barthélemy, Antoine; Glootz, Kim; Scherer, Harald; Hanske, Annaleah; Krossing, Ingo","Ga±catalyzed hydrosilylation? About the surprising system Ga+/HSiR3/olefin, proof of oxidation with subvalent Ga+ and silylium catalysis with perfluoroalkoxyaluminate anions","Chemical Science","2022","13","2","439","453","10.1039/D1SC05331K","","x-ray","0.71073","MoKα","","0.0524","0.0366","","","0.0919","0.1017","","","","","","1.034","","","","has coordinates,has disorder","272587","2022-02-04","19:14:03",""
"1565790","15.07667","0.00012","18.20509","0.00011","36.5229","0.0003","90","","94.8279","0.0008","90","","9988.95","0.13","139.99","0.11","139.99","0.11","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C80 H76 K Nd O6 Si4 -","- C80 H76 K Nd O6 Si4 -","- C320 H304 K4 Nd4 O24 Si16 -","4","1","","Willauer, Aurélien R.; Douair, Iskander; Chauvin, Anne-Sophie; Fadaei-Tirani, Farzaneh; Bünzli, Jean-Claude G.; Maron, Laurent; Mazzanti, Marinella","Structure, reactivity and luminescence studies of triphenylsiloxide complexes of tetravalent lanthanides","Chemical Science","2022","13","3","681","691","10.1039/D1SC05517H","","x-ray","1.54184","CuKα","","0.0435","0.0415","","","0.1228","0.1248","","","","","","1.024","","","","has coordinates,has disorder","272592","2022-02-04","19:15:40",""
"1565791","16.445","0.0004","23.0841","0.0007","21.7459","0.0006","90","","95.923","0.002","90","","8211.1","0.4","140","0.1","140","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C84 H84 O7 Si4 Tb -","- C84 H84 O7 Si4 Tb -","- C336 H336 O28 Si16 Tb4 -","4","0.5","","Willauer, Aurélien R.; Douair, Iskander; Chauvin, Anne-Sophie; Fadaei-Tirani, Farzaneh; Bünzli, Jean-Claude G.; Maron, Laurent; Mazzanti, Marinella","Structure, reactivity and luminescence studies of triphenylsiloxide complexes of tetravalent lanthanides","Chemical Science","2022","13","3","681","691","10.1039/D1SC05517H","","x-ray","1.54184","CuKα","","0.0699","0.0426","","","0.0904","0.0988","","","","","","0.924","","","","has coordinates,has disorder","272592","2022-02-04","19:15:41",""
"1565792","14.39059","0.00014","21.1314","0.0002","28.0674","0.0003","90","","91.3627","0.0009","90","","8532.69","0.15","140","0.1","140","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C92 H78 N O5 P Pr Si4 -","- C92 H78 N O5 P Pr Si4 -","- C368 H312 N4 O20 P4 Pr4 Si16 -","4","1","","Willauer, Aurélien R.; Douair, Iskander; Chauvin, Anne-Sophie; Fadaei-Tirani, Farzaneh; Bünzli, Jean-Claude G.; Maron, Laurent; Mazzanti, Marinella","Structure, reactivity and luminescence studies of triphenylsiloxide complexes of tetravalent lanthanides","Chemical Science","2022","13","3","681","691","10.1039/D1SC05517H","","x-ray","1.54184","CuKα","","0.0494","0.0395","","","0.0942","0.0984","","","","","","1.048","","","","has coordinates,has disorder","272592","2022-02-04","19:15:41",""
"1565793","16.5246","0.0006","23.1693","0.0009","21.7608","0.0008","90","","95.951","0.004","90","","8286.5","0.5","140","0.1","140","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C84 H84 Ce O7 Si4 -","- C84 H84 Ce O7 Si4 -","- C336 H336 Ce4 O28 Si16 -","4","0.5","","Willauer, Aurélien R.; Douair, Iskander; Chauvin, Anne-Sophie; Fadaei-Tirani, Farzaneh; Bünzli, Jean-Claude G.; Maron, Laurent; Mazzanti, Marinella","Structure, reactivity and luminescence studies of triphenylsiloxide complexes of tetravalent lanthanides","Chemical Science","2022","13","3","681","691","10.1039/D1SC05517H","","x-ray","1.54184","CuKα","","0.0887","0.0626","","","0.147","0.1656","","","","","","0.987","","","","has coordinates","272592","2022-02-04","19:15:41",""
"1565794","15.5527","0.0009","26.7995","0.0012","38.849","0.002","90","","90","","90","","16192.4","1.4","140","0.1","140","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C94 H92 Ce K O6 Si4 -","- C94 H92 Ce K O6 Si4 -","- C752 H736 Ce8 K8 O48 Si32 -","8","1","","Willauer, Aurélien R.; Douair, Iskander; Chauvin, Anne-Sophie; Fadaei-Tirani, Farzaneh; Bünzli, Jean-Claude G.; Maron, Laurent; Mazzanti, Marinella","Structure, reactivity and luminescence studies of triphenylsiloxide complexes of tetravalent lanthanides","Chemical Science","2022","13","3","681","691","10.1039/D1SC05517H","","x-ray","1.54184","CuKα","","0.153","0.0679","","","0.1426","0.1858","","","","","","0.98","","","","has coordinates,has disorder","272592","2022-02-04","19:15:41",""
"1565795","13.4724","0.0004","28.4527","0.0009","22.4563","0.0008","90","","100.959","0.003","90","","8451.1","0.5","140","0.1","140","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C84 H84 Gd K O7 Si4 -","- C84 H84 Gd K O7 Si4 -","- C336 H336 Gd4 K4 O28 Si16 -","4","1","","Willauer, Aurélien R.; Douair, Iskander; Chauvin, Anne-Sophie; Fadaei-Tirani, Farzaneh; Bünzli, Jean-Claude G.; Maron, Laurent; Mazzanti, Marinella","Structure, reactivity and luminescence studies of triphenylsiloxide complexes of tetravalent lanthanides","Chemical Science","2022","13","3","681","691","10.1039/D1SC05517H","","x-ray","1.54184","CuKα","","0.097","0.0531","","","0.1207","0.1413","","","","","","0.948","","","","has coordinates,has disorder","272592","2022-02-04","19:15:41",""
"1565796","19.0352","0.0002","23.9418","0.0002","22.3713","0.0003","90","","92.2121","0.001","90","","10187.8","0.19","140","0.1","140","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C111 H99 K2 Nd O5 Si5 -","- C111 H99 K2 Nd O5 Si5 -","- C444 H396 K8 Nd4 O20 Si20 -","4","1","","Willauer, Aurélien R.; Douair, Iskander; Chauvin, Anne-Sophie; Fadaei-Tirani, Farzaneh; Bünzli, Jean-Claude G.; Maron, Laurent; Mazzanti, Marinella","Structure, reactivity and luminescence studies of triphenylsiloxide complexes of tetravalent lanthanides","Chemical Science","2022","13","3","681","691","10.1039/D1SC05517H","","x-ray","1.54184","CuKα","","0.0624","0.0509","","","0.1262","0.1346","","","","","","1.052","","","","has coordinates,has disorder","272592","2022-02-04","19:15:41",""
"1565814","31.1312","0.0004","31.1312","0.0004","15.5307","0.0003","90","","90","","120","","13035.1","0.3","173","2","173","","","","","","","","","6","P -3","-P 3","147","","","","- C77 H81.33 Cl4.17 Co2 N8 O1.67 -","- C77 H81.3332 Cl4.16667 Co2 N8 O1.66667 -","- C462 H487.999 Cl25 Co12 N48 O10 -","6","1","","Zhou, Weinan; Sarma, Tridib; Su, Yonghuan; Lei, Chuanhu; Sessler, Jonathan L.","Kinetic trapping of a cobalt(ii) metallocage using a carbazole-containing expanded carbaporphyrinoid ligand","Chemical Science","2022","13","3","692","697","10.1039/D1SC06514A","","","1.54178","CuKα","","0.0803","0.0605","","","0.1669","0.182","","","","","","1.028","","","","has coordinates","272591","2022-02-04","19:14:56",""
"1565815","28.535","0.006","13.861","0.003","20.682","0.004","90","","101.36","0.03","90","","8020","3","173","2","173.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C81 H92 Cl8 N8 O3 Zn2 -","- C81 H92 Cl8 N8 O3 Zn2 -","- C324 H368 Cl32 N32 O12 Zn8 -","4","1","","Zhou, Weinan; Sarma, Tridib; Su, Yonghuan; Lei, Chuanhu; Sessler, Jonathan L.","Kinetic trapping of a cobalt(ii) metallocage using a carbazole-containing expanded carbaporphyrinoid ligand","Chemical Science","2022","13","3","692","697","10.1039/D1SC06514A","","","0.71073","MoKα","","0.105","0.0931","","","0.2829","0.3013","","","","","","1.081","","","","has coordinates","272591","2022-02-04","19:14:57",""
"1565816","28.3373","0.0006","14.5574","0.0003","20.3283","0.0005","90","","100.895","0.001","90","","8234.6","0.3","173","2","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C77 H80 Cl4 Co2 N8 -","- C77 H80 Cl4 Co2 N8 -","- C308 H320 Cl16 Co8 N32 -","4","1","","Zhou, Weinan; Sarma, Tridib; Su, Yonghuan; Lei, Chuanhu; Sessler, Jonathan L.","Kinetic trapping of a cobalt(ii) metallocage using a carbazole-containing expanded carbaporphyrinoid ligand","Chemical Science","2022","13","3","692","697","10.1039/D1SC06514A","","","1.54178","CuKα","","0.0717","0.0583","","","0.1701","0.181","","","","","","1.06","","","","has coordinates","272591","2022-02-04","19:14:57",""
"1565817","11.694","0.0004","20.7153","0.0006","27.718","0.0009","68.59","0.001","89.019","0.002","82.809","0.002","6199","0.3","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C152 H152 N16 Pd4 -","- C152 H152 N16 Pd4 -","- C304 H304 N32 Pd8 -","2","1","","Zhou, Weinan; Sarma, Tridib; Su, Yonghuan; Lei, Chuanhu; Sessler, Jonathan L.","Kinetic trapping of a cobalt(ii) metallocage using a carbazole-containing expanded carbaporphyrinoid ligand","Chemical Science","2022","13","3","692","697","10.1039/D1SC06514A","","","1.54178","CuKα","","0.0578","0.0521","","","0.1414","0.1471","","","","","","1.043","","","","has coordinates,has disorder","272591","2022-02-04","19:14:57",""
"1565818","26.2135","0.0015","48.489","0.003","7.7284","0.0005","90","","90","","90","","9823.3","1","100","","100","","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C16 H24 B F4 N -","- C16 H24 B F4 N -","- C384 H576 B24 F96 N24 -","24","3","","Liu, Ming-Shang; Du, Hai-Wu; Shu, Wei","Metal-free allylic C–H nitrogenation, oxygenation, and carbonation of alkenes by thianthrenation","Chemical Science","2022","13","4","1003","1008","10.1039/D1SC06577G","","x-ray","1.54178","CuKα","","0.0622","0.058","","","0.1544","0.158","","","","","","1.036","","","","has coordinates,has disorder","272583","2022-02-04","19:13:25",""
"1565819","6.0869","0.0003","17.6346","0.0009","17.8806","0.0009","90","","92.23","0.003","90","","1917.85","0.17","150","","150","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H24 O3 -","- C24 H24 O3 -","- C96 H96 O12 -","4","2","","Liu, Ming-Shang; Du, Hai-Wu; Shu, Wei","Metal-free allylic C–H nitrogenation, oxygenation, and carbonation of alkenes by thianthrenation","Chemical Science","2022","13","4","1003","1008","10.1039/D1SC06577G","","x-ray","1.54178","CuKα","","0.0778","0.068","","","0.1896","0.207","","","","","","1.103","","","","has coordinates,has disorder","272583","2022-02-04","19:13:25",""
"1565820","9.1824","0.001","17.1893","0.0015","16.2826","0.0015","90","","99.542","0.004","90","","2534.5","0.4","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 F6 O6 S4 -","- C24 H20 F6 O6 S4 -","- C96 H80 F24 O24 S16 -","4","1","","Liu, Ming-Shang; Du, Hai-Wu; Shu, Wei","Metal-free allylic C–H nitrogenation, oxygenation, and carbonation of alkenes by thianthrenation","Chemical Science","2022","13","4","1003","1008","10.1039/D1SC06577G","","x-ray","1.54178","CuKα","","0.0373","0.0356","","","0.0933","0.0947","","","","","","1.047","","","","has coordinates","272583","2022-02-04","19:13:25",""
"1565821","14.3788","0.0008","7.5241","0.0005","35.493","0.002","90","","90","","90","","3839.9","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Cis-N-(4-iodophenyl)-2-2-methyl-3-phenyl-2,3-dihydrobenzofuran-2-yl)acetamide","","- C23 H20 I N O2 -","- C23 H20 I N O2 -","- C184 H160 I8 N8 O16 -","8","1","","Dishman, Sarah N.; Laconsay, Croix J.; Fettinger, James C.; Tantillo, Dean J.; Shaw, Jared T.","Divergent stereochemical outcomes in the insertion of donor/donor carbenes into the C–H bonds of stereogenic centers","Chemical Science","2022","13","4","1030","1036","10.1039/D1SC04622E","","","0.71073","MoKα","","0.0403","0.0359","","","0.0715","0.0738","","","","","","1.155","","","","has coordinates,has disorder","272579","2022-02-04","19:12:40",""
"1565822","8.7754","0.0005","8.8984","0.0006","12.8772","0.0008","99.2233","0.0018","96.0361","0.0018","91.197","0.0017","986.31","0.11","100","2","100","2","","","","","","","","5","P 1","P 1","1","","Trans-N-(4-iodophenyl)-2-2-methyl-3-phenyl-2,3-dihydrobenzofuran-2-yl)acetamide","","- C23 H20 I N O2 -","- C23 H20 I N O2 -","- C46 H40 I2 N2 O4 -","2","2","","Dishman, Sarah N.; Laconsay, Croix J.; Fettinger, James C.; Tantillo, Dean J.; Shaw, Jared T.","Divergent stereochemical outcomes in the insertion of donor/donor carbenes into the C–H bonds of stereogenic centers","Chemical Science","2022","13","4","1030","1036","10.1039/D1SC04622E","","","0.71073","MoKα","","0.0217","0.0194","","","0.0399","0.0408","","","","","","1.059","","","","has coordinates","272579","2022-02-04","19:12:41",""
"1565823","6.3151","0.0004","11.198","0.0007","17.7567","0.001","85.4422","0.0016","85.449","0.0017","86.8128","0.0017","1246.24","0.13","90","2","90","2","","","","","","","","4","P 1","P 1","1","","1-hydroxy-N-(4-((2R,3S)-2-methyl-2-phenyl-2,3-dihydrobenzofurna-3-yl)benzyl)-2-napthamide","","- C33 H27 N O3 -","- C33 H27 N O3 -","- C66 H54 N2 O6 -","2","2","","Dishman, Sarah N.; Laconsay, Croix J.; Fettinger, James C.; Tantillo, Dean J.; Shaw, Jared T.","Divergent stereochemical outcomes in the insertion of donor/donor carbenes into the C–H bonds of stereogenic centers","Chemical Science","2022","13","4","1030","1036","10.1039/D1SC04622E","","","1.54178","CuKα","","0.029","0.0289","","","0.0778","0.0778","","","","","","1.013","","","","has coordinates","272579","2022-02-04","19:12:41",""
"1565833","6.29835","0.00009","10.64131","0.00014","7.53892","0.00011","90","","103.504","0.0014","90","","491.31","0.012","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C10 H14 O4 -","- C10 H14 O4 -","- C20 H28 O8 -","2","1","","Ai, Yong; Li, Peng-Fei; Yang, Meng-Juan; Xu, Yu-Qiu; Li, Meng-Zhen; Xiong, Ren-Gen","An organic plastic ferroelectric with high Curie point","Chemical Science","2022","13","3","748","753","10.1039/D1SC06781H","","","1.54184","CuKα","","0.0217","0.0217","","","0.0586","0.0587","","","","","","1.097","","","","has coordinates","272593","2022-02-04","19:15:50",""
"1565834","6.3879","0.0002","10.8484","0.0003","7.6137","0.0003","90","","103.203","0.003","90","","513.67","0.03","373.01","0.11","373.01","0.11","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C10 H14 O4 -","- C10 H14 O4 -","- C20 H28 O8 -","2","1","","Ai, Yong; Li, Peng-Fei; Yang, Meng-Juan; Xu, Yu-Qiu; Li, Meng-Zhen; Xiong, Ren-Gen","An organic plastic ferroelectric with high Curie point","Chemical Science","2022","13","3","748","753","10.1039/D1SC06781H","","x-ray","1.54184","CuKα","","0.0584","0.0544","","","0.2882","0.2892","","","","","","1.416","","","","has coordinates","272593","2022-02-04","19:15:50",""
"1565835","17.1728","0.0006","17.1728","0.0006","17.1728","0.0006","90","","90","","90","","5064.3","0.3","119.5","0.8","119.5","0.8","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- C10 H11 Fe N4 -","- C10 H11 Fe N4 -","- C120 H132 Fe12 N48 -","12","0.25","","López-Cabrelles, Javier; Miguel-Casañ, Eugenia; Esteve-Rochina, María; Andres-Garcia, Eduardo; Vitórica-Yrezábal, Iñigo J.; Calbo, Joaquín; Mínguez Espallargas, Guillermo","Multivariate sodalite zeolitic imidazolate frameworks: a direct solvent-free synthesis","Chemical Science","2022","13","3","842","847","10.1039/D1SC04779E","","x-ray","0.71073","MoKα","","0.0745","0.0538","","","0.1108","0.1187","","","","","","1.041","","","","has coordinates,has disorder","272597","2022-02-04","19:16:56",""
"1565836","17.317","0.0001","17.317","0.0001","17.317","0.0001","90","","90","","90","","5193","0.05","120","0.1","120","0.1","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- C12 H14 Fe N4 -","- C12 H14.0004 Fe N4 -","- C144 H168.005 Fe12 N48 -","12","0.25","","López-Cabrelles, Javier; Miguel-Casañ, Eugenia; Esteve-Rochina, María; Andres-Garcia, Eduardo; Vitórica-Yrezábal, Iñigo J.; Calbo, Joaquín; Mínguez Espallargas, Guillermo","Multivariate sodalite zeolitic imidazolate frameworks: a direct solvent-free synthesis","Chemical Science","2022","13","3","842","847","10.1039/D1SC04779E","","x-ray","0.71073","MoKα","","0.0482","0.0317","","","0.0908","0.098","","","","","","1.008","","","","has coordinates,has disorder","272597","2022-02-04","19:16:58",""
"1565837","17.6742","0.0003","17.6742","0.0003","11.6231","0.0003","90","","90","","120","","3144.36","0.11","170","2","170","2","","","","","","","","3","P 61","P 61","169","","","","- C25 H20 O4 -","- C25 H20 O4 -","- C150 H120 O24 -","6","1","","Lang, Jiawen; Wang, Siyuan; He, Changli; Liu, Xiaohua; Feng, Xiaoming","Asymmetric synthesis of isochromanone derivatives via trapping carboxylic oxonium ylides and aldol cascade","Chemical Science","2022","13","4","1163","1168","10.1039/D1SC06025B","","","1.54178","CuKα","","0.0429","0.0383","","","0.1018","0.1046","","","","","","1.089","","","","has coordinates","272582","2022-02-04","19:13:11",""
"1565838","6.5263","0.0001","13.9032","0.0003","21.5712","0.0004","90","","90","","90","","1957.29","0.06","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H22 O4 -","- C25 H22 O4 -","- C100 H88 O16 -","4","1","","Lang, Jiawen; Wang, Siyuan; He, Changli; Liu, Xiaohua; Feng, Xiaoming","Asymmetric synthesis of isochromanone derivatives via trapping carboxylic oxonium ylides and aldol cascade","Chemical Science","2022","13","4","1163","1168","10.1039/D1SC06025B","","","1.54178","CuKα","","0.0303","0.0282","","","0.0732","0.0752","","","","","","1.127","","","","has coordinates","272582","2022-02-04","19:13:11",""
"1565840","23.376","0.002","10.6352","0.0009","20.2506","0.0019","90","","106.848","0.004","90","","4818.4","0.7","125","2","125","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","21011","","","- C22 H19 Cl5 N2 Zn -","- C22 H19 Cl5 N2 Zn -","- C176 H152 Cl40 N16 Zn8 -","8","2","","Frye, Connor W.; Egger, Dominic T.; Kounalis, Errikos; Pearce, Adam J.; Cheng, Yukun; Tonks, Ian A.","α-Diimine synthesis via titanium-mediated multicomponent diimination of alkynes with C-nitrosos","Chemical Science","2022","13","5","1469","1477","10.1039/D1SC06111A","","","0.71073","MoKα","","0.1196","0.0687","","","0.1758","0.2124","","","","","","1.053","","","","has coordinates,has disorder","272576","2022-02-04","19:11:43",""
"1565906","32.9756","0.0004","9.2126","0.0001","13.7861","0.0002","90","","101.232","0.001","90","","4107.88","0.09","100.01","0.1","100.01","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H29 N O3 -","- C24 H29 N O3 -","- C192 H232 N8 O24 -","8","1","","Zhang, Bei-Bei; Peng, Shuo; Wang, Feiyi; Lu, Cuifen; Nie, Junqi; Chen, Zuxing; Yang, Guichun; Ma, Chao","Borane-catalyzed cascade Friedel–Crafts alkylation/[1,5]-hydride transfer/Mannich cyclization to afford tetrahydroquinolines","Chemical Science","2022","13","3","775","780","10.1039/D1SC05629H","","x-ray","1.54184","CuKα","","0.0365","0.0335","","","0.0852","0.0884","","","","","","1.035","","","","has coordinates","272596","2022-02-04","19:16:34",""
"1565907","5.7626","0.0001","21.7654","0.0003","36.032","0.0005","90","","91.845","0.001","90","","4516.98","0.12","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C27 H27 N O3 -","- C27 H27 N O3 -","- C216 H216 N8 O24 -","8","2","","Zhang, Bei-Bei; Peng, Shuo; Wang, Feiyi; Lu, Cuifen; Nie, Junqi; Chen, Zuxing; Yang, Guichun; Ma, Chao","Borane-catalyzed cascade Friedel–Crafts alkylation/[1,5]-hydride transfer/Mannich cyclization to afford tetrahydroquinolines","Chemical Science","2022","13","3","775","780","10.1039/D1SC05629H","","x-ray","1.54184","CuKα","","0.0497","0.046","","","0.1235","0.1271","","","","","","1.034","","","","has coordinates","275434","2022-05-16","05:31:59",""
"1565908","9.4239","0.0001","10.0699","0.0001","11.235","0.0001","90","","103.712","0.001","90","","1035.79","0.018","298.3","0.1","298.3","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H26 N2 O3 -","- C23 H26 N2 O3 -","- C46 H52 N4 O6 -","2","1","","Liang, Hui; Ji, Dong-Sheng; Xu, Guo-Qiang; Luo, Yong-Chun; Zheng, Haixue; Xu, Peng-Fei","Metal-free, visible-light induced enantioselective three-component dicarbofunctionalization and oxytrifluoromethylation of enamines via chiral phosphoric acid catalysis","Chemical Science","2022","13","4","1088","1094","10.1039/D1SC06613G","","x-ray","1.54184","CuKα","","0.0342","0.0331","","","0.0878","0.0884","","","","","","1.094","","","","has coordinates,has disorder","272581","2022-02-04","19:13:02",""
"1565909","8.0916","0.0006","6.0738","0.0005","12.9097","0.001","90","","105.671","0.007","90","","610.89","0.09","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C12 H9 Br F N3 O -","- C12 H9 Br F N3 O -","- C24 H18 Br2 F2 N6 O2 -","2","1","","Komatsuda, Masaaki; Suto, Ayane; Kondo, Hiroki; Takada, Hiroyuki; Kato, Kenta; Saito, Bunnai; Yamaguchi, Junichiro","Ring-opening fluorination of bicyclic azaarenes","Chemical Science","2022","13","3","665","670","10.1039/D1SC06273E","","","1.5418","CuKα","","0.0324","0.0323","","","0.0846","0.0847","","","","","","1.148","","","","has coordinates","272595","2022-02-04","19:16:24",""
"1565910","8.8242","0.0003","7.5306","0.0002","19.3128","0.0006","90","","96.98","0.001","90","","1273.85","0.07","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 N O3 -","- C16 H13 N O3 -","- C64 H52 N4 O12 -","4","1","","Li, Long-Hai; Wei, Hao-Zhao; Wei, Yin; Shi, Min","The Morita–Baylis–Hillman reaction for non-electron-deficient olefins enabled by photoredox catalysis","Chemical Science","2022","13","5","1478","1483","10.1039/D1SC06784B","","","0.71073","MoKα","","0.0378","0.0328","","","0.0812","0.0851","","","","","","1.044","","","","has coordinates","272572","2022-02-04","19:11:05",""
"1565911","6.8237","0.0002","21.9249","0.0006","8.5663","0.0002","90","","96.654","0.001","90","","1272.96","0.06","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 N O4 -","- C13 H15 N O4 -","- C52 H60 N4 O16 -","4","1","","Li, Long-Hai; Wei, Hao-Zhao; Wei, Yin; Shi, Min","The Morita–Baylis–Hillman reaction for non-electron-deficient olefins enabled by photoredox catalysis","Chemical Science","2022","13","5","1478","1483","10.1039/D1SC06784B","","","0.71073","MoKα","","0.0467","0.0376","","","0.0936","0.1011","","","","","","1.024","","","","has coordinates","272572","2022-02-04","19:11:06",""
"1565912","11.917","0.0003","7.3388","0.0002","20.1019","0.0005","90","","92.932","0.001","90","","1755.74","0.08","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 N O2 -","- C22 H23 N O2 -","- C88 H92 N4 O8 -","4","1","","Li, Long-Hai; Wei, Hao-Zhao; Wei, Yin; Shi, Min","The Morita–Baylis–Hillman reaction for non-electron-deficient olefins enabled by photoredox catalysis","Chemical Science","2022","13","5","1478","1483","10.1039/D1SC06784B","","","0.71073","MoKα","","0.0543","0.0462","","","0.1176","0.126","","","","","","1.041","","","","has coordinates","272572","2022-02-04","19:11:06",""
"1565913","6.9435","0.0002","11.9044","0.0004","21.0418","0.0007","74.164","0.001","85.968","0.001","83.016","0.001","1659.59","0.09","213","2","213","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H21 N O2 -","- C20 H21 N O2 -","- C80 H84 N4 O8 -","4","2","","Li, Long-Hai; Wei, Hao-Zhao; Wei, Yin; Shi, Min","The Morita–Baylis–Hillman reaction for non-electron-deficient olefins enabled by photoredox catalysis","Chemical Science","2022","13","5","1478","1483","10.1039/D1SC06784B","","","0.71073","MoKα","","0.0527","0.039","","","0.0875","0.0967","","","","","","1.027","","","","has coordinates","272572","2022-02-04","19:11:06",""
"1565914","13.6939","0.0009","19.0018","0.0012","50.945","0.003","90","","90.412","0.004","90","","13256","1.4","170","2","170","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C108 H128 Cl4 N12 O26 -","- C108 H128 Cl4 N12 O26 -","- C432 H512 Cl16 N48 O104 -","4","1","","Chen, Qiong; Lei, Ye; Wu, Guangcheng; Li, Qing; Pan, Yuanjiang; Li, Hao","Ultramacrocyclization in water via external templation","Chemical Science","2022","13","3","798","803","10.1039/D1SC06236K","","","1.34139","GaKα","","0.2392","0.1224","","","0.3055","0.3812","","","","","","1.086","","","","has coordinates","272594","2022-02-04","19:16:16",""
"1565915","10.312","0.0012","20.687","0.002","26.395","0.003","74.272","0.007","81.268","0.008","78.693","0.008","5285.6","1","184","2","183.95","","","","","","","","","5","P -1","-P 1","2","","","","- C49 H57 Cl2 N6 O11.5 -","- C49 H57 Cl2 N6 O11.5 -","- C196 H228 Cl8 N24 O46 -","4","2","","Chen, Qiong; Lei, Ye; Wu, Guangcheng; Li, Qing; Pan, Yuanjiang; Li, Hao","Ultramacrocyclization in water via external templation","Chemical Science","2022","13","3","798","803","10.1039/D1SC06236K","","","1.34139","GaKα","","0.2236","0.1263","","","0.3271","0.4007","","","","","","1.036","","","","has coordinates","272594","2022-02-04","19:16:16",""
"1565916","9.22","0.02","19.51","0.05","20.82","0.05","62.99","0.05","86.96","0.06","78.01","0.05","3260","14","175","2","174.82","","","","","","","","","6","P -1","-P 1","2","","","","- C50 H52 F12 N6 O7 P2 -","- C50 H52 F12 N6 O7 P2 -","- C100 H104 F24 N12 O14 P4 -","2","1","","Chen, Qiong; Lei, Ye; Wu, Guangcheng; Li, Qing; Pan, Yuanjiang; Li, Hao","Ultramacrocyclization in water via external templation","Chemical Science","2022","13","3","798","803","10.1039/D1SC06236K","","","1.34139","GaKα","","0.284","0.1221","","","0.3225","0.4298","","","","","","0.935","","","","has coordinates","272594","2022-02-04","19:16:16",""
"1565917","14.5032","0.0006","23.2785","0.001","23.8851","0.0011","107.441","0.003","93.266","0.003","104.627","0.003","7366.6","0.6","173","2","173.02","","","","","","","","","5","P -1","-P 1","2","","","","- C102 H102 Cl2 N38 O25 -","- C102 H102 Cl2 N38 O25 -","- C204 H204 Cl4 N76 O50 -","2","1","","Chen, Qiong; Lei, Ye; Wu, Guangcheng; Li, Qing; Pan, Yuanjiang; Li, Hao","Ultramacrocyclization in water via external templation","Chemical Science","2022","13","3","798","803","10.1039/D1SC06236K","","","1.34139","GaKα","","0.2159","0.1686","","","0.3688","0.3908","","","","","","1.159","","","","has coordinates","272594","2022-02-04","19:16:16",""
"1565922","9.0213","0.0001","12.4023","0.0002","32.9897","0.0006","90","","94.685","0.001","90","","3678.72","0.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C49 H37 B Cl2 O2 -","- C49 H37 B Cl2 O2 -","- C196 H148 B4 Cl8 O8 -","4","1","","Narita, Hiroki; Choi, Heekyoung; Ito, Masato; Ando, Naoki; Ogi, Soichiro; Yamaguchi, Shigehiro","Fully fused boron-doped polycyclic aromatic hydrocarbons: their synthesis, structure–property relationships, and self-assembly behavior in aqueous media","Chemical Science","2022","13","5","1484","1491","10.1039/D1SC06710A","","","0.4137","Synchrotron","","0.0711","0.0681","","","0.1675","0.1695","","","","","","1.163","","","","has coordinates,has disorder","272570","2022-02-04","19:10:32",""
"1565923","9.1151","0.0002","12.6682","0.0002","21.4094","0.0004","89.252","0.002","84.01","0.002","84.665","0.002","2448.02","0.08","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C63 H53 B Cl2 O2 Si2 -","- C63 H53 B Cl2 O2 Si2 -","- C126 H106 B2 Cl4 O4 Si4 -","2","1","","Narita, Hiroki; Choi, Heekyoung; Ito, Masato; Ando, Naoki; Ogi, Soichiro; Yamaguchi, Shigehiro","Fully fused boron-doped polycyclic aromatic hydrocarbons: their synthesis, structure–property relationships, and self-assembly behavior in aqueous media","Chemical Science","2022","13","5","1484","1491","10.1039/D1SC06710A","","","0.71073","MoKα","","0.0845","0.058","","","0.1497","0.1636","","","","","","1.033","","","","has coordinates","272570","2022-02-04","19:10:33",""
"1565924","18.5697","0.0008","12.0685","0.0004","16.8103","0.0007","90","","95.339","0.004","90","","3751","0.3","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C54 H37 B O2 -","- C54 H37 B O2 -","- C216 H148 B4 O8 -","4","1","","Narita, Hiroki; Choi, Heekyoung; Ito, Masato; Ando, Naoki; Ogi, Soichiro; Yamaguchi, Shigehiro","Fully fused boron-doped polycyclic aromatic hydrocarbons: their synthesis, structure–property relationships, and self-assembly behavior in aqueous media","Chemical Science","2022","13","5","1484","1491","10.1039/D1SC06710A","","","0.71073","MoKα","","0.1407","0.0613","","","0.1231","0.1558","","","","","","1.008","","","","has coordinates","272570","2022-02-04","19:10:33",""
"1565925","12.1456","0.0004","15.8222","0.0005","35.8589","0.0012","90","","98.879","0.003","90","","6808.4","0.4","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C50 H35 B O2 -","- C50 H35 B O2 -","- C400 H280 B8 O16 -","8","2","","Narita, Hiroki; Choi, Heekyoung; Ito, Masato; Ando, Naoki; Ogi, Soichiro; Yamaguchi, Shigehiro","Fully fused boron-doped polycyclic aromatic hydrocarbons: their synthesis, structure–property relationships, and self-assembly behavior in aqueous media","Chemical Science","2022","13","5","1484","1491","10.1039/D1SC06710A","","","0.71073","MoKα","","0.1737","0.0666","","","0.1272","0.1682","","","","","","1.005","","","","has coordinates","272570","2022-02-04","19:10:33",""
"1565926","12.239","0.004","20.228","0.003","19.483","0.002","90","","99.971","0.01","90","","4750.6","1.8","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H59 Ni O9 P2 -","- C50 H59 Ni O9 P2 -","- C200 H236 Ni4 O36 P8 -","4","1","","Luu, Quang H.; Li, Junqi","A C-to-O atom-swapping reaction sequence enabled by Ni-catalyzed decarbonylation of lactones","Chemical Science","2022","13","4","1095","1100","10.1039/D1SC06968C","","","1.54178","CuKα","","0.0686","0.0651","","","0.1787","0.1818","","","","","","1.109","","","","has coordinates","272577","2022-02-04","19:11:54",""
"1565927","9.0475","0.0015","18.2763","0.0014","12.7484","0.0011","90","","105.437","0.009","90","","2032","0.4","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C45 H64 Ni O P2 -","- C45 H64 Ni O P2 -","- C90 H128 Ni2 O2 P4 -","2","1","","Luu, Quang H.; Li, Junqi","A C-to-O atom-swapping reaction sequence enabled by Ni-catalyzed decarbonylation of lactones","Chemical Science","2022","13","4","1095","1100","10.1039/D1SC06968C","","","1.54178","CuKα","","0.0363","0.035","","","0.0793","0.0801","","","","","","1.13","","","","has coordinates,has disorder","272577","2022-02-04","19:11:54",""
"1565972","22.958","0.0007","9.4271","0.0003","7.0146","0.0003","90","","90","","90","","1518.15","0.09","120","0.1","120","0.1","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C20 H13 B Br N -","- C20 H13 B Br N -","- C80 H52 B4 Br4 N4 -","4","1","","Yuan, Kang; Volland, Daniel; Kirschner, Sven; Uzelac, Marina; Nichol, Gary S.; Nowak-Król, Agnieszka; Ingleson, Michael J.","Enhanced N-directed electrophilic C–H borylation generates BN–[5]- and [6]helicenes with improved photophysical properties","Chemical Science","2022","13","4","1136","1145","10.1039/D1SC06513K","","x-ray","0.71073","MoKα","","0.0544","0.0353","","","0.0624","0.0679","","","","","","1.035","","","","has coordinates","272580","2022-02-04","19:12:53",""
"1565973","6.6409","0.0002","12.0504","0.0004","15.9138","0.0006","78.061","0.003","78.902","0.003","79.901","0.003","1210.42","0.07","120","0.1","120","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C33 H26 B N -","- C33 H26 B N -","- C66 H52 B2 N2 -","2","1","","Yuan, Kang; Volland, Daniel; Kirschner, Sven; Uzelac, Marina; Nichol, Gary S.; Nowak-Król, Agnieszka; Ingleson, Michael J.","Enhanced N-directed electrophilic C–H borylation generates BN–[5]- and [6]helicenes with improved photophysical properties","Chemical Science","2022","13","4","1136","1145","10.1039/D1SC06513K","","x-ray","1.54184","CuKα","","0.0683","0.0571","","","0.1596","0.166","","","","","","1.053","","","","has coordinates,has disorder","272580","2022-02-04","19:12:55",""
"1565974","12.0461","0.0006","17.1985","0.0005","13.07","0.0006","90","","109.463","0.005","90","","2553","0.2","120.1","0.4","120.1","0.4","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H30 B N -","- C34 H30 B N -","- C136 H120 B4 N4 -","4","1","","Yuan, Kang; Volland, Daniel; Kirschner, Sven; Uzelac, Marina; Nichol, Gary S.; Nowak-Król, Agnieszka; Ingleson, Michael J.","Enhanced N-directed electrophilic C–H borylation generates BN–[5]- and [6]helicenes with improved photophysical properties","Chemical Science","2022","13","4","1136","1145","10.1039/D1SC06513K","","x-ray","0.71073","MoKα","","0.1324","0.0623","","","0.1182","0.1424","","","","","","1.017","","","","has coordinates","272580","2022-02-04","19:12:55",""
"1565978","16.922","0.0015","17.1293","0.0018","27.104","0.003","90","","100.952","0.004","90","","7713.3","1.4","162","2","162","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","tetraepoxyoctabenzo[20]cyclacene-C60","","","- C214 H136 Cl4 O4 -","- C214 H136 Cl4 O4 -","- C428 H272 Cl8 O8 -","2","0.5","","Chen, Han; Xia, Zeming; Miao, Qian","Synthesis, aromatization and cavitates of an oxanorbornene-fused dibenzo[de,qr]tetracene nanobox","Chemical Science","2022","13","8","2280","2285","10.1039/D1SC06553J","","","0.71073","MoKα","","0.262","0.1808","","","0.4293","0.4849","","","","","","1.05","","","","has coordinates","273352","2022-03-04","22:07:32",""
"1565979","14.1531","0.0019","17.009","0.003","17.275","0.003","93.079","0.007","100.115","0.006","110.482","0.006","3805.1","1.1","173","2","173","2","","","","","","","","4","P -1","-P 1","2","Octa(t-butyl)-tetraepoxyoctabenzo[20]cyclacene 5(C2H4Cl2) 2(CH2Cl2)","","","- C148 H128 Cl14 O4 -","- C148 H128 Cl14 O4 -","- C148 H128 Cl14 O4 -","1","0.5","","Chen, Han; Xia, Zeming; Miao, Qian","Synthesis, aromatization and cavitates of an oxanorbornene-fused dibenzo[de,qr]tetracene nanobox","Chemical Science","2022","13","8","2280","2285","10.1039/D1SC06553J","","","0.71073","MoKα","","0.2505","0.1526","","","0.3946","0.4518","","","","","","1.365","","","","has coordinates","273352","2022-03-04","22:07:33",""
"1565980","10.0419","0.0005","15.6393","0.0007","42.1081","0.0019","92.477","0.002","91.364","0.002","91.427","0.002","6602.7","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C108 H62 Ca4 F8 O19 -","- C108 H62 Ca4 F8 O19 -","- C216 H124 Ca8 F16 O38 -","2","1","","Wu, Zhao-Feng; Tan, Bin; Fu, Zhi-Hua; Velasco, Ever; Liu, Xing-Wu; Teat, Simon J.; Zhu, Kun; Xing, Kai; Huang, Xiao-Ying; Li, Jing","Achieving a blue-excitable yellow-emitting Ca-LMOF phosphor via water induced phase transformation","Chemical Science","2022","13","5","1375","1381","10.1039/D1SC05594A","","","0.7288","synchrotron","","0.0794","0.0597","","","0.1666","0.1759","","","","","","1.048","","","","has coordinates,has disorder","272573","2022-02-04","19:11:14",""
"1565992","23.4286","0.0004","23.4286","0.0004","24.2838","0.0005","90","","90","","90","","13329.4","0.4","120","","120","","","","","","","","","5","P 42 21 2","P 4n 2n","94","","","","- C80 H199 K4 O99.5 P2 -","- C80 H107 K3 O99.5 P2 -","- C320 H428 K12 O398 P8 -","4","0.5","","Scelle, Jérémy; Vervoitte, Hugo; Bouteiller, Laurent; Chamoreau, Lise-Marie; Sollogoub, Matthieu; Vives, Guillaume; Hasenknopf, Bernold","Size-dependent compression of threaded alkyldiphosphate in head to head cyclodextrin [3]pseudorotaxanes","Chemical Science","2022","13","8","2218","2225","10.1039/D1SC05697B","","","1.54178","CuKα","","0.0893","0.0826","","","0.2328","0.2433","","","","","","1.047","","","","has coordinates,has disorder","273345","2022-03-04","22:05:01",""
"1565993","23.5333","0.0018","23.5333","0.0018","24.406","0.003","90","","90","","90","","13516","2","150","","150","","","","","","","","","5","P 42 21 2","P 4n 2n","94","","","","- C81 H195 K4 O96.5 P2 -","- C81 H101 K2.9999 O96.5012 P2.0006 -","- C324 H404 K11.9996 O386.005 P8.0024 -","4","0.5","","Scelle, Jérémy; Vervoitte, Hugo; Bouteiller, Laurent; Chamoreau, Lise-Marie; Sollogoub, Matthieu; Vives, Guillaume; Hasenknopf, Bernold","Size-dependent compression of threaded alkyldiphosphate in head to head cyclodextrin [3]pseudorotaxanes","Chemical Science","2022","13","8","2218","2225","10.1039/D1SC05697B","","","1.54178","CuKα","","0.0906","0.087","","","0.245","0.2548","","","","","","1.21","","","","has coordinates,has disorder","273345","2022-03-04","22:05:02",""
"1565994","22.944","0.003","13.9699","0.0015","44.772","0.005","90","","92.681","0.008","90","","14335","3","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C168 H443 K8 O213.5 P4 -","- C166 H183 K O210.5 P3.5 -","- C332 H366 K2 O421 P7 -","2","1","","Scelle, Jérémy; Vervoitte, Hugo; Bouteiller, Laurent; Chamoreau, Lise-Marie; Sollogoub, Matthieu; Vives, Guillaume; Hasenknopf, Bernold","Size-dependent compression of threaded alkyldiphosphate in head to head cyclodextrin [3]pseudorotaxanes","Chemical Science","2022","13","8","2218","2225","10.1039/D1SC05697B","","","1.54178","CuKα","","0.1136","0.0947","","","0.2295","0.2503","","","","","","1.033","","","","has coordinates,has disorder","273345","2022-03-04","22:05:02",""
"1565995","23.3244","0.001","23.3244","0.001","48.784","0.003","90","","90","","90","","26540","2","120","","120","","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C82 H201.75 K4 O98.88 P2 -","- C82 H102 K4.74985 O98.8333 P2 -","- C656 H816 K37.9988 O790.666 P16 -","8","1","","Scelle, Jérémy; Vervoitte, Hugo; Bouteiller, Laurent; Chamoreau, Lise-Marie; Sollogoub, Matthieu; Vives, Guillaume; Hasenknopf, Bernold","Size-dependent compression of threaded alkyldiphosphate in head to head cyclodextrin [3]pseudorotaxanes","Chemical Science","2022","13","8","2218","2225","10.1039/D1SC05697B","","","1.54178","CuKα","","0.0882","0.0842","","","0.2352","0.2406","","","","","","1.042","","","","has coordinates,has disorder","273345","2022-03-04","22:05:02",""
"1566046","7.6588","0.0004","7.9714","0.0003","12.8907","0.0005","99.211","0.003","90.731","0.004","99.142","0.004","766.39","0.06","170","","170","","","","","","","","","5","P 1","P 1","1","","","","- C16 H19 N O3 S -","- C16 H19 N O3 S -","- C32 H38 N2 O6 S2 -","2","2","","Iwumene, Ndidi U. N.; Moseley, Daniel. F.; Pullin, Robert D. C.; Willis, Michael C.","Diverse saturated heterocycles from a hydroacylation/conjugate addition cascade","Chemical Science","2022","13","5","1504","1511","10.1039/D1SC06900D","","","0.71073","MoKα","","0.0718","0.0487","","0.1129","0.0989","0.1129","","","","","","0.958","","","","has coordinates","272575","2022-02-04","19:11:33",""
"1566047","12.2921","0.0005","7.393","0.0003","15.8524","0.0005","90","","103.199","0.004","90","","1402.54","0.09","170","","170","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H20 O3 S -","- C14 H20 O3 S -","- C56 H80 O12 S4 -","4","1","","Iwumene, Ndidi U. N.; Moseley, Daniel. F.; Pullin, Robert D. C.; Willis, Michael C.","Diverse saturated heterocycles from a hydroacylation/conjugate addition cascade","Chemical Science","2022","13","5","1504","1511","10.1039/D1SC06900D","","","0.71073","MoKα","","0.0548","0.0385","","0.0962","0.0884","0.0962","","","","","","0.9736","","","","has coordinates","272575","2022-02-04","19:11:33",""
"1566048","23.8127","0.0009","5.6108","0.0002","24.8367","0.001","90","","90.39","0.003","90","","3318.3","0.2","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H20 O3 S -","- C19 H20 O3 S -","- C152 H160 O24 S8 -","8","2","","Iwumene, Ndidi U. N.; Moseley, Daniel. F.; Pullin, Robert D. C.; Willis, Michael C.","Diverse saturated heterocycles from a hydroacylation/conjugate addition cascade","Chemical Science","2022","13","5","1504","1511","10.1039/D1SC06900D","","","0.71073","MoKα","","0.0793","0.0494","","0.104","0.0937","0.104","","","","","","1.0006","","","","has coordinates","272575","2022-02-04","19:11:33",""
"1566049","11.6377","0.0004","19.035","0.0007","18.0198","0.0007","90","","107.936","0.004","90","","3797.8","0.3","170","","170","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H27 N O5 -","- C20 H27 N O5 -","- C160 H216 N8 O40 -","8","2","","Iwumene, Ndidi U. N.; Moseley, Daniel. F.; Pullin, Robert D. C.; Willis, Michael C.","Diverse saturated heterocycles from a hydroacylation/conjugate addition cascade","Chemical Science","2022","13","5","1504","1511","10.1039/D1SC06900D","","","0.71073","MoKα","","0.0819","0.0508","","0.1517","0.1281","0.1517","","","","","","0.9801","","","","has coordinates","272575","2022-02-04","19:11:33",""
"1566079","39.352","0.005","14.1869","0.0016","22.175","0.002","90","","96.411","0.006","90","","12303","2","170","2","170","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","dimer 5,6-membered palladacycle","","- C54.5 H65 Cl5 N12 O8 Pd4 -","- C54.5 H65 Cl5 N12 O8 Pd4 -","- C436 H520 Cl40 N96 O64 Pd32 -","8","1","","Zhang, Shuaizhong; Zhang, Jinquan; Zou, Hongbin","C(sp3)–H oxygenation via alkoxypalladium(ii) species: an update for the mechanism","Chemical Science","2022","13","5","1298","1306","10.1039/D1SC06907A","","","0.71073","MoKα","","0.029","0.0242","","","0.0574","0.0596","","","","","","1.031","","","","has coordinates,has disorder","272571","2022-02-04","19:10:52",""
"1566151","16.6843","0.0011","10.1022","0.0008","17.8126","0.001","90","","90","","90","","3002.3","0.4","173","0.1","173","0.1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C29 H49 B Br N3 -","- C29 H49 B Br N3 -","- C116 H196 B4 Br4 N12 -","4","1","","Guo, Rui; Zhang, Xin; Li, Tong; Li, Qianli; Ruiz, David A.; Liu, Liu Leo; Tung, Chen-Ho; Kong, Lingbing","Unraveling the reactivity of a cationic iminoborane: avenues to unusual boron cations","Chemical Science","2022","13","8","2303","2309","10.1039/D2SC00002D","","x-ray","1.54184","CuKα","","0.0412","0.0365","","","0.094","0.1008","","","","","","1.055","","","","has coordinates,has disorder","273348","2022-03-04","22:06:07",""
"1566152","16.7035","0.001","10.08","0.0006","17.6907","0.0007","90","","90","","90","","2978.6","0.3","173","0.1","173","0.1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C29 H49 B Cl N3 -","- C29 H49 B Cl N3 -","- C116 H196 B4 Cl4 N12 -","4","1","","Guo, Rui; Zhang, Xin; Li, Tong; Li, Qianli; Ruiz, David A.; Liu, Liu Leo; Tung, Chen-Ho; Kong, Lingbing","Unraveling the reactivity of a cationic iminoborane: avenues to unusual boron cations","Chemical Science","2022","13","8","2303","2309","10.1039/D2SC00002D","","x-ray","1.54184","CuKα","","0.0746","0.0594","","","0.1394","0.1488","","","","","","1.028","","","","has coordinates,has disorder","273348","2022-03-04","22:06:07",""
"1566153","18.3035","0.0004","18.6688","0.0005","41.8373","0.0008","90","","90","","90","","14296","0.6","173","0.1","173","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C29 H49 Al B Br3 N6 -","- C29 H49 Al B Br3 N6 -","- C464 H784 Al16 B16 Br48 N96 -","16","2","","Guo, Rui; Zhang, Xin; Li, Tong; Li, Qianli; Ruiz, David A.; Liu, Liu Leo; Tung, Chen-Ho; Kong, Lingbing","Unraveling the reactivity of a cationic iminoborane: avenues to unusual boron cations","Chemical Science","2022","13","8","2303","2309","10.1039/D2SC00002D","","x-ray","1.54184","CuKα","","0.0892","0.0688","","","0.1875","0.2106","","","","","","1.045","","","","has coordinates,has disorder","273348","2022-03-04","22:06:07",""
"1566154","9.5926","0.0002","18.3489","0.0005","22.4133","0.0007","109.017","0.003","98.006","0.002","96.256","0.002","3642.84","0.19","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H98 Al2 B2 Br8 N6 -","- C58 H98 Al2 B2 Br8 N6 -","- C116 H196 Al4 B4 Br16 N12 -","2","1","","Guo, Rui; Zhang, Xin; Li, Tong; Li, Qianli; Ruiz, David A.; Liu, Liu Leo; Tung, Chen-Ho; Kong, Lingbing","Unraveling the reactivity of a cationic iminoborane: avenues to unusual boron cations","Chemical Science","2022","13","8","2303","2309","10.1039/D2SC00002D","","x-ray","1.54184","CuKα","","0.0821","0.0619","","","0.171","0.19","","","","","","1.06","","","","has coordinates,has disorder","273348","2022-03-04","22:06:07",""
"1566155","9.7709","0.0003","20.3965","0.0005","21.6332","0.0007","91.982","0.002","100.812","0.003","98.869","0.002","4175.2","0.2","173","0.1","173","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C35 H57 Al B Br4 N3 -","- C35 H57 Al B Br4 N3 -","- C140 H228 Al4 B4 Br16 N12 -","4","2","","Guo, Rui; Zhang, Xin; Li, Tong; Li, Qianli; Ruiz, David A.; Liu, Liu Leo; Tung, Chen-Ho; Kong, Lingbing","Unraveling the reactivity of a cationic iminoborane: avenues to unusual boron cations","Chemical Science","2022","13","8","2303","2309","10.1039/D2SC00002D","","x-ray","1.54184","CuKα","","0.071","0.052","","","0.1293","0.1452","","","","","","1.044","","","","has coordinates,has disorder","273348","2022-03-04","22:06:07",""
"1566156","10.2658","0.0005","15.817","0.0009","15.9702","0.0011","65.411","0.006","78.295","0.005","80.201","0.004","2298.2","0.3","172.99","0.1","172.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C41 H61 Al B Br4 N3 -","- C41 H61 Al B Br4 N3 -","- C82 H122 Al2 B2 Br8 N6 -","2","1","","Guo, Rui; Zhang, Xin; Li, Tong; Li, Qianli; Ruiz, David A.; Liu, Liu Leo; Tung, Chen-Ho; Kong, Lingbing","Unraveling the reactivity of a cationic iminoborane: avenues to unusual boron cations","Chemical Science","2022","13","8","2303","2309","10.1039/D2SC00002D","","x-ray","1.54184","CuKα","","0.0653","0.0532","","","0.1246","0.1307","","","","","","1.053","","","","has coordinates,has disorder","273348","2022-03-04","22:06:07",""
"1566157","11.9613","0.0004","13.4134","0.0006","15.2453","0.0006","109.98","0.004","104.192","0.003","102.755","0.003","2100.41","0.17","173","0.1","173","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C33 H59 Al B Br4 N5 Si -","- C33 H59 Al B Br4 N5 Si -","- C66 H118 Al2 B2 Br8 N10 Si2 -","2","1","","Guo, Rui; Zhang, Xin; Li, Tong; Li, Qianli; Ruiz, David A.; Liu, Liu Leo; Tung, Chen-Ho; Kong, Lingbing","Unraveling the reactivity of a cationic iminoborane: avenues to unusual boron cations","Chemical Science","2022","13","8","2303","2309","10.1039/D2SC00002D","","x-ray","1.54184","CuKα","","0.0485","0.0397","","","0.109","0.1148","","","","","","1.049","","","","has coordinates,has disorder","273348","2022-03-04","22:06:07",""
"1566158","11.781","0.00019","15.9628","0.0003","41.3531","0.0007","90","","93.4263","0.0016","90","","7762.9","0.2","173","2","173","0.1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C31 H52 Al B Br4 N4 -","- C31 H52 Al B Br4 N4 -","- C248 H416 Al8 B8 Br32 N32 -","8","1","","Guo, Rui; Zhang, Xin; Li, Tong; Li, Qianli; Ruiz, David A.; Liu, Liu Leo; Tung, Chen-Ho; Kong, Lingbing","Unraveling the reactivity of a cationic iminoborane: avenues to unusual boron cations","Chemical Science","2022","13","8","2303","2309","10.1039/D2SC00002D","","x-ray","1.54184","CuKα","","0.0392","0.0344","","","0.0882","0.0908","","","","","","1.037","","","","has coordinates,has disorder","273348","2022-03-04","22:06:07",""
"1566159","12.64878","0.00013","21.8402","0.0002","19.4954","0.0002","90","","106.767","0.0011","90","","5156.68","0.09","173","0.1","173","0.1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C41 H65 Al B Br4 Cl3 N4 O -","- C41 H65 Al B Br4 Cl3 N4 O -","- C164 H260 Al4 B4 Br16 Cl12 N16 O4 -","4","1","","Guo, Rui; Zhang, Xin; Li, Tong; Li, Qianli; Ruiz, David A.; Liu, Liu Leo; Tung, Chen-Ho; Kong, Lingbing","Unraveling the reactivity of a cationic iminoborane: avenues to unusual boron cations","Chemical Science","2022","13","8","2303","2309","10.1039/D2SC00002D","","x-ray","1.54184","CuKα","","0.0649","0.0585","","","0.1555","0.1606","","","","","","1.035","","","","has coordinates,has disorder","273348","2022-03-04","22:06:07",""
"1566160","14.3058","0.0005","14.4769","0.0005","14.7822","0.0005","82.612","0.003","72.27","0.003","89.201","0.003","2890.8","0.18","173","0.1","173","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C54 H77 Al B Br4 N5 -","- C54 H77 Al B Br4 N5 -","- C108 H154 Al2 B2 Br8 N10 -","2","1","","Guo, Rui; Zhang, Xin; Li, Tong; Li, Qianli; Ruiz, David A.; Liu, Liu Leo; Tung, Chen-Ho; Kong, Lingbing","Unraveling the reactivity of a cationic iminoborane: avenues to unusual boron cations","Chemical Science","2022","13","8","2303","2309","10.1039/D2SC00002D","","x-ray","1.54184","CuKα","","0.0691","0.0457","","","0.1105","0.1185","","","","","","1.045","","","","has coordinates,has disorder","273348","2022-03-04","22:06:07",""
"1566188","5.862","0.003","7.712","0.004","14.907","0.008","90","","90","","90","","673.9","0.6","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H7 N O2 -","- C8 H7 N O2 -","- C32 H28 N4 O8 -","4","1","","Sasikumar, Devika; Vinod, Kavya; Sunny, Jeswin; Hariharan, Mahesh","Exciton interactions in helical crystals of a hydrogen-bonded eumelanin monomer","Chemical Science","2022","13","8","2331","2338","10.1039/D1SC06755A","","","0.71073","MoKα","","0.0689","0.0471","","","0.1044","0.1155","","","","","","1.023","","","","has coordinates","273351","2022-03-04","22:07:06",""
"1566247","6.5937","0.0006","22.424","0.002","10.7128","0.0011","90","","97.951","0.003","90","","1568.7","0.3","100","","100","","","","","","","","see text","5","P 1 21 1","P 2yb","4","","","","- C15 H17 N3 O5 S -","- C15 H17 N3 O5 S -","- C60 H68 N12 O20 S4 -","4","2","","Rigotti, Thomas; Schwinger, Daniel P.; Graßl, Raphaela; Jandl, Christian; Bach, Thorsten","Enantioselective crossed intramolecular [2+2] photocycloaddition reactions mediated by a chiral chelating Lewis acid","Chemical Science","2022","13","8","2378","2384","10.1039/D2SC00113F","","x-ray","0.71073","MoKα","","0.0309","0.03","","","0.0789","0.0796","","","","","","1.06","","","","has coordinates","273347","2022-03-04","22:05:31",""
"1566266","7.5832","0.0001","15.8833","0.0001","10.5856","0.0001","90","","104.429","0.001","90","","1234.78","0.02","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H23 N3 O7 S -","- C25 H23 N3 O7 S -","- C50 H46 N6 O14 S2 -","2","1","","Huang, Yao; Zou, Suchen; Yu, Bangkui; Yan, Xuyang; Liu, Song; Huang, Hanmin","Highly regioselective and diastereodivergent aminomethylative annulation of dienyl alcohols enabled by a hydrogen-bonding assisting effect","Chemical Science","2022","13","8","2317","2323","10.1039/D1SC06479G","","x-ray","1.54184","CuKα","","0.0383","0.0379","","","0.0962","0.0976","","","","","","0.822","","","","has coordinates","273346","2022-03-04","22:05:18",""
"1566267","7.2994","0.0002","8.0887","0.0003","21.2887","0.0008","91.614","0.003","94.807","0.002","100.145","0.002","1231.76","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H21 N3 O7 S -","- C25 H22 N3 O7 S -","- C50 H44 N6 O14 S2 -","2","1","","Huang, Yao; Zou, Suchen; Yu, Bangkui; Yan, Xuyang; Liu, Song; Huang, Hanmin","Highly regioselective and diastereodivergent aminomethylative annulation of dienyl alcohols enabled by a hydrogen-bonding assisting effect","Chemical Science","2022","13","8","2317","2323","10.1039/D1SC06479G","","","1.54184","CuKα","","0.0629","0.0584","","","0.1702","0.1764","","","","","","1.05","","","","has coordinates","273346","2022-03-04","22:05:18",""
"1566268","14.60983","0.00019","31.1413","0.0005","10.11618","0.00015","90","","91.553","0.0012","90","","4600.86","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 N2 O5 S -","- C25 H24 N2 O5 S -","- C200 H192 N16 O40 S8 -","8","2","","Huang, Yao; Zou, Suchen; Yu, Bangkui; Yan, Xuyang; Liu, Song; Huang, Hanmin","Highly regioselective and diastereodivergent aminomethylative annulation of dienyl alcohols enabled by a hydrogen-bonding assisting effect","Chemical Science","2022","13","8","2317","2323","10.1039/D1SC06479G","","","1.54184","CuKα","","0.0792","0.0591","","","0.2117","0.248","","","","","","0.954","","","","has coordinates","273346","2022-03-04","22:05:18",""
"1566274","11.3424","0.0002","25.8718","0.0006","11.9601","0.0003","90","","90","","90","","3509.67","0.13","293","","293","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C24 H18 Fe O2 -","- C24 H18 Fe O2 -","- C192 H144 Fe8 O16 -","8","0.5","","Kunde, Tom; Pausch, Tobias; Guńka, Piotr A; Krzyżanowski, Maurycy; Kasprzak, Artur; Schmidt, Bernd M.","Fast, solvent-free synthesis of ferrocene-containing organic cages <i>via</i> dynamic covalent chemistry in the solid state.","Chemical science","2022","13","10","2877","2883","10.1039/d1sc06372c","","x-ray","0.71073","MoKα","","0.0148","0.0138","","","0.0312","0.0317","","","","","","1.0697","","","","has coordinates","274966","2022-05-05","20:26:49",""
"1566275","13.1378","0.0003","16.3059","0.0003","19.0267","0.0003","97.399","0.002","93.732","0.002","113.532","0.002","3675.33","0.14","100","0.1","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C69 H75 Cl9 Fe3 N6 O0.39 -","- C69 H75 Cl9 Fe3 N6 O0.391 -","- C138 H150 Cl18 Fe6 N12 O0.782 -","2","1","","Kunde, Tom; Pausch, Tobias; Guńka, Piotr A; Krzyżanowski, Maurycy; Kasprzak, Artur; Schmidt, Bernd M.","Fast, solvent-free synthesis of ferrocene-containing organic cages <i>via</i> dynamic covalent chemistry in the solid state.","Chemical science","2022","13","10","2877","2883","10.1039/d1sc06372c","","","1.54184","CuKα","","0.0823","0.0611","","","0.166","0.1822","","","","","","1.085","","","","has coordinates,has disorder","274966","2022-05-05","20:26:50",""
"1566276","16.0318","0.0003","17.0394","0.0002","21.0388","0.0004","102.395","0.001","99.882","0.002","91.283","0.001","5519.49","0.17","100.01","0.1","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C113 H114 Cl18 Fe3 N6 -","- C113 H114 Cl18 Fe3 N6 -","- C226 H228 Cl36 Fe6 N12 -","2","1","","Kunde, Tom; Pausch, Tobias; Guńka, Piotr A; Krzyżanowski, Maurycy; Kasprzak, Artur; Schmidt, Bernd M.","Fast, solvent-free synthesis of ferrocene-containing organic cages <i>via</i> dynamic covalent chemistry in the solid state.","Chemical science","2022","13","10","2877","2883","10.1039/d1sc06372c","","","0.71073","MoKα","","0.0844","0.0652","","","0.1848","0.201","","","","","","1.022","","","","has coordinates","274966","2022-05-05","20:26:50",""
"1566277","10.8575","0.0002","16.0366","0.0002","19.8722","0.0003","107.932","0.001","90.985","0.002","106.814","0.001","3129.76","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C75 H58 Fe3 N8 O0.5 -","- C75 H58 Fe3 N8 O0.5 -","- C150 H116 Fe6 N16 O -","2","1","","Kunde, Tom; Pausch, Tobias; Guńka, Piotr A; Krzyżanowski, Maurycy; Kasprzak, Artur; Schmidt, Bernd M.","Fast, solvent-free synthesis of ferrocene-containing organic cages <i>via</i> dynamic covalent chemistry in the solid state.","Chemical science","2022","13","10","2877","2883","10.1039/d1sc06372c","","x-ray","0.71073","MoKα","","0.0602","0.0414","","","0.1062","0.1178","","","","","","1.03","","","","has coordinates,has disorder","274966","2022-05-05","20:26:50",""
"1566278","29.7978","0.0004","29.7978","0.0004","27.541","0.0019","90","","90","","90","","24453.9","1.7","85","2","85","2","","","","","","","","8","P 4/n c c :2","-P 4a 2ac","130","","","","- C187 H120 F9 N62 Nd O57.5 S3 Zn16 -","- C185 H120 F3 N56 Nd O51.5 S Zn16 -","- C740 H480 F12 N224 Nd4 O206 S4 Zn64 -","4","0.25","","Eliseeva, Svetlana V.; Nguyen, Tu N.; Kampf, Jeff W.; Trivedi, Evan R.; Pecoraro, Vincent L.; Petoud, Stéphane","Tuning the photophysical properties of lanthanide(iii)/zinc(ii) 'encapsulated sandwich' metallacrowns emitting in the near-infrared range.","Chemical science","2022","13","10","2919","2931","10.1039/d1sc06769a","","","1.54184","CuKα","","0.0572","0.055","","","0.1902","0.1943","","","","","","1.05","","","","has coordinates,has disorder","274968","2022-05-05","20:28:05",""
"1566279","30.0778","0.0004","30.0778","0.0004","26.9277","0.0019","90","","90","","90","","24360.8","1.8","85","2","85","2","","","","","","","","8","P 4/n c c :2","-P 4a 2ac","130","","","","- C187 H124.5 F9 N56 O47 S3 Yb Zn16 -","- C185 H120 F3 N56 O44 S Yb Zn16 -","- C740 H480 F12 N224 O176 S4 Yb4 Zn64 -","4","0.25","","Eliseeva, Svetlana V.; Nguyen, Tu N.; Kampf, Jeff W.; Trivedi, Evan R.; Pecoraro, Vincent L.; Petoud, Stéphane","Tuning the photophysical properties of lanthanide(iii)/zinc(ii) 'encapsulated sandwich' metallacrowns emitting in the near-infrared range.","Chemical science","2022","13","10","2919","2931","10.1039/d1sc06769a","","","1.54178","CuKα","","0.0768","0.0687","","","0.2087","0.2193","","","","","","1.045","","","","has coordinates,has disorder","274968","2022-05-05","20:28:05",""
"1566308","20.883","0.011","8.704","0.004","19.093","0.007","90","","123.59","0.03","90","","2891","2","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C37 H32 B P S -","- C37 H32 B P S -","- C148 H128 B4 P4 S4 -","4","1","","Fuchs, Sonja; Jayaraman, Arumugam; Krummenacher, Ivo; Haley, Laura; Baštovanović, Marta; Fest, Maximilian; Radacki, Krzysztof; Helten, Holger; Braunschweig, Holger","Diboramacrocycles: reversible borole dimerisation-dissociation systems.","Chemical science","2022","13","10","2932","2938","10.1039/d1sc06908j","","","0.71073","MoKα","","0.0765","0.0526","","","0.1124","0.1255","","","","","","1.048","","","","has coordinates,has disorder","274969","2022-05-05","20:28:30",""
"1566309","8.8","0.005","10.843","0.006","17.829","0.01","90","","99.74","0.02","90","","1676.7","1.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H16 B N S -","- C21 H16 B N S -","- C84 H64 B4 N4 S4 -","4","1","","Fuchs, Sonja; Jayaraman, Arumugam; Krummenacher, Ivo; Haley, Laura; Baštovanović, Marta; Fest, Maximilian; Radacki, Krzysztof; Helten, Holger; Braunschweig, Holger","Diboramacrocycles: reversible borole dimerisation-dissociation systems.","Chemical science","2022","13","10","2932","2938","10.1039/d1sc06908j","","","0.71073","MoKα","","0.0763","0.0691","","","0.1525","0.1551","","","","","","1.271","","","","has coordinates,has disorder","274969","2022-05-05","20:28:31",""
"1566310","10.278","0.003","12.065","0.003","16.702","0.004","92.946","0.009","107.906","0.008","114.158","0.016","1760.3","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C44.25 H33.51 B2 N3 S2 -","- C44.252 H33.504 B2 N3 S2 -","- C88.504 H67.008 B4 N6 S4 -","2","1","","Fuchs, Sonja; Jayaraman, Arumugam; Krummenacher, Ivo; Haley, Laura; Baštovanović, Marta; Fest, Maximilian; Radacki, Krzysztof; Helten, Holger; Braunschweig, Holger","Diboramacrocycles: reversible borole dimerisation-dissociation systems.","Chemical science","2022","13","10","2932","2938","10.1039/d1sc06908j","","","0.71073","MoKα","","0.0504","0.0381","","","0.089","0.0965","","","","","","1.024","","","","has coordinates,has disorder","274969","2022-05-05","20:28:31",""
"1566311","9.9577","0.0013","12.2845","0.0016","16.579","0.005","100.823","0.007","90.407","0.008","112.635","0.01","1831.5","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H37 B2 N3 S2 Si -","- C41 H37 B2 N3 S2 Si -","- C82 H74 B4 N6 S4 Si2 -","2","1","","Fuchs, Sonja; Jayaraman, Arumugam; Krummenacher, Ivo; Haley, Laura; Baštovanović, Marta; Fest, Maximilian; Radacki, Krzysztof; Helten, Holger; Braunschweig, Holger","Diboramacrocycles: reversible borole dimerisation-dissociation systems.","Chemical science","2022","13","10","2932","2938","10.1039/d1sc06908j","","","0.71073","MoKα","","0.0386","0.0312","","","0.0738","0.0779","","","","","","1.036","","","","has coordinates","274969","2022-05-05","20:28:31",""
"1566312","14.644","0.007","11.056","0.004","17.829","0.008","90","","94.9","0.02","90","","2876","2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C36 H30 B2 S2 -","- C36 H30 B2 S2 -","- C144 H120 B8 S8 -","4","0.5","","Fuchs, Sonja; Jayaraman, Arumugam; Krummenacher, Ivo; Haley, Laura; Baštovanović, Marta; Fest, Maximilian; Radacki, Krzysztof; Helten, Holger; Braunschweig, Holger","Diboramacrocycles: reversible borole dimerisation-dissociation systems.","Chemical science","2022","13","10","2932","2938","10.1039/d1sc06908j","","","0.71073","MoKα","","0.1042","0.0585","","","0.1294","0.149","","","","","","1.038","","","","has coordinates","274969","2022-05-05","20:28:31",""
"1566313","11.4201","0.0001","17.9796","0.0001","12.1277","0.0001","90","","90.12","0.001","90","","2490.16","0.03","100","2","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H22 B2 S2 -","- C32 H22 B2 S2 -","- C128 H88 B8 S8 -","4","2","","Fuchs, Sonja; Jayaraman, Arumugam; Krummenacher, Ivo; Haley, Laura; Baštovanović, Marta; Fest, Maximilian; Radacki, Krzysztof; Helten, Holger; Braunschweig, Holger","Diboramacrocycles: reversible borole dimerisation-dissociation systems.","Chemical science","2022","13","10","2932","2938","10.1039/d1sc06908j","","","1.54184","CuKα","","0.0305","0.0305","","","0.0819","0.0819","","","","","","1.022","","","","has coordinates","274969","2022-05-05","20:28:31",""
"1566314","13.289","0.006","30.28","0.016","7.763","0.005","90","","93.3","0.02","90","","3119","3","99","2","99","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 B S -","- C19 H17 B S -","- C152 H136 B8 S8 -","8","2","","Fuchs, Sonja; Jayaraman, Arumugam; Krummenacher, Ivo; Haley, Laura; Baštovanović, Marta; Fest, Maximilian; Radacki, Krzysztof; Helten, Holger; Braunschweig, Holger","Diboramacrocycles: reversible borole dimerisation-dissociation systems.","Chemical science","2022","13","10","2932","2938","10.1039/d1sc06908j","","","0.71073","MoKα","","0.0821","0.0602","","","0.1139","0.1211","","","","","","1.174","","","","has coordinates,has disorder","274969","2022-05-05","20:28:31",""
"1566315","13.299","0.003","18.859","0.004","13.574","0.003","90","","112.808","0.01","90","","3138.2","1.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H26 B2 N4 O2 S2 -","- C38 H26 B2 N4 O2 S2 -","- C152 H104 B8 N16 O8 S8 -","4","1","","Fuchs, Sonja; Jayaraman, Arumugam; Krummenacher, Ivo; Haley, Laura; Baštovanović, Marta; Fest, Maximilian; Radacki, Krzysztof; Helten, Holger; Braunschweig, Holger","Diboramacrocycles: reversible borole dimerisation-dissociation systems.","Chemical science","2022","13","10","2932","2938","10.1039/d1sc06908j","","","0.71073","MoKα","","0.0875","0.0514","","","0.1197","0.1392","","","","","","1.062","","","","has coordinates","274969","2022-05-05","20:28:31",""
"1566331","8.4222","0.0001","8.6086","0.0001","15.573","0.0002","90","","93.674","0.001","90","","1126.77","0.02","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H29 N O6 -","- C24 H29 N O6 -","- C48 H58 N2 O12 -","2","1","","You, Shiqi; Ruan, Mengyao; Lu, Cuifen; Liu, Li; Weng, Yue; Yang, Guichun; Wang, Shengchun; Alhumade, Hesham; Lei, Aiwen; Gao, Meng","Paired electrolysis enabled annulation for the quinolyl-modification of bioactive molecules","Chemical Science","2022","13","8","2310","2316","10.1039/D1SC06757E","","x-ray","1.54184","CuKα","","0.0284","0.0278","","","0.0717","0.0723","","","","","","1.04","","","","has coordinates","273349","2022-03-04","22:06:18",""
"1566332","27.8416","0.0011","13.6571","0.0005","25.0139","0.0008","90","","92.128","0.003","90","","9504.6","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C68 H146 Cr Mo6 N3 O32 -","- C68 H146 Cr Mo6 N3 O32 -","- C272 H584 Cr4 Mo24 N12 O128 -","4","1","","Salazar Marcano, David E.; Moussawi, Mhamad Aly; Anyushin, Alexander V.; Lentink, Sarah; Van Meervelt, Luc; Ivanović-Burmazović, Ivana; Parac-Vogt, Tatjana N","Versatile post-functionalisation strategy for the formation of modular organic-inorganic polyoxometalate hybrids.","Chemical science","2022","13","10","2891","2899","10.1039/d1sc06326j","","","0.71073","MoKα","","0.1172","0.085","","","0.165","0.1847","","","","","","1.169","","","","has coordinates,has disorder","274963","2022-05-05","20:25:40",""
"1566333","13.052","0.0012","13.4949","0.0009","20.5929","0.001","90","","104.803","0.008","90","","3506.8","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H55 N O13.5 V3 -","- C26 H55 N O13.5 V3 -","- C104 H220 N4 O54 V12 -","4","1","","Salazar Marcano, David E.; Moussawi, Mhamad Aly; Anyushin, Alexander V.; Lentink, Sarah; Van Meervelt, Luc; Ivanović-Burmazović, Ivana; Parac-Vogt, Tatjana N","Versatile post-functionalisation strategy for the formation of modular organic-inorganic polyoxometalate hybrids.","Chemical science","2022","13","10","2891","2899","10.1039/d1sc06326j","","x-ray","0.71073","MoKα","","0.1287","0.0857","","","0.2097","0.246","","","","","","1.054","","","","has coordinates,has disorder","274963","2022-05-05","20:25:40",""
"1566334","23.1838","0.0012","26.0619","0.0011","17.536","0.0007","90","","101.639","0.005","90","","10377.6","0.8","93","2","93","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34.67 H59 B N2 Ni P2 -","- C34.6667 H59 B N2 Ni P2 -","- C416 H708 B12 N24 Ni12 P24 -","12","3","","Deziel, Anthony P.; Espinosa, Matthew R.; Pavlovic, Ljiljana; Charboneau, David J.; Hazari, Nilay; Hopmann, Kathrin H.; Mercado, Brandon Q.","Ligand and solvent effects on CO2 insertion into group 10 metal alkyl bonds","Chemical Science","2022","13","8","2391","2404","10.1039/D1SC06346D","","","0.71073","MoKα","","0.1464","0.0945","","","0.2577","0.3333","","","","","","1.026","","","","has coordinates","273350","2022-03-04","22:06:57",""
"1566335","9.5911","0.0005","9.8051","0.0006","19.1276","0.0007","90.444","0.004","94.813","0.004","117.164","0.005","1592.59","0.16","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H50 P2 Pd Si -","- C30 H50 P2 Pd Si -","- C60 H100 P4 Pd2 Si2 -","2","1","","Deziel, Anthony P.; Espinosa, Matthew R.; Pavlovic, Ljiljana; Charboneau, David J.; Hazari, Nilay; Hopmann, Kathrin H.; Mercado, Brandon Q.","Ligand and solvent effects on CO2 insertion into group 10 metal alkyl bonds","Chemical Science","2022","13","8","2391","2404","10.1039/D1SC06346D","","","1.54184","CuKα","","0.0405","0.0314","","","0.0696","0.074","","","","","","1.03","","","","has coordinates","273350","2022-03-04","22:06:58",""
"1566336","10.5516","0.0006","11.9228","0.0009","13.7755","0.0012","103.985","0.007","111.062","0.007","90.654","0.005","1560","0.2","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H94 B2 N6 Ni2 P4 -","- C50 H94 B2 N6 Ni2 P4 -","- C50 H94 B2 N6 Ni2 P4 -","1","0.5","","Deziel, Anthony P.; Espinosa, Matthew R.; Pavlovic, Ljiljana; Charboneau, David J.; Hazari, Nilay; Hopmann, Kathrin H.; Mercado, Brandon Q.","Ligand and solvent effects on CO2 insertion into group 10 metal alkyl bonds","Chemical Science","2022","13","8","2391","2404","10.1039/D1SC06346D","","","1.54184","CuKα","","0.1188","0.0794","","","0.2006","0.2239","","","","","","1.041","","","","has coordinates,has disorder","273350","2022-03-04","22:06:58",""
"1566337","12.5308","0.0004","15.0351","0.0004","15.989","0.0005","90","","103.614","0.003","90","","2927.72","0.16","93","2","93","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H47 B N2 O2 P2 Pd -","- C26 H47 B N2 O2 P2 Pd -","- C104 H188 B4 N8 O8 P8 Pd4 -","4","1","","Deziel, Anthony P.; Espinosa, Matthew R.; Pavlovic, Ljiljana; Charboneau, David J.; Hazari, Nilay; Hopmann, Kathrin H.; Mercado, Brandon Q.","Ligand and solvent effects on CO2 insertion into group 10 metal alkyl bonds","Chemical Science","2022","13","8","2391","2404","10.1039/D1SC06346D","","","0.71073","MoKα","","0.0402","0.029","","","0.0605","0.0643","","","","","","1.067","","","","has coordinates","273350","2022-03-04","22:06:58",""
"1566338","26.0265","0.0008","26.0265","0.0008","26.0801","0.0008","90","","90","","120","","15299.3","0.8","93","2","93","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C32 H52 B Cl N2 Ni P2 -","- C32 H52 B Cl N2 Ni P2 -","- C576 H936 B18 Cl18 N36 Ni18 P36 -","18","0.5","","Deziel, Anthony P.; Espinosa, Matthew R.; Pavlovic, Ljiljana; Charboneau, David J.; Hazari, Nilay; Hopmann, Kathrin H.; Mercado, Brandon Q.","Ligand and solvent effects on CO2 insertion into group 10 metal alkyl bonds","Chemical Science","2022","13","8","2391","2404","10.1039/D1SC06346D","","","1.54184","CuKα","","0.0893","0.0658","","","0.1396","0.1546","","","","","","1.14","","","","has coordinates","273350","2022-03-04","22:06:58",""
"1566339","11.9139","0.0001","14.4308","0.0002","32.1655","0.0005","90","","90","","90","","5530.12","0.12","93","2","93","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H47 B N2 P2 Pd -","- C25 H47 B N2 P2 Pd -","- C200 H376 B8 N16 P16 Pd8 -","8","1","","Deziel, Anthony P.; Espinosa, Matthew R.; Pavlovic, Ljiljana; Charboneau, David J.; Hazari, Nilay; Hopmann, Kathrin H.; Mercado, Brandon Q.","Ligand and solvent effects on CO2 insertion into group 10 metal alkyl bonds","Chemical Science","2022","13","8","2391","2404","10.1039/D1SC06346D","","","1.54184","CuKα","","0.0408","0.0364","","","0.0917","0.0946","","","","","","1.043","","","","has coordinates","273350","2022-03-04","22:06:58",""
"1566346","12.5628","0.001","13.3264","0.0011","15.5838","0.0013","90","","106.231","0.002","90","","2505","0.4","183","2","183","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H77 B2 Na O6 -","- C52 H77 B2 Na O6 -","- C104 H154 B4 Na2 O12 -","2","0.5","","Mao, Xiaofeng; Zhang, Jie; Lu, Zhenpin; Xie, Zuowei","A (μ-hydrido)diborane(4) anion and its coordination chemistry with coinage metals.","Chemical science","2022","13","10","3009","3013","10.1039/d2sc00318j","","","0.71073","MoKα","","0.0847","0.0711","","","0.2001","0.2167","","","","","","1.048","","","","has coordinates","274967","2022-05-05","20:27:19",""
"1566347","13.312","0.0012","19.989","0.002","17.2387","0.0017","90","","96.574","0.003","90","","4556.9","0.8","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C55 H65 B2 Cu N2 -","- C55 H65 B2 Cu N2 -","- C220 H260 B8 Cu4 N8 -","4","0.5","","Mao, Xiaofeng; Zhang, Jie; Lu, Zhenpin; Xie, Zuowei","A (μ-hydrido)diborane(4) anion and its coordination chemistry with coinage metals.","Chemical science","2022","13","10","3009","3013","10.1039/d2sc00318j","","","0.71073","MoKα","","0.0674","0.0497","","","0.1254","0.1367","","","","","","1.032","","","","has coordinates","274967","2022-05-05","20:27:19",""
"1566348","13.3073","0.0013","20.5224","0.0019","17.1012","0.0015","90","","96.418","0.003","90","","4641","0.7","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C55 H65 Ag B2 N2 -","- C55 H65 Ag B2 N2 -","- C220 H260 Ag4 B8 N8 -","4","0.5","","Mao, Xiaofeng; Zhang, Jie; Lu, Zhenpin; Xie, Zuowei","A (μ-hydrido)diborane(4) anion and its coordination chemistry with coinage metals.","Chemical science","2022","13","10","3009","3013","10.1039/d2sc00318j","","","0.71073","MoKα","","0.0517","0.0465","","","0.1149","0.1187","","","","","","1.073","","","","has coordinates","274967","2022-05-05","20:27:19",""
"1566349","21.161","0.004","17.679","0.004","25.912","0.005","90","","90","","90","","9694","3","177","2","177","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C55 H65 Au B2 N2 -","- C55 H65 Au B2 N2 -","- C440 H520 Au8 B16 N16 -","8","1","","Mao, Xiaofeng; Zhang, Jie; Lu, Zhenpin; Xie, Zuowei","A (μ-hydrido)diborane(4) anion and its coordination chemistry with coinage metals.","Chemical science","2022","13","10","3009","3013","10.1039/d2sc00318j","","","0.71073","MoKα","","0.0469","0.0346","","","0.067","0.0804","","","","","","1.119","","","","has coordinates","274967","2022-05-05","20:27:19",""
"1566369","9.16551","0.00016","10.4822","0.0002","17.5734","0.0004","90","","90","","90","","1688.36","0.06","293","0.02","293","0.02","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 O3 -","- C19 H24 O3 -","- C76 H96 O12 -","4","1","","Wang, Jianhua; Li, Xiaoxun","Asymmetric β-arylation of cyclopropanols enabled by photoredox and nickel dual catalysis.","Chemical science","2022","13","10","3020","3026","10.1039/d1sc07237d","","x-ray","1.54184","CuKα","","0.0422","0.0396","","","0.1004","0.1025","","","","","","1.098","","","","has coordinates","274965","2022-05-05","20:26:27",""
"1566406","5.1224","0.0002","8.268","0.0003","24.1637","0.001","90","","90","","90","","1023.38","0.07","110","","110","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H11 Cl F N O2 -","- C10 H11 Cl F N O2 -","- C40 H44 Cl4 F4 N4 O8 -","4","1","","Yamane, Daiki; Onitsuka, Satsuki; Re, Suyong; Isogai, Hikaru; Hamada, Rui; Hiramoto, Tadanari; Kawanishi, Eiji; Mizuguchi, Kenji; Shindo, Naoya; Ojida, Akio","Selective covalent targeting of SARS-CoV-2 main protease by enantiopure chlorofluoroacetamide.","Chemical science","2022","13","10","3027","3034","10.1039/d1sc06596c","","x-ray","0.71073","MoKα","","0.0257","0.0247","","","0.0593","0.0598","","","","","","1.049","","","","has coordinates","274964","2022-05-05","20:26:19",""
"1566407","9.4276","0.0003","19.5575","0.0005","50.822","0.002","90","","93.634","0.004","90","","9351.7","0.5","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H18 Cl F7 N4 O2 S -","- C22 H18 Cl F7 N4 O2 S -","- C352 H288 Cl16 F112 N64 O32 S16 -","16","4","","Yamane, Daiki; Onitsuka, Satsuki; Re, Suyong; Isogai, Hikaru; Hamada, Rui; Hiramoto, Tadanari; Kawanishi, Eiji; Mizuguchi, Kenji; Shindo, Naoya; Ojida, Akio","Selective covalent targeting of SARS-CoV-2 main protease by enantiopure chlorofluoroacetamide.","Chemical science","2022","13","10","3027","3034","10.1039/d1sc06596c","","x-ray","0.71073","MoKα","","0.1739","0.1375","","","0.3251","0.3445","","","","","","1.1828","","","","has coordinates,has disorder","274964","2022-05-05","20:26:19",""
"1566739","6.562","0.0008","14.232","0.0017","14.4563","0.0019","90","","90","","90","","1350.1","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H15 N O2 -","- C17 H15 N O2 -","- C68 H60 N4 O8 -","4","1","","Kim, Alexia N.; Ngamnithiporn, Aurapat; Bartberger, Michael D.; Stoltz, Brian M.","Iridium-catalyzed asymmetric trans-selective hydrogenation of 1,3-disubstituted isoquinolines","Chemical Science","2022","13","11","3227","3232","10.1039/D1SC06729J","","","1.54178","CuKα","","0.0317","0.0314","","","0.0806","0.0807","","","","","","1.106","","","","has coordinates","274302","2022-04-04","07:43:31",""
"1566851","7.2488","0.0009","10.7508","0.0014","17.638","0.002","90","","90","","90","","1374.5","0.3","296.15","","296.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H17 N2 O P -","- C14 H17 N2 O P -","- C56 H68 N8 O4 P4 -","4","1","","Zhang, Ying; Yuan, Jia; Huang, Guanglong; Yu, Hong; Liu, Jinpeng; Chen, Jian; Meng, Sixuan; Zhong, Jian-Ji; Dang, Li; Yu, Guang-Ao; Che, Chi-Ming","Direct visible-light-induced synthesis of P-stereogenic phosphine oxides under air conditions.","Chemical science","2022","13","22","6519","6524","10.1039/d2sc00036a","","","0.71073","MoKα","","0.0366","0.0339","","","0.0863","0.0887","","","","","","1.094","","","","has coordinates","276598","2022-07-06","07:57:38",""
"1566905","20.5713","0.001","15.332","0.0004","21.6572","0.0008","90","","96.891","0.004","90","","6781.3","0.5","100.01","0.12","100.01","0.12","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C64 H50 N30 O15 Zn6 -","- C64 H50 N30 O15 Zn6 -","- C128 H100 N60 O30 Zn12 -","2","0.5","","Wei, Yu-Bai; Luo, Dong; Xiong, Xiao; Huang, Yong-Liang; Xie, Mo; Lu, Weigang; Li, Dan","Biomimetic mimicry of formaldehyde-induced DNA–protein crosslinks in the confined space of a metal–organic framework","Chemical Science","2022","13","17","4813","4820","10.1039/D2SC00188H","","","1.54184","CuKα","","0.1781","0.1114","","","0.2984","0.3512","","","","","","0.965","","","","has coordinates,has disorder","274889","2022-05-04","21:41:17",""
"1566906","20.7927","0.0005","15.218","0.0002","21.7299","0.0005","90","","93.52","0.002","90","","6862.9","0.2","100","0.14","100","0.14","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C66 H50 N30 O15 Zn6 -","- C66 H50 N30 O15 Zn6 -","- C132 H100 N60 O30 Zn12 -","2","0.5","","Wei, Yu-Bai; Luo, Dong; Xiong, Xiao; Huang, Yong-Liang; Xie, Mo; Lu, Weigang; Li, Dan","Biomimetic mimicry of formaldehyde-induced DNA–protein crosslinks in the confined space of a metal–organic framework","Chemical Science","2022","13","17","4813","4820","10.1039/D2SC00188H","","","1.54184","CuKα","","0.1408","0.1002","","","0.274","0.3142","","","","","","0.974","","","","has coordinates,has disorder","274889","2022-05-04","21:41:18",""
"1566907","20.6916","0.0003","15.2813","0.0002","21.6745","0.0003","90","","92.481","0.001","90","","6846.93","0.16","100","0.2","100","0.2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C67 H50 N30 O15 Zn6 -","- C67 H50 N30 O15 Zn6 -","- C134 H100 N60 O30 Zn12 -","2","0.5","","Wei, Yu-Bai; Luo, Dong; Xiong, Xiao; Huang, Yong-Liang; Xie, Mo; Lu, Weigang; Li, Dan","Biomimetic mimicry of formaldehyde-induced DNA–protein crosslinks in the confined space of a metal–organic framework","Chemical Science","2022","13","17","4813","4820","10.1039/D2SC00188H","","","1.54184","CuKα","","0.1091","0.0929","","","0.2496","0.2652","","","","","","1.057","","","","has coordinates,has disorder","274889","2022-05-04","21:41:18",""
"1566908","20.5389","0.0019","15.2128","0.0005","21.6422","0.0009","90","","94.526","0.006","90","","6741.1","0.7","100","0.18","100","0.18","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C66 H50 N30 O15 Zn6 -","- C66 H50 N30 O15 Zn6 -","- C132 H100 N60 O30 Zn12 -","2","0.5","","Wei, Yu-Bai; Luo, Dong; Xiong, Xiao; Huang, Yong-Liang; Xie, Mo; Lu, Weigang; Li, Dan","Biomimetic mimicry of formaldehyde-induced DNA–protein crosslinks in the confined space of a metal–organic framework","Chemical Science","2022","13","17","4813","4820","10.1039/D2SC00188H","","x-ray","1.54184","CuKα","","0.1574","0.1162","","","0.2985","0.3476","","","","","","1.058","","","","has coordinates,has disorder","274889","2022-05-04","21:41:19",""
"1566909","20.7798","0.0004","15.2345","0.0002","21.6564","0.0004","90","","93.144","0.002","90","","6845.4","0.2","100","0.1","100","0.1","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C66 H50 N30 O15 Zn6 -","- C66 H50 N30 O15 Zn6 -","- C132 H100 N60 O30 Zn12 -","2","0.5","","Wei, Yu-Bai; Luo, Dong; Xiong, Xiao; Huang, Yong-Liang; Xie, Mo; Lu, Weigang; Li, Dan","Biomimetic mimicry of formaldehyde-induced DNA–protein crosslinks in the confined space of a metal–organic framework","Chemical Science","2022","13","17","4813","4820","10.1039/D2SC00188H","","","1.54184","CuKα","","0.1126","0.0893","","","0.2611","0.2925","","","","","","1.019","","","","has coordinates,has disorder","274889","2022-05-04","21:41:19",""
"1566932","18.0783","0.0008","19.0664","0.0008","27.2154","0.0011","90","","90","","90","","9380.8","0.7","125","2","125","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","[Cu(COD)2]BArF24","[Cu(COD)2]BArF24","","- C48 H36 B Cu F24 -","- C48 H36 B Cu F24.009 -","- C384 H288 B8 Cu8 F192.072 -","8","1","","Graziano, Brendan J.; Scott, Thais R.; Vollmer, Matthew V.; Dorantes, Michael J.; Young, Jr, Victor G; Bill, Eckhard; Gagliardi, Laura; Lu, Connie C.","One-electron bonds in copper-aluminum and copper-gallium complexes.","Chemical science","2022","13","22","6525","6531","10.1039/d2sc01998a","","","0.71073","MoKα","","0.1053","0.0682","","","0.181","0.2119","","","","","","1.034","","","","has coordinates,has disorder","276601","2022-07-06","07:58:49",""
"1566933","14.9684","0.0006","25.1887","0.0009","19.9836","0.0007","90","","95.937","0.001","90","","7494.1","0.5","125","2","125","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","[H3L(Cu)]BArF24","","","- C71 H75 B Cu F24 N4 P3 -","- C71 H75 B Cu F24 N4 P3 -","- C284 H300 B4 Cu4 F96 N16 P12 -","4","1","","Graziano, Brendan J.; Scott, Thais R.; Vollmer, Matthew V.; Dorantes, Michael J.; Young, Jr, Victor G; Bill, Eckhard; Gagliardi, Laura; Lu, Connie C.","One-electron bonds in copper-aluminum and copper-gallium complexes.","Chemical science","2022","13","22","6525","6531","10.1039/d2sc01998a","","","0.71073","MoKα","","0.064","0.0434","","","0.1078","0.123","","","","","","1.035","","","","has coordinates,has disorder","276601","2022-07-06","07:58:50",""
"1566934","11.2148","0.0007","14.0921","0.001","14.3396","0.0009","70.906","0.002","82.68","0.002","80.584","0.002","2106","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","LAlCu","","","- C41 H65 Al Cu N4 O0.5 P3 -","- C41 H65 Al Cu N4 O0.5 P3 -","- C82 H130 Al2 Cu2 N8 O P6 -","2","1","","Graziano, Brendan J.; Scott, Thais R.; Vollmer, Matthew V.; Dorantes, Michael J.; Young, Jr, Victor G; Bill, Eckhard; Gagliardi, Laura; Lu, Connie C.","One-electron bonds in copper-aluminum and copper-gallium complexes.","Chemical science","2022","13","22","6525","6531","10.1039/d2sc01998a","","","0.71073","MoKα","","0.046","0.0332","","","0.0842","0.0898","","","","","","1.025","","","","has coordinates,has disorder","276601","2022-07-06","07:58:50",""
"1566935","11.344","0.004","14.194","0.004","14.285","0.005","70.274","0.017","79.551","0.017","82.067","0.014","2121.9","1.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","LGaCu","","","- C42.5 H64 Cu Ga N4 P3 -","- C42.5 H64 Cu Ga N4 P3 -","- C85 H128 Cu2 Ga2 N8 P6 -","2","1","","Graziano, Brendan J.; Scott, Thais R.; Vollmer, Matthew V.; Dorantes, Michael J.; Young, Jr, Victor G; Bill, Eckhard; Gagliardi, Laura; Lu, Connie C.","One-electron bonds in copper-aluminum and copper-gallium complexes.","Chemical science","2022","13","22","6525","6531","10.1039/d2sc01998a","","","0.71073","MoKα","","0.0365","0.0286","","","0.0728","0.0773","","","","","","1.048","","","","has coordinates,has disorder","276601","2022-07-06","07:58:50",""
"1566936","14.9147","0.0015","14.9147","0.0015","26.629","0.003","90","","90","","120","","5130","0.9","100","2","100","2","","","","","","","","8","P -3 c 1","-P 3 2""c","165","[LGaCu]2B12Cl12","","","- C78 H120 B12 Cl12 Cu2 Ga2 N8 P6 -","- C52 H80 B8 Cl8 Cu1.33333 Ga1.33333 N5.33333 P4 -","- C156 H240 B24 Cl24 Cu4 Ga4 N16 P12 -","3","0.25","","Graziano, Brendan J.; Scott, Thais R.; Vollmer, Matthew V.; Dorantes, Michael J.; Young, Jr, Victor G; Bill, Eckhard; Gagliardi, Laura; Lu, Connie C.","One-electron bonds in copper-aluminum and copper-gallium complexes.","Chemical science","2022","13","22","6525","6531","10.1039/d2sc01998a","","","0.71073","MoKα","","0.0545","0.0434","","","0.1277","0.1368","","","","","","1.013","","","","has coordinates","276601","2022-07-06","07:58:50",""
"1566937","14.9086","0.0007","14.9086","0.0007","26.6016","0.0014","90","","90","","120","","5120.5","0.4","100","2","100","2","","","","","","","","8","P -3 c 1","-P 3 2""c","165","[LAlCu]2B12Cl12","","","- C78 H120 Al2 B12 Cl12 Cu2 N8 P6 -","- C52 H80 Al1.33333 B8 Cl8 Cu1.33333 N5.33333 P4 -","- C156 H240 Al4 B24 Cl24 Cu4 N16 P12 -","3","0.25","","Graziano, Brendan J.; Scott, Thais R.; Vollmer, Matthew V.; Dorantes, Michael J.; Young, Jr, Victor G; Bill, Eckhard; Gagliardi, Laura; Lu, Connie C.","One-electron bonds in copper-aluminum and copper-gallium complexes.","Chemical science","2022","13","22","6525","6531","10.1039/d2sc01998a","","","0.71073","MoKα","","0.0543","0.0412","","","0.1101","0.117","","","","","","1.091","","","","has coordinates","276601","2022-07-06","07:58:50",""
"1566968","12.9678","0.0003","14.3694","0.0004","14.5813","0.0004","63.797","0.003","69.859","0.002","65.255","0.003","2171.18","0.12","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C42 H33 Cu2 F10 N7 O5 S2 -","- C42 H33 Cu2 F10 N7 O5 S2 -","- C84 H66 Cu4 F20 N14 O10 S4 -","2","1","","Ríos, Pablo; See, Matthew S.; Handford, Rex C.; Teat, Simon J.; Tilley, T. Don","Robust dicopper(i) μ-boryl complexes supported by a dinucleating naphthyridine-based ligand.","Chemical science","2022","13","22","6619","6625","10.1039/d2sc00848c","","x-ray","1.54184","CuKα","","0.076","0.0744","","","0.1838","0.1848","","","","","","1.054","","","","has coordinates,has disorder","276599","2022-07-06","07:57:58",""
"1566969","13.3106","0.0001","22.6847","0.0003","15.3728","0.0002","90","","107.618","0.001","90","","4424.05","0.09","100.15","","100.15","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C38 H24 B Cu2 F8 N7 O6 S2 -","- C38 H24 B Cu2 F8 N7 O6 S2 -","- C152 H96 B4 Cu8 F32 N28 O24 S8 -","4","1","","Ríos, Pablo; See, Matthew S.; Handford, Rex C.; Teat, Simon J.; Tilley, T. Don","Robust dicopper(i) μ-boryl complexes supported by a dinucleating naphthyridine-based ligand.","Chemical science","2022","13","22","6619","6625","10.1039/d2sc00848c","","x-ray","1.54184","CuKα","","0.0863","0.083","","","0.1948","0.1964","","","","","","1.103","","","","has coordinates,has disorder","276599","2022-07-06","07:57:58",""
"1566970","12.4859","0.0001","32.2974","0.0003","21.2406","0.0002","90","","90.543","0.001","90","","8565.14","0.13","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C78 H69 B2 Cu4 F16 N14 O12.5 S4 -","- C77.962 H69 B2 Cu4 F15.886 N13.962 O12.462 S4.05 -","- C311.848 H276 B8 Cu16 F63.544 N55.848 O49.848 S16.2 -","4","1","","Ríos, Pablo; See, Matthew S.; Handford, Rex C.; Teat, Simon J.; Tilley, T. Don","Robust dicopper(i) μ-boryl complexes supported by a dinucleating naphthyridine-based ligand.","Chemical science","2022","13","22","6619","6625","10.1039/d2sc00848c","","","1.54184","CuKα","","0.0967","0.0866","","","0.2561","0.2677","","","","","","1.037","","","","has coordinates,has disorder","276599","2022-07-06","07:57:58",""
"1566976","16.9909","0.0002","33.0617","0.0004","22.675","0.0002","90","","104.519","0.001","90","","12330.9","0.2","100","0.1","100","0.1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C101 H175 As8 K3 N10 Nb O18 Zn4 -","- C101 H175 As8 K3 N10 Nb O18 Zn4 -","- C404 H700 As32 K12 N40 Nb4 O72 Zn16 -","4","1","","Zhang, Wei-Qiang; Morgan, Harry W. T.; McGrady, John E.; Sun, Zhong-Ming","Synthesis and characterisation of the ternary intermetalloid clusters {M@[As<sub>8</sub>(ZnMes)<sub>4</sub>]}<sup>3-</sup> (M = Nb, Ta) from binary [M@As<sub>8</sub>]<sup>3-</sup> precursors.","Chemical science","2022","13","22","6744","6748","10.1039/d2sc01748b","","x-ray","1.54184","CuKα","","0.0452","0.0406","","","0.1011","0.1031","","","","","","1.097","","","","has coordinates,has disorder","276600","2022-07-06","07:58:20",""
"1566977","17.0926","0.0002","32.8161","0.0004","22.5199","0.0003","90","","104.29","0.0014","90","","12240.8","0.3","100","0.1","100","0.1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C92 H160 As8 K3 N8 O18 Ta Zn4 -","- C92 H160 As8 K3 N8 O18 Ta Zn4 -","- C368 H640 As32 K12 N32 O72 Ta4 Zn16 -","4","1","","Zhang, Wei-Qiang; Morgan, Harry W. T.; McGrady, John E.; Sun, Zhong-Ming","Synthesis and characterisation of the ternary intermetalloid clusters {M@[As<sub>8</sub>(ZnMes)<sub>4</sub>]}<sup>3-</sup> (M = Nb, Ta) from binary [M@As<sub>8</sub>]<sup>3-</sup> precursors.","Chemical science","2022","13","22","6744","6748","10.1039/d2sc01748b","","x-ray","1.54184","CuKα","","0.0593","0.0472","","","0.1204","0.1264","","","","","","1.068","","","","has coordinates","276600","2022-07-06","07:58:20",""
"1566978","35.2188","0.0004","15.3914","0.00016","12.77462","0.00011","90","","90","","90","","6924.7","0.12","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C71 H92 Cr Mg2 N4 O6 -","- C71 H92 Cr Mg2 N4 O6 -","- C284 H368 Cr4 Mg8 N16 O24 -","4","1","","Parr, Joseph M.; White, Andrew J. P.; Crimmin, Mark R.","Magnesium-stabilised transition metal formyl complexes: structures, bonding, and ethenediolate formation.","Chemical science","2022","13","22","6592","6598","10.1039/d2sc02063g","","","1.54184","CuKα","","0.0427","0.0376","","","0.0931","0.0978","","","","","","1.025","","","","has coordinates,has disorder","276597","2022-07-06","07:57:25",""
"1566979","35.3464","0.0008","15.4039","0.0003","12.869","0.0003","90","","90","","90","","7006.8","0.3","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C71 H92 Mg2 N4 O6 W -","- C71 H91 Mg2 N4 O6 W -","- C284 H364 Mg8 N16 O24 W4 -","4","1","","Parr, Joseph M.; White, Andrew J. P.; Crimmin, Mark R.","Magnesium-stabilised transition metal formyl complexes: structures, bonding, and ethenediolate formation.","Chemical science","2022","13","22","6592","6598","10.1039/d2sc02063g","","","1.54184","CuKα","","0.057","0.0427","","","0.1045","0.1166","","","","","","1.023","","","","has coordinates,has disorder","276597","2022-07-06","07:57:25",""
"1566980","15.2588","0.0007","12.9668","0.0005","35.832","0.003","90","","97.903","0.005","90","","7022.3","0.7","172.95","0.1","172.95","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C67 H91 Mg2 Mn N4 O3 -","- C67 H91 Mg2 Mn N4 O3 -","- C268 H364 Mg8 Mn4 N16 O12 -","4","1","","Parr, Joseph M.; White, Andrew J. P.; Crimmin, Mark R.","Magnesium-stabilised transition metal formyl complexes: structures, bonding, and ethenediolate formation.","Chemical science","2022","13","22","6592","6598","10.1039/d2sc02063g","","x-ray","0.71073","MoKα","","0.124","0.0822","","","0.2192","0.2545","","","","","","1.028","","","","has coordinates,has disorder","276597","2022-07-06","07:57:25",""
"1566981","14.0176","0.0004","13.9077","0.0005","40.2691","0.001","90","","99.749","0.003","90","","7737.2","0.4","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C79 H120 Mg2 N4 O2 Rh -","- C79 H120 Mg2 N4 O2 Rh -","- C316 H480 Mg8 N16 O8 Rh4 -","4","1","","Parr, Joseph M.; White, Andrew J. P.; Crimmin, Mark R.","Magnesium-stabilised transition metal formyl complexes: structures, bonding, and ethenediolate formation.","Chemical science","2022","13","22","6592","6598","10.1039/d2sc02063g","","","0.71073","MoKα","","0.0652","0.0443","","","0.0977","0.1068","","","","","","1.02","","","","has coordinates,has disorder","276597","2022-07-06","07:57:25",""
"1566982","19.433","0.0002","17.40489","0.00018","30.8931","0.0004","90","","96.4115","0.0012","90","","10383.6","0.2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C104 H154 Cr Mg3 N6 O5 -","- C103.994 H153.986 Cr Mg3 N6 O5 -","- C415.976 H615.944 Cr4 Mg12 N24 O20 -","4","1","","Parr, Joseph M.; White, Andrew J. P.; Crimmin, Mark R.","Magnesium-stabilised transition metal formyl complexes: structures, bonding, and ethenediolate formation.","Chemical science","2022","13","22","6592","6598","10.1039/d2sc02063g","","","1.54184","CuKα","","0.0915","0.057","","","0.1418","0.1667","","","","","","1.022","","","","has coordinates,has disorder","276597","2022-07-06","07:57:25",""
"1566983","14.0273","0.0006","13.9062","0.0006","40.2048","0.0014","90","","99.779","0.004","90","","7728.7","0.5","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C79 H120 Ir Mg2 N4 O2 -","- C79 H120 Ir Mg2 N4 O2 -","- C316 H480 Ir4 Mg8 N16 O8 -","4","1","","Parr, Joseph M.; White, Andrew J. P.; Crimmin, Mark R.","Magnesium-stabilised transition metal formyl complexes: structures, bonding, and ethenediolate formation.","Chemical science","2022","13","22","6592","6598","10.1039/d2sc02063g","","","0.71073","MoKα","","0.1545","0.1271","","","0.3227","0.331","","","","","","1.266","","","","has coordinates,has disorder","276597","2022-07-06","07:57:25",""
"1566984","15.3628","0.0002","12.9497","0.0002","35.885","0.0006","90","","99.436","0.002","90","","7042.5","0.19","173","0.14","173","0.14","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C67 H90 Cr Mg2 N4 O3 -","- C67 H90 Cr Mg2 N4 O3 -","- C268 H360 Cr4 Mg8 N16 O12 -","4","1","","Parr, Joseph M.; White, Andrew J. P.; Crimmin, Mark R.","Magnesium-stabilised transition metal formyl complexes: structures, bonding, and ethenediolate formation.","Chemical science","2022","13","22","6592","6598","10.1039/d2sc02063g","","x-ray","1.54184","CuKα","","0.0724","0.0517","","","0.1388","0.1558","","","","","","1.025","","","","has coordinates,has disorder","276597","2022-07-06","07:57:25",""
"1566985","13.3957","0.001","13.4353","0.0008","22.6744","0.0008","99.136","0.004","97.078","0.004","112.627","0.006","3642.1","0.4","173","0.14","173","0.14","","","","","","","","6","P -1","-P 1","2","","","","- C77 H100 Fe Mg2 N4 O5 -","- C77 H100 Fe Mg2 N4 O5 -","- C154 H200 Fe2 Mg4 N8 O10 -","2","1","","Parr, Joseph M.; White, Andrew J. P.; Crimmin, Mark R.","Magnesium-stabilised transition metal formyl complexes: structures, bonding, and ethenediolate formation.","Chemical science","2022","13","22","6592","6598","10.1039/d2sc02063g","","x-ray","0.71073","MoKα","","0.127","0.098","","","0.3006","0.3168","","","","","","1.116","","","","has coordinates,has disorder","276597","2022-07-06","07:57:25",""
"1566986","13.9878","0.0004","13.5935","0.0008","41.687","0.003","90","","92.375","0.005","90","","7919.7","0.8","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C84 H115 Co Mg2 N4 O2 -","- C84.007 H115.008 Co Mg2 N4 O2 -","- C336.028 H460.032 Co4 Mg8 N16 O8 -","4","1","","Parr, Joseph M.; White, Andrew J. P.; Crimmin, Mark R.","Magnesium-stabilised transition metal formyl complexes: structures, bonding, and ethenediolate formation.","Chemical science","2022","13","22","6592","6598","10.1039/d2sc02063g","","","1.54184","CuKα","","0.1655","0.1004","","","0.2251","0.2711","","","","","","1.042","","","","has coordinates,has disorder","276597","2022-07-06","07:57:25",""
"1566996","15.7788","0.0018","5.6659","0.0007","16.0675","0.0019","90","","116.848","0.003","90","","1281.6","0.3","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H15 N O S -","- C15 H15 N O S -","- C60 H60 N4 O4 S4 -","4","1","","Li, Zi-Qi; He, Wen-Ji; Ni, Hui-Qi; Engle, Keary M.","Directed, nickel-catalyzed 1,2-alkylsulfenylation of alkenyl carbonyl compounds.","Chemical science","2022","13","22","6567","6572","10.1039/d2sc01563c","","x-ray","0.71073","MoKα","K-L~3~","0.0456","0.0403","","","0.0912","0.0935","","","","","","1.087","","","","has coordinates","276602","2022-07-06","07:59:01",""
"1566997","7.7413","0.0014","10.5757","0.0019","25.507","0.005","90","","98.727","0.005","90","","2064.1","0.7","100","2","100.15","","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C23 H26 N2 O S -","- C23 H26 N2 O S -","- C92 H104 N8 O4 S4 -","4","2","","Li, Zi-Qi; He, Wen-Ji; Ni, Hui-Qi; Engle, Keary M.","Directed, nickel-catalyzed 1,2-alkylsulfenylation of alkenyl carbonyl compounds.","Chemical science","2022","13","22","6567","6572","10.1039/d2sc01563c","","","0.71073","MoKα","","0.0541","0.0529","","","0.1285","0.1298","","","","","","1.072","","","","has coordinates,has disorder","276602","2022-07-06","07:59:05",""
"1566998","12.4688","0.0008","12.8052","0.0007","15.4127","0.0008","79.663","0.005","83.931","0.005","69.083","0.005","2259.1","0.2","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","Mesitylphenylchloronium tetra(3,5-ditrifluoromethylphenyl)borate","","- C47 H28 B Cl F24 -","- C47 H28 B Cl F24 -","- C94 H56 B2 Cl2 F48 -","2","1","","Karandikar, Shubhendu S.; Bhattacharjee, Avik; Metze, Bryan E.; Javaly, Nicole; Valente, Edward J.; McCormick, Theresa M.; Stuart, David R.","Orbital analysis of bonding in diarylhalonium salts and relevance to periodic trends in structure and reactivity.","Chemical science","2022","13","22","6532","6540","10.1039/d2sc02332f","","x-ray","0.71073","MoKα","","0.0737","0.0609","","","0.1671","0.1801","","","","","","1.034","","","","has coordinates","288220","2023-12-11","22:07:22",""
"1566999","12.4957","0.0007","12.7882","0.0009","15.4855","0.0008","79.453","0.005","83.941","0.005","69.043","0.006","2269.6","0.3","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","Mesitylphenylbromonium tetra(3,5-ditrifluoromethylphenyl)borate","","- C47 H28 B Br F24 -","- C47 H28 B Br F24 -","- C94 H56 B2 Br2 F48 -","2","1","","Karandikar, Shubhendu S.; Bhattacharjee, Avik; Metze, Bryan E.; Javaly, Nicole; Valente, Edward J.; McCormick, Theresa M.; Stuart, David R.","Orbital analysis of bonding in diarylhalonium salts and relevance to periodic trends in structure and reactivity.","Chemical science","2022","13","22","6532","6540","10.1039/d2sc02332f","","x-ray","0.71073","MoKα","","0.0651","0.0547","","","0.1478","0.1562","","","","","","1.04","","","","has coordinates","287939","2023-12-01","16:52:17",""
"1567000","12.5291","0.0007","12.8808","0.0008","15.7078","0.0009","79.342","0.005","83.823","0.005","68.734","0.005","2319.4","0.2","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","Mesitylphenyliodonium tetra(3,5-ditrifluoromethylphenyl)borate","","- C47 H28 B F24 I -","- C47 H28 B F24 I -","- C94 H56 B2 F48 I2 -","2","1","","Karandikar, Shubhendu S.; Bhattacharjee, Avik; Metze, Bryan E.; Javaly, Nicole; Valente, Edward J.; McCormick, Theresa M.; Stuart, David R.","Orbital analysis of bonding in diarylhalonium salts and relevance to periodic trends in structure and reactivity.","Chemical science","2022","13","22","6532","6540","10.1039/d2sc02332f","","x-ray","0.71073","MoKα","","0.0726","0.0545","","","0.157","0.1653","","","","","","0.979","","","","has coordinates","288220","2023-12-11","22:07:22",""
"1567002","7.9267","0.0005","10.4752","0.0007","10.6827","0.0007","107.079","0.002","100.319","0.001","102.013","0.001","801.49","0.09","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C13 H18 B Cu F4 N4 -","- C13 H18 B Cu F4 N4 -","- C26 H36 B2 Cu2 F8 N8 -","2","1","","Noonikara-Poyil, Anurag; Ridlen, Shawn G.; Fernández, Israel; Dias, H. V. Rasika","Isolable acetylene complexes of copper and silver","Chemical Science","2022","13","24","7190","7203","10.1039/D2SC02377F","","x-ray","0.71073","MoKα","K-L~3~","0.0678","0.0492","","","0.0855","0.0931","","","","","","1.072","","","","has coordinates","276587","2022-07-06","07:53:43",""
"1567003","11.064","0.0005","13.6074","0.0006","11.4278","0.0005","90","","91.989","0.002","90","","1719.44","0.13","100","","100","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C31 H22 B Cu F18 N6 -","- C31 H22 B Cu F18 N6 -","- C62 H44 B2 Cu2 F36 N12 -","2","0.5","","Noonikara-Poyil, Anurag; Ridlen, Shawn G.; Fernández, Israel; Dias, H. V. Rasika","Isolable acetylene complexes of copper and silver","Chemical Science","2022","13","24","7190","7203","10.1039/D2SC02377F","","x-ray","0.71073","MoKα","K-L~3~","0.0842","0.0534","","","0.1101","0.136","","","","","","1.038","","","","has coordinates,has disorder","276587","2022-07-06","07:53:45",""
"1567004","14.6979","0.0006","10.2199","0.0005","15.7068","0.0007","90","","105.812","0.001","90","","2270.06","0.18","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 Ag B F6 N4 -","- C22 H16 Ag B F6 N4 -","- C88 H64 Ag4 B4 F24 N16 -","4","1","","Noonikara-Poyil, Anurag; Ridlen, Shawn G.; Fernández, Israel; Dias, H. V. Rasika","Isolable acetylene complexes of copper and silver","Chemical Science","2022","13","24","7190","7203","10.1039/D2SC02377F","","x-ray","0.71073","MoKα","K-L~3~","0.0501","0.0354","","","0.0748","0.0812","","","","","","1.053","","","","has coordinates","276587","2022-07-06","07:53:45",""
"1567005","10.1272","0.0002","10.3873","0.0002","12.0427","0.0003","75.542","0.001","65.639","0.001","76.936","0.001","1106.56","0.04","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C22 H16 B Cu F6 N4 -","- C22 H16 B Cu F6 N4 -","- C44 H32 B2 Cu2 F12 N8 -","2","1","","Noonikara-Poyil, Anurag; Ridlen, Shawn G.; Fernández, Israel; Dias, H. V. Rasika","Isolable acetylene complexes of copper and silver","Chemical Science","2022","13","24","7190","7203","10.1039/D2SC02377F","","x-ray","0.71073","MoKα","K-L~3~","0.0373","0.0331","","","0.0824","0.0857","","","","","","1.077","","","","has coordinates","276587","2022-07-06","07:53:45",""
"1567006","11.724","0.0005","12.2179","0.0005","12.8999","0.0006","90","","93.091","0.002","90","","1845.13","0.14","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H18 Ag F6 N4 Sb -","- C13 H18 Ag F6 N4 Sb -","- C52 H72 Ag4 F24 N16 Sb4 -","4","1","","Noonikara-Poyil, Anurag; Ridlen, Shawn G.; Fernández, Israel; Dias, H. V. Rasika","Isolable acetylene complexes of copper and silver","Chemical Science","2022","13","24","7190","7203","10.1039/D2SC02377F","","x-ray","0.71073","MoKα","K-L~3~","0.0429","0.0352","","","0.0678","0.0744","","","","","","1.022","","","","has coordinates","276587","2022-07-06","07:53:45",""
"1567012","14.3431","0.0018","16.633","0.002","20.226","0.003","90","","97.151","0.004","90","","4787.8","1.1","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C72 H108 Br2 I2 N36 O36 -","- C72 H108 Br2 I2 N36 O36 -","- C144 H216 Br4 I4 N72 O72 -","2","0.5","","Liu, Fengbo; Yang, Hai; Sun, Dongdong; Gao, Fang; Zhang, Xiongzhi; Zhao, Zhiyong; Han, Xie; Liu, Simin","Red aqueous room-temperature phosphorescence modulated by anion–π and intermolecular electronic coupling interactions","Chemical Science","2022","13","24","7247","7255","10.1039/D1SC06503C","","","0.71073","MoKα","","0.0354","0.0339","","","0.086","0.0867","","","","","","1.171","","","","has coordinates","276591","2022-07-06","07:54:47",""
"1567013","6.6366","0.0019","6.8219","0.0019","19.554","0.006","82.484","0.007","87.519","0.007","68.781","0.006","818.2","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H40 Br2 Cl2 N4 O10 -","- C24 H40 Br2 Cl2 N4 O10 -","- C24 H40 Br2 Cl2 N4 O10 -","1","0.5","","Liu, Fengbo; Yang, Hai; Sun, Dongdong; Gao, Fang; Zhang, Xiongzhi; Zhao, Zhiyong; Han, Xie; Liu, Simin","Red aqueous room-temperature phosphorescence modulated by anion–π and intermolecular electronic coupling interactions","Chemical Science","2022","13","24","7247","7255","10.1039/D1SC06503C","","","0.71073","MoKα","","0.0934","0.0637","","","0.1652","0.1803","","","","","","1.071","","","","has coordinates","276591","2022-07-06","07:54:50",""
"1567038","16.7731","0.0003","7.1332","0.0002","19.2367","0.0004","90","","104.828","0.002","90","","2224.95","0.09","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H22 Cl N O -","- C29 H22 Cl N O -","- C116 H88 Cl4 N4 O4 -","4","1","","Sun, Lincong; Zhao, Yuyao; Liu, Bingxian; Chang, Junbiao; Li, Xingwei","RhodiumIII-catalyzed remote difunctionalization of arenes assisted by a relay directing group","Chemical Science","2022","13","24","7347","7354","10.1039/D2SC02205B","","x-ray","1.54184","CuKα","","0.0608","0.049","","","0.1322","0.1374","","","","","","1.084","","","","has coordinates","276593","2022-07-06","07:55:31",""
"1567039","18.7457","0.0002","7.7279","0.0001","31.217","0.0004","90","","93.528","0.001","90","","4513.68","0.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H58 Cl2 N2 O2 Rh2 -","- C50 H58 Cl2 N2 O2 Rh2 -","- C200 H232 Cl8 N8 O8 Rh8 -","4","1","","Sun, Lincong; Zhao, Yuyao; Liu, Bingxian; Chang, Junbiao; Li, Xingwei","RhodiumIII-catalyzed remote difunctionalization of arenes assisted by a relay directing group","Chemical Science","2022","13","24","7347","7354","10.1039/D2SC02205B","","x-ray","1.54184","CuKα","","0.0583","0.0466","","","0.1166","0.1232","","","","","","1.041","","","","has coordinates","276593","2022-07-06","07:55:34",""
"1567040","9.018","0.005","20.697","0.009","17.164","0.006","90","","98.38","0.02","90","","3169","2","293.15","","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H38 N2 O4 S -","- C37 H38 N2 O4 S -","- C148 H152 N8 O16 S4 -","4","1","","Jiang, Kun; Li, Shi-Jun; Liu, Qing-Peng; Yu, Ning; Li, Yu-Lin; Zhou, Yu-Qiang; He, Kui-Cheng; Lin, Jing; Zheng, Ting-Yu; Lang, Jian; Lan, Yu; Wei, Ye","Iminyl radical-triggered relay annulation for the construction of bridged aza-tetracycles bearing four contiguous stereogenic centers","Chemical Science","2022","13","24","7283","7288","10.1039/D2SC01548J","","","0.71073","MoKα","","0.0811","0.0506","","","0.1058","0.1228","","","","","","1.021","","","","has coordinates","276589","2022-07-06","07:54:14",""
"1567048","10.1334","0.0004","10.2002","0.0003","11.4807","0.0004","93.3946","0.0013","99.9779","0.0014","107.948","0.0013","1103.79","0.07","100","","100","","","","","","","","","4","P 1","P 1","1","","","","- C53 H37 N11 O4 -","- C53 H37 N11 O4 -","- C53 H37 N11 O4 -","1","1","","Gorai, Tumpa; Lovitt, June I.; Umadevi, Deivasigamani; McManus, Gavin; Gunnlaugsson, Thorfinnur","Hierarchical supramolecular co-assembly formation employing multi-component light-harvesting charge transfer interactions giving rise to long-wavelength emitting luminescent microspheres.","Chemical science","2022","13","26","7805","7813","10.1039/d2sc02097a","","x-ray","0.71073","MoKα","K-L~3~","0.0934","0.0551","","","0.1136","0.1315","","","","","","1.012","","","","has coordinates","277103","2022-08-06","11:43:31",""
"1567049","12.733","0.004","13.433","0.005","14.738","0.005","63.059","0.008","71.223","0.009","73.702","0.009","2100.3","1.3","120","","120","","","","","","","","","5","P 1","P 1","1","","","","- C75.5 H85.5 Cl10.5 N12 O12 -","- C72 H82 N12 O12 -","- C72 H82 N12 O12 -","1","1","","Al Kelabi, Dana; Dey, Avishek; Alimi, Lukman O.; Piwoński, Hubert; Habuchi, Satoshi; Khashab, Niveen M.","Photostable polymorphic organic cages for targeted live cell imaging","Chemical Science","2022","13","24","7341","7346","10.1039/D2SC00836J","","","0.71073","MoKα","","0.1169","0.0873","","","0.2043","0.2226","","","","","","0.971","","","","has coordinates","276595","2022-07-06","07:56:10",""
"1567072","7.1241","0.0005","34.022","0.002","7.3539","0.0005","90","","90.288","0.004","90","","1782.4","0.2","100","2","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H17 N5 O5 -","- C18 H17 N5 O5 -","- C72 H68 N20 O20 -","4","2","","Zhang, Dequan; Wen, Jialin; Zhang, Xumu","Construction of a quaternary stereogenic center by asymmetric hydroformylation: a straightforward method to prepare chiral α-quaternary amino acids","Chemical Science","2022","13","24","7215","7223","10.1039/D2SC02139K","","x-ray","1.54178","CuKα","","0.0391","0.0348","","","0.0815","0.0843","","","","","","1.07","","","","has coordinates","276588","2022-07-06","07:54:00",""
"1567076","14.7293","0.0004","18.9653","0.0006","22.0241","0.0006","66.815","0.001","72.348","0.001","74.252","0.002","5307.4","0.3","173","2","173","","","","","","","","","4","P -1","-P 1","2","","","","- C111 H127 N11 O4 -","- C111 H127 N11 O4 -","- C222 H254 N22 O8 -","2","1","","Zhou, Weinan; Sarma, Tridib; Yang, Liu; Lei, Chuanhu; Sessler, Jonathan L.","Controlled assembly of a bicyclic porphyrinoid and its 3-dimensional boron difluoride arrays","Chemical Science","2022","13","24","7276","7282","10.1039/D2SC01635D","","","1.54178","CuKα","","0.1788","0.1249","","","0.311","0.3375","","","","","","1.818","","","","has coordinates,has disorder","276592","2022-07-06","07:55:18",""
"1567077","17.2251","0.0004","23.1997","0.0007","28.8441","0.0008","90","","90","","90","","11526.6","0.5","173","","173","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C109 H121 B4 F8 N11 O5 -","- C109 H121 B4 F8 N11 O5 -","- C436 H484 B16 F32 N44 O20 -","4","1","","Zhou, Weinan; Sarma, Tridib; Yang, Liu; Lei, Chuanhu; Sessler, Jonathan L.","Controlled assembly of a bicyclic porphyrinoid and its 3-dimensional boron difluoride arrays","Chemical Science","2022","13","24","7276","7282","10.1039/D2SC01635D","","","1.54178","CuKα","","0.0994","0.0823","","","0.2307","0.2518","","","","","","1.002","","","","has coordinates,has disorder","276592","2022-07-06","07:55:19",""
"1567078","38.9356","0.001","18.8132","0.0004","29.4619","0.0007","90","","90","","90","","21580.9","0.9","173","","173","","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C111 H129 B2 Cl4 F4 N11 O5 -","- C111 H129 B2 Cl4 F4 N11 O5 -","- C888 H1032 B16 Cl32 F32 N88 O40 -","8","1","","Zhou, Weinan; Sarma, Tridib; Yang, Liu; Lei, Chuanhu; Sessler, Jonathan L.","Controlled assembly of a bicyclic porphyrinoid and its 3-dimensional boron difluoride arrays","Chemical Science","2022","13","24","7276","7282","10.1039/D2SC01635D","","","1.54178","CuKα","","0.1328","0.1029","","","0.3092","0.3439","","","","","","1.34","","","","has coordinates","276592","2022-07-06","07:55:19",""
"1567079","12.9759","0.0005","17.3","0.0006","23.1532","0.0008","82.59","0.002","81.602","0.002","76.517","0.002","4975.7","0.3","150","2","150","","","","","","","","","5","P -1","-P 1","2","","","","- C104 H104 B3 F6 N11 -","- C104 H104 B3 F6 N11 -","- C208 H208 B6 F12 N22 -","2","1","","Zhou, Weinan; Sarma, Tridib; Yang, Liu; Lei, Chuanhu; Sessler, Jonathan L.","Controlled assembly of a bicyclic porphyrinoid and its 3-dimensional boron difluoride arrays","Chemical Science","2022","13","24","7276","7282","10.1039/D2SC01635D","","","1.54178","CuKα","","0.1316","0.0881","","","0.24","0.2826","","","","","","1.056","","","","has coordinates,has disorder","276592","2022-07-06","07:55:19",""
"1567080","8.465","0.0004","16.1068","0.0008","13.6527","0.0006","90","","95.327","0.002","90","","1853.43","0.15","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H60 B2 N4 O4 -","- C38 H60 B2 N4 O4 -","- C76 H120 B4 N8 O8 -","2","0.5","","Kuehn, Laura; Zapf, Ludwig; Werner, Luis; Stang, Martin; Würtemberger-Pietsch, Sabrina; Krummenacher, Ivo; Braunschweig, Holger; Lacôte, Emmanuel; Marder, Todd B.; Radius, Udo","NHC induced radical formation <i>via</i> homolytic cleavage of B-B bonds and its role in organic reactions.","Chemical science","2022","13","28","8321","8333","10.1039/d2sc02096c","","","0.71073","MoKα","","0.0401","0.0359","","","0.0929","0.0963","","","","","","1.06","","","","has coordinates","277093","2022-08-06","11:38:26",""
"1567081","13.3858","0.0002","14.2988","0.0002","13.1709","0.0002","90","","109.65","0.002","90","","2374.11","0.07","100","2","99.97","0.1","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C20 H36 B I N4 O2 -","- C20 H36 B I N4 O2 -","- C80 H144 B4 I4 N16 O8 -","4","1","","Kuehn, Laura; Zapf, Ludwig; Werner, Luis; Stang, Martin; Würtemberger-Pietsch, Sabrina; Krummenacher, Ivo; Braunschweig, Holger; Lacôte, Emmanuel; Marder, Todd B.; Radius, Udo","NHC induced radical formation <i>via</i> homolytic cleavage of B-B bonds and its role in organic reactions.","Chemical science","2022","13","28","8321","8333","10.1039/d2sc02096c","","x-ray","1.54184","CuKα","","0.0422","0.0367","","","0.0946","0.1018","","","","","","1.09","","","","has coordinates,has disorder","277093","2022-08-06","11:38:29",""
"1567087","13.984","0.003","14.07","0.004","14.277","0.004","61.576","0.005","82.569","0.006","62.486","0.005","2176.2","1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H60 Cl2 N2 O4 S2 -","- C45 H60 Cl2 N2 O4 S2 -","- C90 H120 Cl4 N4 O8 S4 -","2","1","","Ning, Chao; Rui, Kang-Hua; Wei, Yin; Shi, Min","Rh(i)-catalyzed dimerization of ene-vinylidenecyclopropanes for the construction of spiro[4,5]decanes and mechanistic studies","Chemical Science","2022","13","24","7310","7317","10.1039/D1SC06986A","","","0.71073","MoKα","","0.0985","0.0731","","","0.1976","0.2208","","","","","","1.016","","","","has coordinates","276594","2022-07-06","07:55:53",""
"1567088","8.9639","0.0003","11.1228","0.0003","13.259","0.0004","90","","90","","90","","1321.97","0.07","100.01","0.1","100.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H14 Cl I O2 -","- C13 H14 Cl I O2 -","- C52 H56 Cl4 I4 O8 -","4","1","","Payne, Jenna L.; Deng, Zihang; Flach, Andrew L.; Johnston, Jeffrey N.","Enantioselective iodolactonization to prepare ε-lactone rings using hypervalent iodine","Chemical Science","2022","13","24","7318","7324","10.1039/D2SC01587K","","x-ray","0.71073","MoKα","","0.0362","0.0326","","","0.0608","0.0623","","","","","","1.043","","","","has coordinates","276590","2022-07-06","07:54:28",""
"1567091","11.9424","0.0004","24.7899","0.0009","22.9964","0.0009","90","","95.974","0.001","90","","6771.1","0.4","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","K{crypt}[Fe(NMes)(N{Dipp}TMS)2]","","- C57 H99 Fe K N5 O6 Si2 -","- C57 H99 Fe K N5 O6 Si2 -","- C228 H396 Fe4 K4 N20 O24 Si8 -","4","1","","Reith, Sascha; Demeshko, Serhiy; Battistella, Beatrice; Reckziegel, Alexander; Schneider, Christian; Stoy, Andreas; Lichtenberg, Crispin; Meyer, Franc; Munz, Dominik; Werncke, C. Gunnar","Between imide, imidyl and nitrene - an imido iron complex in two oxidation states.","Chemical science","2022","13","26","7907","7913","10.1039/d2sc01088g","","","0.71073","MoKα","","0.0571","0.0445","","","0.1018","0.1072","","","","","","1.047","","","","has coordinates","277101","2022-08-06","11:43:13",""
"1567092","19.2646","0.0007","16.7587","0.0007","24.952","0.0011","90","","90","","90","","8055.7","0.6","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","[Fe(NMes)(N{Dipp}TMS)2]","","- C39 H63 Fe N3 Si2 -","- C39 H63 Fe N3 Si2 -","- C312 H504 Fe8 N24 Si16 -","8","1","","Reith, Sascha; Demeshko, Serhiy; Battistella, Beatrice; Reckziegel, Alexander; Schneider, Christian; Stoy, Andreas; Lichtenberg, Crispin; Meyer, Franc; Munz, Dominik; Werncke, C. Gunnar","Between imide, imidyl and nitrene - an imido iron complex in two oxidation states.","Chemical science","2022","13","26","7907","7913","10.1039/d2sc01088g","","","0.71073","MoKα","","0.0651","0.0464","","","0.0897","0.0953","","","","","","1.042","","","","has coordinates","277101","2022-08-06","11:43:13",""
"1567093","18.281","0.0008","14.0555","0.0006","22.1239","0.0009","90","","106.298","0.001","90","","5456.3","0.4","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","K{crypt}[Fe(N{Dipp}TMS)2]","","- C48 H88 Fe K N4 O6 Si2 -","- C48 H88 Fe K N4 O6 Si2 -","- C192 H352 Fe4 K4 N16 O24 Si8 -","4","1","","Reith, Sascha; Demeshko, Serhiy; Battistella, Beatrice; Reckziegel, Alexander; Schneider, Christian; Stoy, Andreas; Lichtenberg, Crispin; Meyer, Franc; Munz, Dominik; Werncke, C. Gunnar","Between imide, imidyl and nitrene - an imido iron complex in two oxidation states.","Chemical science","2022","13","26","7907","7913","10.1039/d2sc01088g","","","0.71073","MoKα","","0.0548","0.0422","","","0.0955","0.1021","","","","","","1.027","","","","has coordinates,has disorder","277101","2022-08-06","11:43:13",""
"1567094","13.8538","0.0008","24.6616","0.0014","23.5229","0.0013","90","","90.755","0.002","90","","8036.1","0.8","100","","100","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","K{crypt}[Fe(S2CNMes)(N{Dipp}TMS)2]","","- C58 H99 Fe K N5 O6 S2 Si2 -","- C58 H99 Fe K N5 O6 S2 Si2 -","- C232 H396 Fe4 K4 N20 O24 S8 Si8 -","4","1","","Reith, Sascha; Demeshko, Serhiy; Battistella, Beatrice; Reckziegel, Alexander; Schneider, Christian; Stoy, Andreas; Lichtenberg, Crispin; Meyer, Franc; Munz, Dominik; Werncke, C. Gunnar","Between imide, imidyl and nitrene - an imido iron complex in two oxidation states.","Chemical science","2022","13","26","7907","7913","10.1039/d2sc01088g","","","0.71073","MoKα","","0.078","0.0566","","","0.1235","0.13","","","","","","1.048","","","","has coordinates","277101","2022-08-06","11:43:13",""
"1567095","12.807","","13.731","","20.965","","90","","110.6","","90","","3451.02","","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H24 N2 O9 S4 -","- C35 H30 N2 O9 S4 -","- C140 H120 N8 O36 S16 -","4","1","","Liu, Chunyang; Shangguan, Xiaoyan; Li, Yan; Zhang, Qian","Copper-catalyzed radical cascade reaction of simple cyclobutanes: synthesis of highly functionalized cyclobutene derivatives.","Chemical science","2022","13","26","7886","7891","10.1039/d2sc00765g","","","0.71073","MoKα","","0.0743","0.055","","","0.1255","0.1402","","","","","","1.038","","","","has coordinates","277102","2022-08-06","11:43:22",""
"1567096","7.6142","0.0004","7.1461","0.0004","12.6645","0.0007","90","","106.526","0.006","90","","660.63","0.07","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C8 H7.33 Br2 O0.67 -","- C8 H7.33333 Br2 O0.666667 -","- C24 H22 Br6 O2 -","3","0.75","","Liu, Chunyang; Shangguan, Xiaoyan; Li, Yan; Zhang, Qian","Copper-catalyzed radical cascade reaction of simple cyclobutanes: synthesis of highly functionalized cyclobutene derivatives.","Chemical science","2022","13","26","7886","7891","10.1039/d2sc00765g","","x-ray","1.54184","CuKα","","0.0801","0.0747","","","0.192","0.2058","","","","","","1.076","","","","has coordinates,has disorder","277102","2022-08-06","11:43:23",""
"1567097","6.1025","0.0003","8.5817","0.0005","14.6868","0.0009","86.201","0.005","80.086","0.005","76.138","0.005","735.34","0.07","391","300","391","300","","","","","","","","4","P -1","-P 1","2","","'4-phenyl-2,5-di(pyridin-2-yl)oxazole'","","- C19 H13 N3 O -","- C19 H13 N3 O -","- C38 H26 N6 O2 -","2","1","","Basavaiah, Deevi; Golime, Gangadhararao; Banoth, Shivalal; Todeti, Saidulu","An umpolung strategy for intermolecular [2 + 2 + 1] cycloaddition of aryl aldehydes and nitriles: a facile access to 2,4,5-trisubstituted oxazoles.","Chemical science","2022","13","27","8080","8087","10.1039/d2sc00046f","","","0.71073","MoKα","","0.0601","0.0483","","","0.136","0.1458","","","","","","1.092","","","","has coordinates","277095","2022-08-06","11:39:07",""
"1567098","12.0851","0.0004","7.7428","0.0003","19.0267","0.0008","90","","102.465","0.004","90","","1738.41","0.12","297","7","297","7","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","'2-(pyridin-2-yl)-4-(p-tolyl)-5-(2,4,6-trifluorophenyl)oxazole'","","- C21 H13 F3 N2 O -","- C21 H13 F3 N2 O -","- C84 H52 F12 N8 O4 -","4","1","","Basavaiah, Deevi; Golime, Gangadhararao; Banoth, Shivalal; Todeti, Saidulu","An umpolung strategy for intermolecular [2 + 2 + 1] cycloaddition of aryl aldehydes and nitriles: a facile access to 2,4,5-trisubstituted oxazoles.","Chemical science","2022","13","27","8080","8087","10.1039/d2sc00046f","","","0.71073","MoKα","","0.0543","0.0404","","","0.1078","0.1166","","","","","","1.082","","","","has coordinates","277095","2022-08-06","11:39:07",""
"1567099","21.1606","0.001","7.1694","0.0003","25.5604","0.0014","90","","110.862","0.006","90","","3623.5","0.3","201","130","201","130","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","'2,5-bis(6-methylpyridin-2-yl)-4-(p-tolyl)oxazole'","","- C22 H19 N3 O -","- C22 H19 N3 O -","- C176 H152 N24 O8 -","8","1","","Basavaiah, Deevi; Golime, Gangadhararao; Banoth, Shivalal; Todeti, Saidulu","An umpolung strategy for intermolecular [2 + 2 + 1] cycloaddition of aryl aldehydes and nitriles: a facile access to 2,4,5-trisubstituted oxazoles.","Chemical science","2022","13","27","8080","8087","10.1039/d2sc00046f","","","0.71073","MoKα","","0.0812","0.0548","","","0.15","0.1725","","","","","","1.086","","","","has coordinates","277095","2022-08-06","11:39:07",""
"1567100","5.7112","0.0016","23.177","0.008","10.865","0.004","90","","90.891","0.013","90","","1438","0.8","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","'5-(4-chlorophenyl)-4-cyclopropyl-2-(pyridin-2-yl)oxazole'","","- C17 H13 Cl N2 O -","- C17 H13 Cl N2 O -","- C68 H52 Cl4 N8 O4 -","4","1","","Basavaiah, Deevi; Golime, Gangadhararao; Banoth, Shivalal; Todeti, Saidulu","An umpolung strategy for intermolecular [2 + 2 + 1] cycloaddition of aryl aldehydes and nitriles: a facile access to 2,4,5-trisubstituted oxazoles.","Chemical science","2022","13","27","8080","8087","10.1039/d2sc00046f","","","0.71073","MoKα","","0.0525","0.0471","","","0.1145","0.1183","","","","","","1.094","","","","has coordinates","277095","2022-08-06","11:39:07",""
"1567101","11.3712","0.0005","9.205","0.0004","19.1767","0.0009","90","","104.402","0.005","90","","1944.18","0.16","296.9","0.3","296.9","0.3","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","'4-phenyl-2,5-di(quinolin-2-yl)oxazole'","","- C27 H17 N3 O -","- C27 H17 N3 O -","- C108 H68 N12 O4 -","4","1","","Basavaiah, Deevi; Golime, Gangadhararao; Banoth, Shivalal; Todeti, Saidulu","An umpolung strategy for intermolecular [2 + 2 + 1] cycloaddition of aryl aldehydes and nitriles: a facile access to 2,4,5-trisubstituted oxazoles.","Chemical science","2022","13","27","8080","8087","10.1039/d2sc00046f","","","0.71073","MoKα","","0.0589","0.0428","","","0.113","0.1236","","","","","","1.088","","","","has coordinates","277095","2022-08-06","11:39:07",""
"1567102","7.4535","0.0011","11.5915","0.0016","18.893","0.003","90","","90","","90","","1632.3","0.4","198","140","198","140","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","'5-phenyl-2-(pyridin-2-yl)-4-(p-tolyl)oxazole'","","- C21 H16 N2 O -","- C21 H16 N2 O -","- C84 H64 N8 O4 -","4","1","","Basavaiah, Deevi; Golime, Gangadhararao; Banoth, Shivalal; Todeti, Saidulu","An umpolung strategy for intermolecular [2 + 2 + 1] cycloaddition of aryl aldehydes and nitriles: a facile access to 2,4,5-trisubstituted oxazoles.","Chemical science","2022","13","27","8080","8087","10.1039/d2sc00046f","","","0.71073","MoKα","","0.0772","0.0574","","","0.135","0.1461","","","","","","1.067","","","","has coordinates","277095","2022-08-06","11:39:07",""
"1567108","14.0332","0.0006","15.3545","0.0007","22.418","0.0009","82.805","0.004","84.35","0.003","88.156","0.004","4768.2","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H36 Ag13 F18 N6 O18 S6 -","- C42 H36 Ag13 F18 N6 O18 S6 -","- C84 H72 Ag26 F36 N12 O36 S12 -","2","1","","Li, Cui-Cui; Zhang, Siqi; Tang, Jian; Jian, Ruijun; Xia, Yu; Zhao, Liang","Pyridine dicarbanion-bonded Ag<sub>13</sub> organometallic nanoclusters: synthesis and on-surface oxidative coupling reaction.","Chemical science","2022","13","27","8095","8103","10.1039/d2sc00989g","","x-ray","1.54184","CuKα","","0.1665","0.1234","","","0.3387","0.3901","","","","","","1.195","","","","has coordinates","277099","2022-08-06","11:41:47",""
"1567109","6.8729","0.0007","8.3071","0.0009","8.8774","0.0008","77.25","0.009","88.991","0.008","75.454","0.009","478.12","0.09","172.97","0.1","172.97","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C14 H14 F6 N2 O6 S2 -","- C14 H14 F6 N2 O6 S2 -","- C14 H14 F6 N2 O6 S2 -","1","0.5","","Li, Cui-Cui; Zhang, Siqi; Tang, Jian; Jian, Ruijun; Xia, Yu; Zhao, Liang","Pyridine dicarbanion-bonded Ag<sub>13</sub> organometallic nanoclusters: synthesis and on-surface oxidative coupling reaction.","Chemical science","2022","13","27","8095","8103","10.1039/d2sc00989g","","x-ray","1.54184","CuKα","","0.0633","0.0565","","","0.1496","0.1583","","","","","","1.037","","","","has coordinates","277099","2022-08-06","11:41:47",""
"1567110","13.6223","0.0002","29.4112","0.0004","17.5734","0.0003","90","","111.122","0.002","90","","6567.72","0.19","173","0.1","173","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C51 H50 Ag F9 N16 O9 S3 -","- C51 H50 Ag F9 N16 O9 S3 -","- C204 H200 Ag4 F36 N64 O36 S12 -","4","1","","Li, Cui-Cui; Zhang, Siqi; Tang, Jian; Jian, Ruijun; Xia, Yu; Zhao, Liang","Pyridine dicarbanion-bonded Ag<sub>13</sub> organometallic nanoclusters: synthesis and on-surface oxidative coupling reaction.","Chemical science","2022","13","27","8095","8103","10.1039/d2sc00989g","","x-ray","1.54184","CuKα","","0.0631","0.0567","","","0.1602","0.1672","","","","","","1.034","","","","has coordinates","277099","2022-08-06","11:41:47",""
"1567111","38.1353","0.0005","21.9159","0.0004","25.6721","0.0003","90","","129.97","0.001","90","","16443.4","0.5","173","0.1","173","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C62 H55 Ag5 F9 N17 O9 S3 -","- C62 H55 Ag5 F9 N17 O9 S3 -","- C496 H440 Ag40 F72 N136 O72 S24 -","8","1","","Li, Cui-Cui; Zhang, Siqi; Tang, Jian; Jian, Ruijun; Xia, Yu; Zhao, Liang","Pyridine dicarbanion-bonded Ag<sub>13</sub> organometallic nanoclusters: synthesis and on-surface oxidative coupling reaction.","Chemical science","2022","13","27","8095","8103","10.1039/d2sc00989g","","x-ray","1.54178","CuKα","","0.056","0.0531","","","0.1625","0.1656","","","","","","1.061","","","","has coordinates,has disorder","277099","2022-08-06","11:41:47",""
"1567112","14.8014","0.0004","22.3158","0.0005","24.83","0.0006","84.932","0.002","76.949","0.002","73.121","0.002","7643.2","0.3","100","0.11","100","0.11","","","","","","","","7","P -1","-P 1","2","","","","- C59 H57 Ag5 F9 N17 O9 S3 -","- C59 H57 Ag5 F9 N17 O9 S3 -","- C236 H228 Ag20 F36 N68 O36 S12 -","4","2","","Li, Cui-Cui; Zhang, Siqi; Tang, Jian; Jian, Ruijun; Xia, Yu; Zhao, Liang","Pyridine dicarbanion-bonded Ag<sub>13</sub> organometallic nanoclusters: synthesis and on-surface oxidative coupling reaction.","Chemical science","2022","13","27","8095","8103","10.1039/d2sc00989g","","x-ray","1.54184","CuKα","","0.0878","0.0591","","","0.1229","0.1376","","","","","","1.02","","","","has coordinates,has disorder","277099","2022-08-06","11:41:47",""
"1567113","25.7535","0.0005","24.5293","0.0006","24.9163","0.0004","90","","91.174","0.002","90","","15736.7","0.6","173","0.1","173","0.1","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C57 H53 Ag5 F9 N17 O9 S3 -","- C57 H53 Ag5 F9 N17 O9 S3 -","- C456 H424 Ag40 F72 N136 O72 S24 -","8","1","","Li, Cui-Cui; Zhang, Siqi; Tang, Jian; Jian, Ruijun; Xia, Yu; Zhao, Liang","Pyridine dicarbanion-bonded Ag<sub>13</sub> organometallic nanoclusters: synthesis and on-surface oxidative coupling reaction.","Chemical science","2022","13","27","8095","8103","10.1039/d2sc00989g","","","1.54184","CuKα","","0.0918","0.0728","","","0.1979","0.2182","","","","","","1.031","","","","has coordinates,has disorder","277099","2022-08-06","11:41:47",""
"1567114","9.0344","0.0003","12.927","0.0004","15.428","0.0005","85.714","0.002","87.099","0.003","87.475","0.003","1792.99","0.1","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H22 F6 N2 O6 S2 -","- C18 H22 F6 N2 O6 S2 -","- C54 H66 F18 N6 O18 S6 -","3","1.5","","Li, Cui-Cui; Zhang, Siqi; Tang, Jian; Jian, Ruijun; Xia, Yu; Zhao, Liang","Pyridine dicarbanion-bonded Ag<sub>13</sub> organometallic nanoclusters: synthesis and on-surface oxidative coupling reaction.","Chemical science","2022","13","27","8095","8103","10.1039/d2sc00989g","","x-ray","1.54184","CuKα","","0.0767","0.0632","","","0.1682","0.1791","","","","","","1.0569","","","","has coordinates","277099","2022-08-06","11:41:47",""
"1567115","16.1557","0.0009","30.2077","0.0017","58.888","0.004","90","","90","","90","","28739","3","296","2","296.15","","","","","","","","","7","F d d d :2","-F 2uv 2vw","70","","","","- C72 H48 Ag13 F18 N6 O18 S6 -","- C72 H48 Ag13 F18 N6 O18 S6 -","- C576 H384 Ag104 F144 N48 O144 S48 -","8","0.25","","Li, Cui-Cui; Zhang, Siqi; Tang, Jian; Jian, Ruijun; Xia, Yu; Zhao, Liang","Pyridine dicarbanion-bonded Ag<sub>13</sub> organometallic nanoclusters: synthesis and on-surface oxidative coupling reaction.","Chemical science","2022","13","27","8095","8103","10.1039/d2sc00989g","","","0.71073","MoKα","","0.1873","0.134","","","0.3601","0.4086","","","","","","1.078","","","","has coordinates,has disorder","277099","2022-08-06","11:41:47",""
"1567133","8.1149","0.0002","9.1915","0.0003","10.8628","0.0004","68.232","0.003","78.44","0.002","81.264","0.002","734.51","0.04","300.58","0.1","300.58","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C17 H21 N O2 -","- C17 H21 N O2 -","- C34 H42 N2 O4 -","2","1","","Yu, Wan-Lei; Ren, Zi-Gang; Ma, Ke-Xing; Yang, Hui-Qing; Yang, Jun-Jie; Zheng, Haixue; Wu, Wangsuo; Xu, Peng-Fei","Cobalt-catalyzed chemoselective dehydrogenation through radical translocation under visible light.","Chemical science","2022","13","26","7947","7954","10.1039/d2sc02291e","","x-ray","1.54184","CuKα","","0.044","0.0418","","","0.1138","0.1156","","","","","","1.059","","","","has coordinates","277105","2022-08-06","11:44:06",""
"1567134","15.0187","0.0007","14.1539","0.0005","30.0583","0.0011","90","","90","","90","","6389.6","0.4","275","4","275","4","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C31 H32 Co N5 O4 Sn -","- C31 H34 Co N5 O4 Sn -","- C248 H272 Co8 N40 O32 Sn8 -","8","1","","Yu, Wan-Lei; Ren, Zi-Gang; Ma, Ke-Xing; Yang, Hui-Qing; Yang, Jun-Jie; Zheng, Haixue; Wu, Wangsuo; Xu, Peng-Fei","Cobalt-catalyzed chemoselective dehydrogenation through radical translocation under visible light.","Chemical science","2022","13","26","7947","7954","10.1039/d2sc02291e","","x-ray","0.71073","MoKα","","0.0733","0.0363","","","0.0759","0.0861","","","","","","1.035","","","","has coordinates,has disorder","277105","2022-08-06","11:44:06",""
"1567145","17.2901","0.0012","17.3047","0.0011","29.001","0.002","94.002","0.002","97.603","0.003","119.287","0.002","7410.1","0.9","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C102 H148 Ag16 Cl F15 N4 O16 S9 -","- C102 H148 Ag16 Cl F15 N4 O16 S9 -","- C204 H296 Ag32 Cl2 F30 N8 O32 S18 -","2","1","","Das, Anish Kumar; Biswas, Sourav; Manna, Surya Sekhar; Pathak, Biswarup; Mandal, Sukhendu","An atomically precise silver nanocluster for artificial light-harvesting system through supramolecular functionalization.","Chemical science","2022","13","28","8355","8364","10.1039/d2sc02786k","","","0.71073","MoKα","","0.2174","0.1059","","","0.2692","0.3334","","","","","","1.018","","","","has coordinates,has disorder","277094","2022-08-06","11:38:44",""
"1567146","17.533","0.0004","8.1217","0.0001","21.3907","0.0005","90","","111.63","0.003","90","","2831.5","0.12","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H42 Cl Ir N4 O P2 -","- C23 H42 Cl Ir N4 O P2 -","- C92 H168 Cl4 Ir4 N16 O4 P8 -","4","1","","Jain, Anant Kumar; Gau, Michael R.; Carroll, Patrick J.; Goldberg, Karen I.","The underappreciated influence of ancillary halide on metal-ligand proton tautomerism.","Chemical science","2022","13","26","7837","7845","10.1039/d2sc00279e","","x-ray","0.71073","MoKα","","0.0172","0.015","","","0.0335","0.034","","","","","","1.032","","","","has coordinates","277104","2022-08-06","11:43:55",""
"1567147","17.9499","0.0006","8.1504","0.0002","21.5003","0.0008","90","","110.968","0.004","90","","2937.18","0.18","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H42 I Ir N4 O P2 -","- C23 H42 I Ir N4 O P2 -","- C92 H168 I4 Ir4 N16 O4 P8 -","4","1","","Jain, Anant Kumar; Gau, Michael R.; Carroll, Patrick J.; Goldberg, Karen I.","The underappreciated influence of ancillary halide on metal-ligand proton tautomerism.","Chemical science","2022","13","26","7837","7845","10.1039/d2sc00279e","","x-ray","0.71073","MoKα","","0.0267","0.0216","","","0.0466","0.0478","","","","","","1.042","","","","has coordinates","288221","2023-12-11","22:20:44",""
"1567148","11.9445","0.0001","10.1985","0.0001","25.8721","0.0003","90","","94.016","0.001","90","","3143.9","0.05","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C25 H44 Cl3 Ir N4 O P2 -","- C25 H44 Cl3 Ir N4 O P2 -","- C100 H176 Cl12 Ir4 N16 O4 P8 -","4","1","","Jain, Anant Kumar; Gau, Michael R.; Carroll, Patrick J.; Goldberg, Karen I.","The underappreciated influence of ancillary halide on metal-ligand proton tautomerism.","Chemical science","2022","13","26","7837","7845","10.1039/d2sc00279e","","x-ray","0.71073","MoKα","","0.0182","0.0163","","","0.0335","0.034","","","","","","1.074","","","","has coordinates","277104","2022-08-06","11:43:56",""
"1567149","11.8995","0.0002","16.0723","0.0002","17.0807","0.0002","67.203","0.001","75.219","0.001","89.306","0.001","2898.06","0.07","100","","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H89 F2 Ir2 N9 O3 P4 -","- C48 H89 F2 Ir2 N9 O3 P4 -","- C96 H178 F4 Ir4 N18 O6 P8 -","2","1","","Jain, Anant Kumar; Gau, Michael R.; Carroll, Patrick J.; Goldberg, Karen I.","The underappreciated influence of ancillary halide on metal-ligand proton tautomerism.","Chemical science","2022","13","26","7837","7845","10.1039/d2sc00279e","","x-ray","0.71073","MoKα","","0.0508","0.0461","","","0.1235","0.1246","","","","","","1.358","","","","has coordinates","277104","2022-08-06","11:43:56",""
"1567150","13.2443","0.0002","16.1281","0.0003","16.2491","0.0003","77.427","0.001","82.219","0.001","84.357","0.001","3347.95","0.1","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C25 H48 F6 Ir N4 O P3 -","- C25 H48 F6 Ir N4 O P3 -","- C100 H192 F24 Ir4 N16 O4 P12 -","4","2","","Jain, Anant Kumar; Gau, Michael R.; Carroll, Patrick J.; Goldberg, Karen I.","The underappreciated influence of ancillary halide on metal-ligand proton tautomerism.","Chemical science","2022","13","26","7837","7845","10.1039/d2sc00279e","","x-ray","0.71073","MoKα","","0.0933","0.0649","","","0.1615","0.1766","","","","","","1.16","","","","has coordinates,has disorder","277104","2022-08-06","11:43:56",""
"1567151","17.7005","0.0004","8.1175","0.0001","21.384","0.0004","90","","111.189","0.002","90","","2864.81","0.1","100","","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H42 Br Ir N4 O P2 -","- C23 H42 Br Ir N4 O P2 -","- C92 H168 Br4 Ir4 N16 O4 P8 -","4","1","","Jain, Anant Kumar; Gau, Michael R.; Carroll, Patrick J.; Goldberg, Karen I.","The underappreciated influence of ancillary halide on metal-ligand proton tautomerism.","Chemical science","2022","13","26","7837","7845","10.1039/d2sc00279e","","x-ray","1.54184","CuKα","","0.0437","0.0397","","","0.112","0.1145","","","","","","1.121","","","","has coordinates","277104","2022-08-06","11:43:56",""
"1567152","12.0735","0.0002","10.6615","0.0002","23.5954","0.0004","90","","92.963","0.002","90","","3033.18","0.09","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H42 F6 Ir N4 O P3 -","- C23 H42 F6 Ir N4 O P3 -","- C92 H168 F24 Ir4 N16 O4 P12 -","4","1","","Jain, Anant Kumar; Gau, Michael R.; Carroll, Patrick J.; Goldberg, Karen I.","The underappreciated influence of ancillary halide on metal-ligand proton tautomerism.","Chemical science","2022","13","26","7837","7845","10.1039/d2sc00279e","","x-ray","0.71073","MoKα","","0.028","0.0206","","","0.0452","0.0467","","","","","","1.081","","","","has coordinates","277104","2022-08-06","11:43:56",""
"1567153","26.0183","0.0001","23.433","0.0001","31.3406","0.0002","90","","90","","90","","19107.9","0.16","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H45.5 Ir N5.5 O P2 -","- C26 H45.5 Ir N5.5 O P2 -","- C624 H1092 Ir24 N132 O24 P48 -","24","3","","Jain, Anant Kumar; Gau, Michael R.; Carroll, Patrick J.; Goldberg, Karen I.","The underappreciated influence of ancillary halide on metal-ligand proton tautomerism.","Chemical science","2022","13","26","7837","7845","10.1039/d2sc00279e","","x-ray","0.71073","MoKα","","0.0449","0.0394","","","0.0979","0.0996","","","","","","1.265","","","","has coordinates","277104","2022-08-06","11:43:56",""
"1567156","9.4559","0.0003","16.0249","0.0005","16.2168","0.0005","90","","90","","90","","2457.33","0.13","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H27 N O5 S -","- C30 H27 N O5 S -","- C120 H108 N4 O20 S4 -","4","1","","Yang, Liangkun; Li, Wang-Yuren; Hou, Liuzhen; Zhan, Tangyu; Cao, Weidi; Liu, Xiaohua; Feng, Xiaoming","NickelII-catalyzed asymmetric photoenolization/Mannich reaction of (2-alkylphenyl) ketones","Chemical Science","2022","13","29","8576","8582","10.1039/D2SC02721F","","","1.54178","CuKα","","0.0371","0.0355","","","0.0887","0.0906","","","","","","1.089","","","","has coordinates","277090","2022-08-06","11:37:45",""
"1567157","9.6145","0.0002","18.9746","0.0004","26.9615","0.0006","90","","90","","90","","4918.62","0.18","175","2","175","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C60 H50 N2 O8 S2 -","- C60 H50 N2 O8 S2 -","- C240 H200 N8 O32 S8 -","4","1","","Yang, Liangkun; Li, Wang-Yuren; Hou, Liuzhen; Zhan, Tangyu; Cao, Weidi; Liu, Xiaohua; Feng, Xiaoming","NickelII-catalyzed asymmetric photoenolization/Mannich reaction of (2-alkylphenyl) ketones","Chemical Science","2022","13","29","8576","8582","10.1039/D2SC02721F","","","1.54178","CuKα","","0.0333","0.0319","","","0.079","0.0812","","","","","","1.039","","","","has coordinates","277090","2022-08-06","11:37:45",""
"1567161","9.9824","0.0003","23.4742","0.0009","13.6413","0.0006","90","","94.6068","0.0017","90","","3186.2","0.2","296","2","296","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","RuBMP B2S","","- C29 H29 B2 Cl2 N2 P Ru S3 -","- C29 H29 B2 Cl2 N2 P Ru S3 -","- C116 H116 B8 Cl8 N8 P4 Ru4 S12 -","4","1","","Zafar, Mohammad; Ahmad, Asif; Saha, Suvam; Ramalakshmi, Rongala; Roisnel, Thierry; Ghosh, Sundargopal","Cooperative B–H bond activation: dual site borane activation by redox active κ2-N,S-chelated complexes","Chemical Science","2022","13","29","8567","8575","10.1039/D2SC00907B","","","0.71073","MoKα","","0.0508","0.0338","","","0.0659","0.074","","","","","","1.013","","","","has coordinates","277091","2022-08-06","11:38:02",""
"1567162","17.2497","0.0013","15.0068","0.001","19.7663","0.0014","90","","115.089","0.002","90","","4634","0.6","150","","150","","","","","","","","synthesis as described","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H45 B2 N2 P Ru S5 -","- C32 H45 B2 N2 P Ru S5 -","- C128 H180 B8 N8 P4 Ru4 S20 -","4","1","","Zafar, Mohammad; Ahmad, Asif; Saha, Suvam; Ramalakshmi, Rongala; Roisnel, Thierry; Ghosh, Sundargopal","Cooperative B–H bond activation: dual site borane activation by redox active κ2-N,S-chelated complexes","Chemical Science","2022","13","29","8567","8575","10.1039/D2SC00907B","","x-ray","0.71073","MoKα","","0.0472","0.0356","","","0.0775","0.0872","","","","","","1.136","","","","has coordinates,has disorder","277091","2022-08-06","11:38:02",""
"1567163","8.1421","0.0016","9.038","0.0016","11.991","0.002","91.746","0.005","95.358","0.006","91.618","0.005","877.7","0.3","297","2","297","2","","","","","","","","7","P -1","-P 1","2","","","","- C33 H36 B2 Cl2 N2 Ru S4 -","- C33 H36 B2 Cl2 N2 Ru S4 -","- C33 H36 B2 Cl2 N2 Ru S4 -","1","0.5","","Zafar, Mohammad; Ahmad, Asif; Saha, Suvam; Ramalakshmi, Rongala; Roisnel, Thierry; Ghosh, Sundargopal","Cooperative B–H bond activation: dual site borane activation by redox active κ2-N,S-chelated complexes","Chemical Science","2022","13","29","8567","8575","10.1039/D2SC00907B","","","0.71073","MoKα","","0.0565","0.0486","","","0.1137","0.1206","","","","","","1.129","","","","has coordinates,has disorder","277091","2022-08-06","11:38:02",""
"1567164","43.162","0.006","11.6075","0.0014","17.077","0.002","90","","94.107","0.005","90","","8533.7","1.9","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C40 H47 Cl2 N3 P Ru S6 -","- C40 H47 Cl2 N3 P Ru S6 -","- C320 H376 Cl16 N24 P8 Ru8 S48 -","8","1","","Zafar, Mohammad; Ahmad, Asif; Saha, Suvam; Ramalakshmi, Rongala; Roisnel, Thierry; Ghosh, Sundargopal","Cooperative B–H bond activation: dual site borane activation by redox active κ2-N,S-chelated complexes","Chemical Science","2022","13","29","8567","8575","10.1039/D2SC00907B","","","0.71073","MoKα","","0.1535","0.0622","","","0.119","0.1456","","","","","","0.82","","","","has coordinates,has disorder","277091","2022-08-06","11:38:02",""
"1567165","5.247","0.0002","8.2089","0.0002","28.1307","0.0009","90","","90","","90","","1211.65","0.07","149.99","0.1","149.99","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 O2 -","- C16 H14 O2 -","- C64 H56 O8 -","4","1","","Zhang, Chang-Sheng; Shao, Ya-Ping; Zhang, Fu-Min; Han, Xue; Zhang, Xiao-Ming; Zhang, Kun; Tu, Yong-Qiang","Cu(ii)/SPDO complex catalyzed asymmetric Baeyer-Villiger oxidation of 2-arylcyclobutanones and its application for the total synthesis of eupomatilones 5 and 6.","Chemical science","2022","13","28","8429","8435","10.1039/d2sc02079c","","x-ray","1.54184","CuKα","","0.0727","0.0687","","","0.1927","0.1994","","","","","","1.112","","","","has coordinates","277092","2022-08-06","11:38:15",""
"1567166","8.796","0.0002","10.4133","0.0002","10.7857","0.0002","90","","90","","90","","987.92","0.03","150","0.1","150","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H12 O3 -","- C12 H12 O3 -","- C48 H48 O12 -","4","1","","Zhang, Chang-Sheng; Shao, Ya-Ping; Zhang, Fu-Min; Han, Xue; Zhang, Xiao-Ming; Zhang, Kun; Tu, Yong-Qiang","Cu(ii)/SPDO complex catalyzed asymmetric Baeyer-Villiger oxidation of 2-arylcyclobutanones and its application for the total synthesis of eupomatilones 5 and 6.","Chemical science","2022","13","28","8429","8435","10.1039/d2sc02079c","","x-ray","1.54184","CuKα","","0.0307","0.0298","","","0.0924","0.0941","","","","","","0.877","","","","has coordinates","277092","2022-08-06","11:38:15",""
"1567167","5.9107","0.0001","13.8035","0.0003","15.3174","0.0003","90","","90","","90","","1249.72","0.04","150.01","0.1","150.01","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 O2 -","- C16 H14 O2 -","- C64 H56 O8 -","4","1","","Zhang, Chang-Sheng; Shao, Ya-Ping; Zhang, Fu-Min; Han, Xue; Zhang, Xiao-Ming; Zhang, Kun; Tu, Yong-Qiang","Cu(ii)/SPDO complex catalyzed asymmetric Baeyer-Villiger oxidation of 2-arylcyclobutanones and its application for the total synthesis of eupomatilones 5 and 6.","Chemical science","2022","13","28","8429","8435","10.1039/d2sc02079c","","x-ray","1.54184","CuKα","","0.048","0.0467","","","0.123","0.1242","","","","","","1.0551","","","","has coordinates","277092","2022-08-06","11:38:15",""
"1567168","8.6793","0.0001","22.7043","0.0003","11.0413","0.0001","90","","90","","90","","2175.77","0.04","298.23","0.1","298.23","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H24 O4 -","- C28 H24 O4 -","- C112 H96 O16 -","4","1","","Zhang, Chang-Sheng; Shao, Ya-Ping; Zhang, Fu-Min; Han, Xue; Zhang, Xiao-Ming; Zhang, Kun; Tu, Yong-Qiang","Cu(ii)/SPDO complex catalyzed asymmetric Baeyer-Villiger oxidation of 2-arylcyclobutanones and its application for the total synthesis of eupomatilones 5 and 6.","Chemical science","2022","13","28","8429","8435","10.1039/d2sc02079c","","x-ray","1.54184","CuKα","","0.0393","0.0368","","","0.101","0.1025","","","","","","1.066","","","","has coordinates","277092","2022-08-06","11:38:15",""
"1567169","7.8803","0.0002","9.7157","0.0002","10.6212","0.0002","94.241","0.001","94.434","0.002","111.794","0.002","748.16","0.03","303.15","0.1","303.15","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C14 H17 Br O5 -","- C14 H17 Br O5 -","- C28 H34 Br2 O10 -","2","1","","Zhang, Chang-Sheng; Shao, Ya-Ping; Zhang, Fu-Min; Han, Xue; Zhang, Xiao-Ming; Zhang, Kun; Tu, Yong-Qiang","Cu(ii)/SPDO complex catalyzed asymmetric Baeyer-Villiger oxidation of 2-arylcyclobutanones and its application for the total synthesis of eupomatilones 5 and 6.","Chemical science","2022","13","28","8429","8435","10.1039/d2sc02079c","","x-ray","1.54184","CuKα","","0.0327","0.0306","","","0.0819","0.0832","","","","","","1.068","","","","has coordinates","277092","2022-08-06","11:38:15",""
"1567184","9.05033","0.00013","11.72687","0.00018","16.30904","0.00019","94.4336","0.0011","96.4467","0.0011","108.884","0.0014","1615.45","0.04","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C22 H56 Al O P Si4 -","- C22 H56 Al O P Si4 -","- C44 H112 Al2 O2 P2 Si8 -","2","1","","Wickemeyer, Lucas; Aders, Niklas; Mix, Andreas; Neumann, Beate; Stammler, Hans-Georg; Cabrera-Trujillo, Jorge J; Fernández, Israel; Mitzel, Norbert W.","Carbon dioxide reduction by an Al-O-P frustrated Lewis pair.","Chemical science","2022","13","27","8088","8094","10.1039/d2sc01870e","","x-ray","1.54184","CuKα","","0.0329","0.032","","","0.0786","0.0793","","","","","","1.023","","","","has coordinates,has disorder","277098","2022-08-06","11:41:15",""
"1567185","11.738","0.002","28.6426","0.0013","11.8207","0.0018","90","","119.12","0.02","90","","3471.9","1.1","220","0.1","220","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H55 Al O3 P Si4 -","- C23 H55 Al O3 P Si4 -","- C92 H220 Al4 O12 P4 Si16 -","4","1","","Wickemeyer, Lucas; Aders, Niklas; Mix, Andreas; Neumann, Beate; Stammler, Hans-Georg; Cabrera-Trujillo, Jorge J; Fernández, Israel; Mitzel, Norbert W.","Carbon dioxide reduction by an Al-O-P frustrated Lewis pair.","Chemical science","2022","13","27","8088","8094","10.1039/d2sc01870e","","x-ray","0.71073","MoKα","","0.0936","0.0657","","","0.1914","0.2165","","","","","","1.035","","","","has coordinates,has disorder","277098","2022-08-06","11:41:15",""
"1567186","14.912","0.0003","9.33098","0.00017","17.8266","0.0005","90","","104.662","0.003","90","","2399.68","0.1","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H78 Al2 O4 Si8 -","- C30 H78 Al2 O4 Si8 -","- C60 H156 Al4 O8 Si16 -","2","0.5","","Wickemeyer, Lucas; Aders, Niklas; Mix, Andreas; Neumann, Beate; Stammler, Hans-Georg; Cabrera-Trujillo, Jorge J; Fernández, Israel; Mitzel, Norbert W.","Carbon dioxide reduction by an Al-O-P frustrated Lewis pair.","Chemical science","2022","13","27","8088","8094","10.1039/d2sc01870e","","x-ray","1.54184","CuKα","","0.0346","0.0337","","","0.0915","0.094","","","","","","1.058","","","","has coordinates","277098","2022-08-06","11:41:15",""
"1567187","12.51484","0.00016","16.89311","0.00017","17.04953","0.00018","84.6973","0.0008","76.7333","0.001","75.257","0.001","3390.6","0.07","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C23 H58 Al O3 P Si4 -","- C23 H58 Al O3 P Si4 -","- C92 H232 Al4 O12 P4 Si16 -","4","2","","Wickemeyer, Lucas; Aders, Niklas; Mix, Andreas; Neumann, Beate; Stammler, Hans-Georg; Cabrera-Trujillo, Jorge J; Fernández, Israel; Mitzel, Norbert W.","Carbon dioxide reduction by an Al-O-P frustrated Lewis pair.","Chemical science","2022","13","27","8088","8094","10.1039/d2sc01870e","","x-ray","1.54184","CuKα","","0.0269","0.0255","","","0.0686","0.0696","","","","","","1.033","","","","has coordinates,has disorder","277098","2022-08-06","11:41:15",""
"1567188","12.6477","0.0006","12.7165","0.0003","19.2801","0.001","90","","130.968","0.008","90","","2341.4","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H25 N3 O3 -","- C28 H25 N3 O3 -","- C112 H100 N12 O12 -","4","1","","Wang, Yue; Li, Er-Qing; Duan, Zheng","Ligand-dependent, palladium-catalyzed stereodivergent synthesis of chiral tetrahydroquinolines.","Chemical science","2022","13","27","8131","8136","10.1039/d2sc02771b","","x-ray","1.54184","CuKα","","0.0584","0.046","","","0.1212","0.1326","","","","","","1.03","","","","has coordinates","277097","2022-08-06","11:40:52",""
"1567189","8.8091","0.0001","14.2922","0.0001","15.6275","0.0002","90","","97.274","0.001","90","","1951.69","0.04","200","0.1","200","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C11 H10 N O P S -","- C10.25 H10.25 N0.25 P0.5 S0.25 -","- C82 H82 N2 P4 S2 -","8","4","","Wang, Yue; Li, Er-Qing; Duan, Zheng","Ligand-dependent, palladium-catalyzed stereodivergent synthesis of chiral tetrahydroquinolines.","Chemical science","2022","13","27","8131","8136","10.1039/d2sc02771b","","x-ray","1.54184","CuKα","","0.0436","0.0411","","","0.1134","0.1146","","","","","","1.055","","","","has coordinates","277097","2022-08-06","11:40:53",""
"1567190","8.647","0.003","20.509","0.007","8.854","0.0018","90","","101.501","0.013","90","","1538.7","0.8","298","","298","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H26 N3 O3 -","- C28 H26 N3 O3 -","- C56 H52 N6 O6 -","2","1","","Wang, Yue; Li, Er-Qing; Duan, Zheng","Ligand-dependent, palladium-catalyzed stereodivergent synthesis of chiral tetrahydroquinolines.","Chemical science","2022","13","27","8131","8136","10.1039/d2sc02771b","","","0.71073","MoKα","","0.0775","0.0653","","","0.1751","0.1925","","","","","","1.057","","","","has coordinates","277097","2022-08-06","11:40:54",""
"1567191","9.75496","0.00019","13.6686","0.0003","18.7757","0.0004","90","","90","","90","","2503.49","0.09","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H27 N3 O3 -","- C29 H27 N3 O3 -","- C116 H108 N12 O12 -","4","1","","Wang, Yue; Li, Er-Qing; Duan, Zheng","Ligand-dependent, palladium-catalyzed stereodivergent synthesis of chiral tetrahydroquinolines.","Chemical science","2022","13","27","8131","8136","10.1039/d2sc02771b","","x-ray","1.54184","CuKα","","0.0622","0.0474","","","0.1211","0.1354","","","","","","1.025","","","","has coordinates","277097","2022-08-06","11:40:54",""
"1567192","39.3006","0.0005","39.3006","0.0005","39.3006","0.0005","90","","90","","90","","60701.2","1.3","200","","200","","","","","","","","","6","F d -3 m :2","-F 4vw 2vw 3","227","","","","- C144 H82 N12 O32 S6 Zr6 -","- C144 H82 N12 O32 S6 Zr6 -","- C1152 H656 N96 O256 S48 Zr48 -","8","0.0416667","","Xia, Hai-Lun; Zhou, Kang; Wu, Shenjie; Ren, Daming; Xing, Kai; Guo, Jiandong; Wang, Xiaotai; Liu, Xiao-Yuan; Li, Jing","Building an emission library of donor-acceptor-donor type linker-based luminescent metal-organic frameworks.","Chemical science","2022","13","27","8036","8044","10.1039/d2sc02267b","","","1.54178","CuKα","","0.0608","0.0528","","","0.1621","0.1732","","","","","","1.122","","","","has coordinates,has disorder","277100","2022-08-06","11:42:29",""
"1567193","39.2392","0.0005","39.2392","0.0005","39.2392","0.0005","90","","90","","90","","60417.2","1.3","299","","299","","","","","","","","","6","F d -3 m :2","-F 4vw 2vw 3","227","","","","- C84 H44 N6 O16 S3 Zr3 -","- C84 H44 N6 O16 S3 Zr3 -","- C1344 H704 N96 O256 S48 Zr48 -","16","0.0833333","","Xia, Hai-Lun; Zhou, Kang; Wu, Shenjie; Ren, Daming; Xing, Kai; Guo, Jiandong; Wang, Xiaotai; Liu, Xiao-Yuan; Li, Jing","Building an emission library of donor-acceptor-donor type linker-based luminescent metal-organic frameworks.","Chemical science","2022","13","27","8036","8044","10.1039/d2sc02267b","","","1.54178","CuKα","","0.0478","0.0409","","","0.1194","0.1286","","","","","","1.097","","","","has coordinates,has disorder","277100","2022-08-06","11:42:31",""
"1567194","7.0203","0.0002","10.3506","0.0003","24.2607","0.0007","90","","95.442","0.001","90","","1754.94","0.09","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H10 N6 S Zn -","- C14 H10 N6 S Zn -","- C56 H40 N24 S4 Zn4 -","4","1","","Xia, Hai-Lun; Zhou, Kang; Wu, Shenjie; Ren, Daming; Xing, Kai; Guo, Jiandong; Wang, Xiaotai; Liu, Xiao-Yuan; Li, Jing","Building an emission library of donor-acceptor-donor type linker-based luminescent metal-organic frameworks.","Chemical science","2022","13","27","8036","8044","10.1039/d2sc02267b","","","1.54178","CuKα","","0.047","0.0393","","","0.1123","0.1187","","","","","","1.064","","","","has coordinates,has disorder","277100","2022-08-06","11:42:31",""
"1567195","16.549","0.0014","16.549","0.0014","12.4563","0.0012","90","","90","","90","","3411.4","0.5","190","","190","","","","","","","","","5","I 41","I 4bw","80","","","","- C12 H6 N6 S Zn -","- C12 H6 N6 S Zn -","- C96 H48 N48 S8 Zn8 -","8","1","","Xia, Hai-Lun; Zhou, Kang; Wu, Shenjie; Ren, Daming; Xing, Kai; Guo, Jiandong; Wang, Xiaotai; Liu, Xiao-Yuan; Li, Jing","Building an emission library of donor-acceptor-donor type linker-based luminescent metal-organic frameworks.","Chemical science","2022","13","27","8036","8044","10.1039/d2sc02267b","","","1.34139","GaKα","","0.077","0.0718","","","0.1839","0.1932","","","","","","1.093","","","","has coordinates","277100","2022-08-06","11:42:31",""
"1567196","10.4136","0.0003","15.0054","0.0004","15.7481","0.0004","88.538","0.002","87.931","0.001","81.423","0.001","2431.19","0.11","200","","200","","","","","","","","","6","P -1","-P 1","2","","","","- C112 H64 N16 O17 Se4 Zn4 -","- C112 H64 N16 O17 Se4 Zn4 -","- C112 H64 N16 O17 Se4 Zn4 -","1","0.5","","Xia, Hai-Lun; Zhou, Kang; Wu, Shenjie; Ren, Daming; Xing, Kai; Guo, Jiandong; Wang, Xiaotai; Liu, Xiao-Yuan; Li, Jing","Building an emission library of donor-acceptor-donor type linker-based luminescent metal-organic frameworks.","Chemical science","2022","13","27","8036","8044","10.1039/d2sc02267b","","","1.54178","CuKα","","0.0871","0.0732","","","0.1913","0.1998","","","","","","1.079","","","","has coordinates,has disorder","277100","2022-08-06","11:42:31",""
"1567197","10.4363","0.0008","15.0079","0.0011","15.7667","0.001","88.157","0.003","88.133","0.003","81.78","0.003","2441.9","0.3","298","","298","","","","","","","","","6","P -1","-P 1","2","","","","- C112 H64 N16 O17 S4 Zn4 -","- C112 H64 N16 O17 S4 Zn4 -","- C112 H64 N16 O17 S4 Zn4 -","1","0.5","","Xia, Hai-Lun; Zhou, Kang; Wu, Shenjie; Ren, Daming; Xing, Kai; Guo, Jiandong; Wang, Xiaotai; Liu, Xiao-Yuan; Li, Jing","Building an emission library of donor-acceptor-donor type linker-based luminescent metal-organic frameworks.","Chemical science","2022","13","27","8036","8044","10.1039/d2sc02267b","","","1.54178","CuKα","","0.0493","0.0451","","","0.1282","0.1326","","","","","","1.04","","","","has coordinates","277100","2022-08-06","11:42:31",""
"1567201","14.1418","0.0002","16.3515","0.0002","22.1403","0.0003","107.364","0.0013","92.5382","0.0012","108.194","0.0014","4588.44","0.12","140","0.1","140","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C60 H144 Cs N3 O16 Si8 U2 -","- C60 H144 Cs N3 O16 Si8 U2 -","- C120 H288 Cs2 N6 O32 Si16 U4 -","2","1","","Keener, Megan; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Zivkovic, Ivica; Mazzanti, Marinella","Nitrogen activation and cleavage by a multimetallic uranium complex.","Chemical science","2022","13","27","8025","8035","10.1039/d2sc02997a","","x-ray","1.54184","CuKα","","0.0262","0.0238","","","0.0509","0.0516","","","","","","1.073","","","","has coordinates,has disorder","277096","2022-08-06","11:40:22",""
"1567202","17.5895","0.0002","26.3839","0.0004","21.325","0.0003","90","","99.763","0.001","90","","9753.2","0.2","140","0.1","140","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C67 H152 K3 N5 O16 Si8 U2 -","- C67 H152 K3 N5 O16 Si8 U2 -","- C268 H608 K12 N20 O64 Si32 U8 -","4","1","","Keener, Megan; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Zivkovic, Ivica; Mazzanti, Marinella","Nitrogen activation and cleavage by a multimetallic uranium complex.","Chemical science","2022","13","27","8025","8035","10.1039/d2sc02997a","","x-ray","1.54184","CuKα","","0.1279","0.1007","","","0.2701","0.2894","","","","","","1.035","","","","has coordinates,has disorder","277096","2022-08-06","11:40:25",""
"1567203","13.9128","0.0005","16.1167","0.0006","21.8294","0.001","80.346","0.004","83.8","0.004","71.074","0.004","4557","0.3","140","0.1","140","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C60 H144 Cs N3 O16 Si8 U2 -","- C60 H144 Cs N3 O16 Si8 U2 -","- C120 H288 Cs2 N6 O32 Si16 U4 -","2","1","","Keener, Megan; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Zivkovic, Ivica; Mazzanti, Marinella","Nitrogen activation and cleavage by a multimetallic uranium complex.","Chemical science","2022","13","27","8025","8035","10.1039/d2sc02997a","","x-ray","1.54184","CuKα","","0.0939","0.0488","","","0.092","0.1075","","","","","","0.969","","","","has coordinates,has disorder","277096","2022-08-06","11:40:25",""
"1567204","13.707","0.0002","13.7678","0.0002","29.7454","0.0004","94.2273","0.0011","97.0402","0.0012","117.487","0.0016","4887.79","0.14","140","0.1","140","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C60 H144 Cs2 N3 O16 Si8 U2 -","- C60 H144 Cs2 N3 O16 Si8 U2 -","- C120 H288 Cs4 N6 O32 Si16 U4 -","2","1","","Keener, Megan; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Zivkovic, Ivica; Mazzanti, Marinella","Nitrogen activation and cleavage by a multimetallic uranium complex.","Chemical science","2022","13","27","8025","8035","10.1039/d2sc02997a","","x-ray","1.54184","CuKα","","0.0591","0.0451","","","0.1071","0.1116","","","","","","1.056","","","","has coordinates","277096","2022-08-06","11:40:25",""
"1567205","20.57855","0.00015","19.40862","0.00016","26.9671","0.0002","90","","91.6235","0.0008","90","","10766.4","0.14","140","0.1","140","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C72 H174 K2 N5 O14 Si10 U2 -","- C72 H174 K2 N5 O14 Si10 U2 -","- C288 H696 K8 N20 O56 Si40 U8 -","4","1","","Keener, Megan; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Zivkovic, Ivica; Mazzanti, Marinella","Nitrogen activation and cleavage by a multimetallic uranium complex.","Chemical science","2022","13","27","8025","8035","10.1039/d2sc02997a","","x-ray","1.54184","CuKα","","0.0488","0.0413","","","0.0981","0.1031","","","","","","1.022","","","","has coordinates,has disorder","277096","2022-08-06","11:40:25",""
"1567206","12.81649","0.00007","23.44652","0.0001","27.38157","0.00013","90","","100.985","0.0005","90","","8077.44","0.07","140","0.1","140","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C49.2 H129 K N5 O8.3 Si10 U2 -","- C49.2 H129 K N5 O8.3 Si10 U2 -","- C196.8 H516 K4 N20 O33.2 Si40 U8 -","4","1","","Keener, Megan; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Zivkovic, Ivica; Mazzanti, Marinella","Nitrogen activation and cleavage by a multimetallic uranium complex.","Chemical science","2022","13","27","8025","8035","10.1039/d2sc02997a","","x-ray","1.54184","CuKα","","0.0231","0.0223","","","0.0552","0.0557","","","","","","1.114","","","","has coordinates,has disorder","277096","2022-08-06","11:40:25",""
"1567207","15.102","0.0006","29.934","0.0016","27.0037","0.0008","90","","99.035","0.004","90","","12055.9","0.9","139.99","0.1","139.99","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C66 H162 K6 N6 O16 Si10 U2 -","- C66 H162 K6 N6 O16 Si10 U2 -","- C264 H648 K24 N24 O64 Si40 U8 -","4","1","","Keener, Megan; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Zivkovic, Ivica; Mazzanti, Marinella","Nitrogen activation and cleavage by a multimetallic uranium complex.","Chemical science","2022","13","27","8025","8035","10.1039/d2sc02997a","","x-ray","1.54184","CuKα","","0.1567","0.0863","","","0.2043","0.2436","","","","","","1.021","","","","has coordinates","277096","2022-08-06","11:40:25",""
"1567208","13.8976","0.0004","14.741","0.0004","18.5692","0.0004","106.635","0.002","103.811","0.002","95.243","0.002","3487.04","0.17","139.99","0.1","139.99","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C84 H198 K2 N9 O20 Si10 U2 -","- C84 H198 K2 N9 O20 Si10 U2 -","- C84 H198 K2 N9 O20 Si10 U2 -","1","0.5","","Keener, Megan; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Zivkovic, Ivica; Mazzanti, Marinella","Nitrogen activation and cleavage by a multimetallic uranium complex.","Chemical science","2022","13","27","8025","8035","10.1039/d2sc02997a","","x-ray","1.54184","CuKα","","0.0634","0.0592","","","0.1574","0.1614","","","","","","1.03","","","","has coordinates,has disorder","277096","2022-08-06","11:40:25",""
"1567209","14.1046","0.0003","16.153","0.0004","22.2432","0.0005","108.265","0.002","92.266","0.002","107.449","0.002","4540.8","0.2","140","0.1","140","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C60 H144 K N3 O16 Si8 U2 -","- C60 H144 K N3 O16 Si8 U2 -","- C120 H288 K2 N6 O32 Si16 U4 -","2","1","","Keener, Megan; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Zivkovic, Ivica; Mazzanti, Marinella","Nitrogen activation and cleavage by a multimetallic uranium complex.","Chemical science","2022","13","27","8025","8035","10.1039/d2sc02997a","","x-ray","1.54184","CuKα","","0.0624","0.0511","","","0.1447","0.1506","","","","","","1.056","","","","has coordinates,has disorder","277096","2022-08-06","11:40:25",""
"1567210","13.65686","0.00016","17.961","0.0002","20.0238","0.0002","93.8055","0.0009","91.6994","0.0009","112.135","0.0011","4531.67","0.09","140","0.1","140","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C96 H234 K6 N10 O24 Si14 U4 -","- C96 H234 K6 N10 O24 Si14 U4 -","- C96 H234 K6 N10 O24 Si14 U4 -","1","0.5","","Keener, Megan; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Zivkovic, Ivica; Mazzanti, Marinella","Nitrogen activation and cleavage by a multimetallic uranium complex.","Chemical science","2022","13","27","8025","8035","10.1039/d2sc02997a","","x-ray","1.54184","CuKα","","0.0415","0.0336","","","0.0881","0.0909","","","","","","1.08","","","","has coordinates,has disorder","277096","2022-08-06","11:40:25",""
"1567211","13.5839","0.0004","20.4057","0.0006","22.3874","0.0007","66.602","0.003","83.686","0.003","85.153","0.003","5655","0.3","140.01","0.1","140.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C36 H90 K N2 O8 Si6 U -","- C36 H90 K N2 O8 Si6 U -","- C144 H360 K4 N8 O32 Si24 U4 -","4","2","","Keener, Megan; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Zivkovic, Ivica; Mazzanti, Marinella","Nitrogen activation and cleavage by a multimetallic uranium complex.","Chemical science","2022","13","27","8025","8035","10.1039/d2sc02997a","","x-ray","1.54184","CuKα","","0.038","0.0289","","","0.066","0.0709","","","","","","1.016","","","","has coordinates,has disorder","277096","2022-08-06","11:40:25",""
"1567212","14.10134","0.0001","30.68723","0.00018","46.2387","0.0003","90","","92.8994","0.0007","90","","19983.3","0.2","140","0.1","140","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C66 H158 K2 N3 O16 Si8 U2 -","- C66 H158 K2 N3 O16 Si8 U2 -","- C528 H1264 K16 N24 O128 Si64 U16 -","8","2","","Keener, Megan; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Zivkovic, Ivica; Mazzanti, Marinella","Nitrogen activation and cleavage by a multimetallic uranium complex.","Chemical science","2022","13","27","8025","8035","10.1039/d2sc02997a","","x-ray","1.54184","CuKα","","0.0953","0.0839","","","0.2147","0.2218","","","","","","1.059","","","","has coordinates,has disorder","277096","2022-08-06","11:40:25",""
"1567276","40.568","0.002","41.959","0.002","19.6114","0.0013","90","","90","","90","","33382","3","250","","250","","","","","","","","","7","C m m m","-C 2 2","65","","","","- C232 H122 F16 N20 O48 S5 Y12 -","- C232 H122 F16 N20 O48 S5 Y12 -","- C464 H244 F32 N40 O96 S10 Y24 -","2","0.125","","Xia, Hai-Lun; Zhou, Kang; Guo, Jiandong; Zhang, Jian; Huang, Xiaoxi; Luo, Dawei; Liu, Xiao-Yuan; Li, Jing","Amino group induced structural diversity and near-infrared emission of yttrium-tetracarboxylate frameworks","Chemical Science","2022","13","32","9321","9328","10.1039/D2SC02683J","","","1.54178","CuKα","","0.0743","0.0589","","","0.1711","0.1807","","","","","","0.95","","","","has coordinates,has disorder","277650","2022-09-06","09:51:26",""
"1567277","21.358","0.01","35.038","0.016","20.494","0.009","90","","90","","90","","15337","12","173","","173","","","","","","","","","7","C m m m","-C 2 2","65","","","","- C47.48 H22.51 F4 N3 O12.97 S Y3 -","- C47.453 H23.453 F4 N3 O12.906 S Y3 -","- C189.812 H93.812 F16 N12 O51.624 S4 Y12 -","4","0.25","","Xia, Hai-Lun; Zhou, Kang; Guo, Jiandong; Zhang, Jian; Huang, Xiaoxi; Luo, Dawei; Liu, Xiao-Yuan; Li, Jing","Amino group induced structural diversity and near-infrared emission of yttrium-tetracarboxylate frameworks","Chemical Science","2022","13","32","9321","9328","10.1039/D2SC02683J","","","1.34139","GaKα","","0.1227","0.0853","","","0.223","0.253","","","","","","0.922","","","","has coordinates,has disorder","277650","2022-09-06","09:51:27",""
"1567283","8.4884","0.0017","6.7183","0.0013","11.755","0.002","90","","108.39","0.03","90","","636.1","0.2","100","2","100","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C15 H16 N2 O2 -","- C15 H16 N2 O2 -","- C30 H32 N4 O4 -","2","0.5","","Heck, Joshua; Metz, Fabian; Buchenau, Sören; Teubner, Melissa; Grimm-Lebsanft, Benjamin; Spaniol, Thomas P.; Hoffmann, Alexander; Rübhausen, Michael A.; Herres-Pawlis, Sonja","Manipulating electron transfer – the influence of substituents on novel copper guanidine quinolinyl complexes","Chemical Science","2022","13","28","8274","8288","10.1039/D2SC02910C","","x-ray","0.71073","MoKα","","0.0645","0.0412","","","0.1132","0.1213","","","","","","1.021","","","","has coordinates","276801","2022-07-22","22:46:27",""
"1567284","22.442","0.005","10.441","0.002","41.64","0.014","90","","91.84","0.03","90","","9752","4","100","2","100","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C30 H40 Cu F6 N8 P -","- C30 H40 Cu F6 N8 P -","- C360 H480 Cu12 F72 N96 P12 -","12","1.5","","Heck, Joshua; Metz, Fabian; Buchenau, Sören; Teubner, Melissa; Grimm-Lebsanft, Benjamin; Spaniol, Thomas P.; Hoffmann, Alexander; Rübhausen, Michael A.; Herres-Pawlis, Sonja","Manipulating electron transfer – the influence of substituents on novel copper guanidine quinolinyl complexes","Chemical Science","2022","13","28","8274","8288","10.1039/D2SC02910C","","x-ray","0.71073","MoKα","","0.0791","0.0682","","","0.1684","0.1757","","","","","","1.095","","","","has coordinates","276801","2022-07-22","22:46:27",""
"1567285","15.194","0.003","11.576","0.002","8.9945","0.0018","90","","90","","90","","1582","0.5","100","2","100","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C16 H23 N5 -","- C16 H23 N5 -","- C64 H92 N20 -","4","1","","Heck, Joshua; Metz, Fabian; Buchenau, Sören; Teubner, Melissa; Grimm-Lebsanft, Benjamin; Spaniol, Thomas P.; Hoffmann, Alexander; Rübhausen, Michael A.; Herres-Pawlis, Sonja","Manipulating electron transfer – the influence of substituents on novel copper guanidine quinolinyl complexes","Chemical Science","2022","13","28","8274","8288","10.1039/D2SC02910C","","x-ray","0.71073","MoKα","","0.0428","0.0387","","","0.0956","0.0994","","","","","","1.083","","","","has coordinates","276801","2022-07-22","22:46:27",""
"1567286","10.318","0.002","12.507","0.003","16.034","0.003","98.43","0.03","95.28","0.03","113.19","0.03","1855.7","0.9","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H40 Cu F6 N8 O6 S2 -","- C32 H40 Cu F6 N8 O6 S2 -","- C64 H80 Cu2 F12 N16 O12 S4 -","2","1","","Heck, Joshua; Metz, Fabian; Buchenau, Sören; Teubner, Melissa; Grimm-Lebsanft, Benjamin; Spaniol, Thomas P.; Hoffmann, Alexander; Rübhausen, Michael A.; Herres-Pawlis, Sonja","Manipulating electron transfer – the influence of substituents on novel copper guanidine quinolinyl complexes","Chemical Science","2022","13","28","8274","8288","10.1039/D2SC02910C","","","0.71073","MoKα","","0.1122","0.0616","","","0.1663","0.226","","","","","","1.065","","","","has coordinates","276801","2022-07-22","22:46:28",""
"1567287","22.769","0.005","10.613","0.002","42.709","0.017","90","","90.75","0.03","90","","10320","5","240","2","240","","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C31 H40 Cu F3 N8 O3 S -","- C31 H40 Cu F3 N8 O3 S -","- C372 H480 Cu12 F36 N96 O36 S12 -","12","1.5","","Heck, Joshua; Metz, Fabian; Buchenau, Sören; Teubner, Melissa; Grimm-Lebsanft, Benjamin; Spaniol, Thomas P.; Hoffmann, Alexander; Rübhausen, Michael A.; Herres-Pawlis, Sonja","Manipulating electron transfer – the influence of substituents on novel copper guanidine quinolinyl complexes","Chemical Science","2022","13","28","8274","8288","10.1039/D2SC02910C","","x-ray","0.71073","MoKα","","0.1187","0.0527","","","0.1128","0.1277","","","","","","0.922","","","","has coordinates,has disorder","276801","2022-07-22","22:46:28",""
"1567288","6.8997","0.0014","10.446","0.002","12.234","0.002","103.63","0.03","98.86","0.03","93.79","0.03","841.9","0.3","100","2","100","","","","","","","","","3","P -1","-P 1","2","","","","- C18 H26 N4 -","- C18 H26 N4 -","- C36 H52 N8 -","2","1","","Heck, Joshua; Metz, Fabian; Buchenau, Sören; Teubner, Melissa; Grimm-Lebsanft, Benjamin; Spaniol, Thomas P.; Hoffmann, Alexander; Rübhausen, Michael A.; Herres-Pawlis, Sonja","Manipulating electron transfer – the influence of substituents on novel copper guanidine quinolinyl complexes","Chemical Science","2022","13","28","8274","8288","10.1039/D2SC02910C","","x-ray","1.54186","CuKα","","0.0582","0.0507","","","0.1285","0.137","","","","","","1.098","","","","has coordinates","276801","2022-07-22","22:46:28",""
"1567289","13.585","0.003","25.27","0.005","12.065","0.002","90","","91.75","0.03","90","","4139.9","1.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H46 B2 Cu F8 N10 O4 -","- C36 H46 B2 Cu F8 N10 O4 -","- C144 H184 B8 Cu4 F32 N40 O16 -","4","1","","Heck, Joshua; Metz, Fabian; Buchenau, Sören; Teubner, Melissa; Grimm-Lebsanft, Benjamin; Spaniol, Thomas P.; Hoffmann, Alexander; Rübhausen, Michael A.; Herres-Pawlis, Sonja","Manipulating electron transfer – the influence of substituents on novel copper guanidine quinolinyl complexes","Chemical Science","2022","13","28","8274","8288","10.1039/D2SC02910C","","","0.71073","MoKα","","0.073","0.0474","","","0.1099","0.1211","","","","","","1.026","","","","has coordinates","276801","2022-07-22","22:46:28",""
"1567290","13.117","0.003","13.265","0.003","15.609","0.003","73.5","0.03","76.04","0.03","61.06","0.03","2261.4","1.1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C41 H58 Cl2 Cu F6 N8 P -","- C41 H58 Cl2 Cu F6 N8 P -","- C82 H116 Cl4 Cu2 F12 N16 P2 -","2","1","","Heck, Joshua; Metz, Fabian; Buchenau, Sören; Teubner, Melissa; Grimm-Lebsanft, Benjamin; Spaniol, Thomas P.; Hoffmann, Alexander; Rübhausen, Michael A.; Herres-Pawlis, Sonja","Manipulating electron transfer – the influence of substituents on novel copper guanidine quinolinyl complexes","Chemical Science","2022","13","28","8274","8288","10.1039/D2SC02910C","","","0.71073","MoKα","","0.0997","0.0565","","","0.1246","0.1429","","","","","","1.032","","","","has coordinates,has disorder","276801","2022-07-22","22:46:28",""
"1567291","7.76","0.0016","13.9","0.003","32.3","0.007","90","","92.6","0.03","90","","3480.4","1.3","100","2","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H40 Cu F6 N8 O4 P -","- C32 H40 Cu F6 N8 O4 P -","- C128 H160 Cu4 F24 N32 O16 P4 -","4","1","","Heck, Joshua; Metz, Fabian; Buchenau, Sören; Teubner, Melissa; Grimm-Lebsanft, Benjamin; Spaniol, Thomas P.; Hoffmann, Alexander; Rübhausen, Michael A.; Herres-Pawlis, Sonja","Manipulating electron transfer – the influence of substituents on novel copper guanidine quinolinyl complexes","Chemical Science","2022","13","28","8274","8288","10.1039/D2SC02910C","","x-ray","1.54186","CuKα","","0.0785","0.0756","","","0.2068","0.2097","","","","","","1.052","","","","has coordinates","276801","2022-07-22","22:46:28",""
"1567292","6.8391","0.0014","14.447","0.003","15.756","0.003","64.51","0.03","89.05","0.03","86.95","0.03","1403.2","0.6","100","2","100","","","","","","","","","3","P -1","-P 1","2","","","","- C15 H20 N4 -","- C15 H20 N4 -","- C60 H80 N16 -","4","2","","Heck, Joshua; Metz, Fabian; Buchenau, Sören; Teubner, Melissa; Grimm-Lebsanft, Benjamin; Spaniol, Thomas P.; Hoffmann, Alexander; Rübhausen, Michael A.; Herres-Pawlis, Sonja","Manipulating electron transfer – the influence of substituents on novel copper guanidine quinolinyl complexes","Chemical Science","2022","13","28","8274","8288","10.1039/D2SC02910C","","x-ray","0.71073","MoKα","","0.0662","0.0537","","","0.1333","0.1448","","","","","","1.156","","","","has coordinates","276801","2022-07-22","22:46:28",""
"1567293","11.779","0.002","19.544","0.004","15.389","0.003","90","","94.9","0.03","90","","3529.7","1.2","100","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H46 B Cu F4 N10 -","- C32 H46 B Cu F4 N10 -","- C128 H184 B4 Cu4 F16 N40 -","4","1","","Heck, Joshua; Metz, Fabian; Buchenau, Sören; Teubner, Melissa; Grimm-Lebsanft, Benjamin; Spaniol, Thomas P.; Hoffmann, Alexander; Rübhausen, Michael A.; Herres-Pawlis, Sonja","Manipulating electron transfer – the influence of substituents on novel copper guanidine quinolinyl complexes","Chemical Science","2022","13","28","8274","8288","10.1039/D2SC02910C","","x-ray","1.54186","CuKα","","0.0948","0.0827","","","0.2132","0.2288","","","","","","1.128","","","","has coordinates","276801","2022-07-22","22:46:28",""
"1567294","17.171","0.003","8.9412","0.0018","22.701","0.005","90","","108.94","0.03","90","","3296.6","1.3","100","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H40 B2 Cu F8 N8 -","- C30 H40 B2 Cu F8 N8 -","- C120 H160 B8 Cu4 F32 N32 -","4","1","","Heck, Joshua; Metz, Fabian; Buchenau, Sören; Teubner, Melissa; Grimm-Lebsanft, Benjamin; Spaniol, Thomas P.; Hoffmann, Alexander; Rübhausen, Michael A.; Herres-Pawlis, Sonja","Manipulating electron transfer – the influence of substituents on novel copper guanidine quinolinyl complexes","Chemical Science","2022","13","28","8274","8288","10.1039/D2SC02910C","","x-ray","0.71073","MoKα","","0.1012","0.0857","","","0.2129","0.2265","","","","","","1.081","","","","has coordinates","276801","2022-07-22","22:46:28",""
"1567295","12.407","0.003","21.571","0.004","16.723","0.003","90","","90","","90","","4475.6","1.6","100","2","100","","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C42 H56 Cu F6 N8 O6 S2 -","- C42 H56 Cu F6 N8 O6 S2 -","- C168 H224 Cu4 F24 N32 O24 S8 -","4","0.5","","Heck, Joshua; Metz, Fabian; Buchenau, Sören; Teubner, Melissa; Grimm-Lebsanft, Benjamin; Spaniol, Thomas P.; Hoffmann, Alexander; Rübhausen, Michael A.; Herres-Pawlis, Sonja","Manipulating electron transfer – the influence of substituents on novel copper guanidine quinolinyl complexes","Chemical Science","2022","13","28","8274","8288","10.1039/D2SC02910C","","x-ray","0.71073","MoKα","","0.0564","0.0511","","","0.1129","0.116","","","","","","1.217","","","","has coordinates","276801","2022-07-22","22:46:28",""
"1567296","13.547","0.003","12.641","0.003","26.447","0.005","90","","93.99","0.03","90","","4518","1.7","100","2","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38 H46 Cu F6 N10 O10 S2 -","- C38 H46 Cu F6 N10 O10 S2 -","- C152 H184 Cu4 F24 N40 O40 S8 -","4","1","","Heck, Joshua; Metz, Fabian; Buchenau, Sören; Teubner, Melissa; Grimm-Lebsanft, Benjamin; Spaniol, Thomas P.; Hoffmann, Alexander; Rübhausen, Michael A.; Herres-Pawlis, Sonja","Manipulating electron transfer – the influence of substituents on novel copper guanidine quinolinyl complexes","Chemical Science","2022","13","28","8274","8288","10.1039/D2SC02910C","","x-ray","0.71073","MoKα","","0.0892","0.0426","","","0.1006","0.1104","","","","","","0.931","","","","has coordinates","276801","2022-07-22","22:46:29",""
"1567297","12.27","0.003","19.141","0.004","36.523","0.007","90","","90","","90","","8578","3","100","2","100","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C34 H46 Cu F6 N10 O6 S2 -","- C34 H46 Cu F6 N10 O6 S2 -","- C272 H368 Cu8 F48 N80 O48 S16 -","8","1","","Heck, Joshua; Metz, Fabian; Buchenau, Sören; Teubner, Melissa; Grimm-Lebsanft, Benjamin; Spaniol, Thomas P.; Hoffmann, Alexander; Rübhausen, Michael A.; Herres-Pawlis, Sonja","Manipulating electron transfer – the influence of substituents on novel copper guanidine quinolinyl complexes","Chemical Science","2022","13","28","8274","8288","10.1039/D2SC02910C","","x-ray","0.71073","MoKα","","0.0793","0.065","","","0.1568","0.171","","","","","","1.094","","","","has coordinates","276801","2022-07-22","22:46:29",""
"1567298","14.04416","0.00015","29.0153","0.0003","27.517","0.0003","90","","91.0486","0.0009","90","","11211.2","0.2","140","0.1","140","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C78 H176 O25 Rb2 Si6 U2 -","- C78 H176 O25 Rb2 Si6 U2 -","- C312 H704 O100 Rb8 Si24 U8 -","4","1","","Jori, Nadir; Rajeshkumar, Thayalan; Scopelliti, Rosario; Z̆ivković, Ivica; Sienkiewicz, Andrzej; Maron, Laurent; Mazzanti, Marinella","Cation assisted binding and cleavage of dinitrogen by uranium complexes","Chemical Science","2022","13","32","9232","9242","10.1039/D2SC02530B","","x-ray","1.54184","CuKα","","0.0609","0.0555","","","0.1551","0.1592","","","","","","1.092","","","","has coordinates,has disorder","277654","2022-09-06","09:54:35",""
"1567299","13.7997","0.0011","16.508","0.0011","25.0252","0.0018","71.888","0.006","81.133","0.006","71.005","0.006","5114.5","0.7","140","0.1","140","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C72 H162 O25 Rb Si6 U2 -","- C72 H162 O25 Rb Si6 U2 -","- C144 H324 O50 Rb2 Si12 U4 -","2","1","","Jori, Nadir; Rajeshkumar, Thayalan; Scopelliti, Rosario; Z̆ivković, Ivica; Sienkiewicz, Andrzej; Maron, Laurent; Mazzanti, Marinella","Cation assisted binding and cleavage of dinitrogen by uranium complexes","Chemical Science","2022","13","32","9232","9242","10.1039/D2SC02530B","","x-ray","1.54184","CuKα","","0.2321","0.0858","","","0.187","0.2326","","","","","","0.922","","","","has coordinates","277654","2022-09-06","09:54:36",""
"1567300","13.8302","0.0003","31.0949","0.0004","14.0653","0.0004","90","","118.148","0.003","90","","5333.4","0.3","140","0.1","140","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C72 H162 Na O25 Si6 U2 -","- C72 H162 Na O25 Si6 U2 -","- C144 H324 Na2 O50 Si12 U4 -","2","1","","Jori, Nadir; Rajeshkumar, Thayalan; Scopelliti, Rosario; Z̆ivković, Ivica; Sienkiewicz, Andrzej; Maron, Laurent; Mazzanti, Marinella","Cation assisted binding and cleavage of dinitrogen by uranium complexes","Chemical Science","2022","13","32","9232","9242","10.1039/D2SC02530B","","x-ray","1.54184","CuKα","","0.0895","0.0809","","","0.2189","0.2285","","","","","","1.052","","","","has coordinates","277654","2022-09-06","09:54:36",""
"1567301","14.3992","0.0005","14.5329","0.0005","30.7352","0.0007","88.132","0.002","79.13","0.002","60.661","0.003","5492.7","0.3","140","0.3","140","0.3","","","","","","","","6","P -1","-P 1","2","","","","- C79 H170 Cs2 O26 Si6 U2 -","- C79 H170 Cs2 O26 Si6 U2 -","- C158 H340 Cs4 O52 Si12 U4 -","2","1","","Jori, Nadir; Rajeshkumar, Thayalan; Scopelliti, Rosario; Z̆ivković, Ivica; Sienkiewicz, Andrzej; Maron, Laurent; Mazzanti, Marinella","Cation assisted binding and cleavage of dinitrogen by uranium complexes","Chemical Science","2022","13","32","9232","9242","10.1039/D2SC02530B","","x-ray","0.71073","MoKα","","0.0644","0.0542","","","0.1043","0.1074","","","","","","1.19","","","","has coordinates,has disorder","277654","2022-09-06","09:54:36",""
"1567302","14.484","0.0002","17.573","0.0003","25.4883","0.0004","79.6962","0.0013","89.4157","0.0013","67.026","0.0016","5863.83","0.18","140","0.1","140","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C86 H178 O26 Rb2 Si6 U2 -","- C86 H178 O26 Rb2 Si6 U2 -","- C172 H356 O52 Rb4 Si12 U4 -","2","1","","Jori, Nadir; Rajeshkumar, Thayalan; Scopelliti, Rosario; Z̆ivković, Ivica; Sienkiewicz, Andrzej; Maron, Laurent; Mazzanti, Marinella","Cation assisted binding and cleavage of dinitrogen by uranium complexes","Chemical Science","2022","13","32","9232","9242","10.1039/D2SC02530B","","x-ray","1.54184","CuKα","","0.0426","0.0391","","","0.1058","0.1093","","","","","","1.06","","","","has coordinates,has disorder","277654","2022-09-06","09:54:36",""
"1567303","14.2492","0.0003","30.7972","0.0006","30.9557","0.0005","115.848","0.0018","95.2709","0.0016","98.8528","0.0018","11885.2","0.5","219.99","0.1","219.99","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C144 H324 Cs8 N4 O50 Si12 U4 -","- C144 H324 Cs8 N4 O50 Si12 U4 -","- C288 H648 Cs16 N8 O100 Si24 U8 -","2","1","","Jori, Nadir; Rajeshkumar, Thayalan; Scopelliti, Rosario; Z̆ivković, Ivica; Sienkiewicz, Andrzej; Maron, Laurent; Mazzanti, Marinella","Cation assisted binding and cleavage of dinitrogen by uranium complexes","Chemical Science","2022","13","32","9232","9242","10.1039/D2SC02530B","","x-ray","1.54184","CuKα","","0.1044","0.0645","","","0.1541","0.1807","","","","","","0.963","","","","has coordinates","277654","2022-09-06","09:54:36",""
"1567304","14.0149","0.0003","17.5229","0.0003","24.7263","0.0006","83.4471","0.0018","83.4537","0.0019","70.099","0.002","5654","0.2","140","0.1","140","0.1","","","","","","","","7","P 1","P 1","1","","","","- C72 H162 N2 O25 Rb2 Si6 U2 -","- C72 H162 N2 O25 Rb2 Si6 U2 -","- C144 H324 N4 O50 Rb4 Si12 U4 -","2","2","","Jori, Nadir; Rajeshkumar, Thayalan; Scopelliti, Rosario; Z̆ivković, Ivica; Sienkiewicz, Andrzej; Maron, Laurent; Mazzanti, Marinella","Cation assisted binding and cleavage of dinitrogen by uranium complexes","Chemical Science","2022","13","32","9232","9242","10.1039/D2SC02530B","","x-ray","1.54184","CuKα","","0.0793","0.0609","","","0.1449","0.1592","","","","","","1.047","","","","has coordinates,has disorder","277654","2022-09-06","09:54:36",""
"1567305","25.3833","0.0004","25.3833","0.0004","65.6666","0.0017","90","","90","","90","","42309.8","1.4","140.1","0.5","140.1","0.5","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C72 H162 Cs2 O25 Si6 U2 -","- C72 H162 Cs2 O25 Si6 U2 -","- C1152 H2592 Cs32 O400 Si96 U32 -","16","1","","Jori, Nadir; Rajeshkumar, Thayalan; Scopelliti, Rosario; Z̆ivković, Ivica; Sienkiewicz, Andrzej; Maron, Laurent; Mazzanti, Marinella","Cation assisted binding and cleavage of dinitrogen by uranium complexes","Chemical Science","2022","13","32","9232","9242","10.1039/D2SC02530B","","x-ray","1.54184","CuKα","","0.0982","0.0556","","","0.1198","0.1475","","","","","","1.0072","","","","has coordinates,has disorder","277654","2022-09-06","09:54:36",""
"1567306","10.0611","0.001","11.5414","0.0011","15.8166","0.0015","77.316","0.007","74.707","0.007","65.801","0.007","1602.9","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H48 N2 O2 -","- C38 H48 N2 O2 -","- C76 H96 N4 O4 -","2","1","","Reid, Amelia G.; Moreno, Juan J.; Hooe, Shelby L.; Baugh, Kira R.; Thomas, Isobel H.; Dickie, Diane A.; Machan, Charles W.","Inverse potential scaling in co-electrocatalytic activity for CO2 reduction through redox mediator tuning and catalyst design","Chemical Science","2022","13","33","9595","9606","10.1039/D2SC03258A","","","1.54178","CuKα","","0.0912","0.0738","","","0.1993","0.2099","","","","","","1.068","","","","has coordinates","277665","2022-09-06","09:59:00",""
"1567307","13.809","0.003","8.7376","0.0017","17.19","0.005","90","","99.585","0.005","90","","2045.1","0.8","100","2","100","2","","","","","","","","4","I 1 2/m 1","-I 2y","12","","","","- C46 H64 N2 O2 -","- C46 H64 N2 O2 -","- C92 H128 N4 O4 -","2","0.25","","Reid, Amelia G.; Moreno, Juan J.; Hooe, Shelby L.; Baugh, Kira R.; Thomas, Isobel H.; Dickie, Diane A.; Machan, Charles W.","Inverse potential scaling in co-electrocatalytic activity for CO2 reduction through redox mediator tuning and catalyst design","Chemical Science","2022","13","33","9595","9606","10.1039/D2SC03258A","","","0.71073","MoKα","","0.0685","0.045","","","0.116","0.1281","","","","","","1.023","","","","has coordinates,has disorder","277665","2022-09-06","09:59:02",""
"1567308","7.0219","0.0004","20.7503","0.001","17.221","0.001","90","","91.096","0.002","90","","2508.8","0.2","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H10 O2 S -","- C18 H10 O2 S -","- C144 H80 O16 S8 -","8","2","","Reid, Amelia G.; Moreno, Juan J.; Hooe, Shelby L.; Baugh, Kira R.; Thomas, Isobel H.; Dickie, Diane A.; Machan, Charles W.","Inverse potential scaling in co-electrocatalytic activity for CO2 reduction through redox mediator tuning and catalyst design","Chemical Science","2022","13","33","9595","9606","10.1039/D2SC03258A","","x-ray","0.71073","MoKα","","0.0915","0.0773","","","0.167","0.1738","","","","","","1.208","","","","has coordinates","277665","2022-09-06","09:59:02",""
"1567309","6.142","0.002","9.094","0.003","15.431","0.005","106.415","0.005","93.806","0.005","97.936","0.006","813.8","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","MnNRC8","","","- C38 H48 N2 O2 -","- C38 H48 N2 O2 -","- C38 H48 N2 O2 -","1","0.5","","Reid, Amelia G.; Moreno, Juan J.; Hooe, Shelby L.; Baugh, Kira R.; Thomas, Isobel H.; Dickie, Diane A.; Machan, Charles W.","Inverse potential scaling in co-electrocatalytic activity for CO2 reduction through redox mediator tuning and catalyst design","Chemical Science","2022","13","33","9595","9606","10.1039/D2SC03258A","","","0.71073","MoKα","","0.1128","0.0815","","","0.2118","0.235","","","","","","1.047","","","","has coordinates","277665","2022-09-06","09:59:02",""
"1567310","19.7648","0.0012","7.4276","0.0004","16.1962","0.0009","90","","90","","90","","2377.7","0.2","100","","100","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C30 H28 O2 S -","- C30 H28 O2 S -","- C120 H112 O8 S4 -","4","1","","Reid, Amelia G.; Moreno, Juan J.; Hooe, Shelby L.; Baugh, Kira R.; Thomas, Isobel H.; Dickie, Diane A.; Machan, Charles W.","Inverse potential scaling in co-electrocatalytic activity for CO2 reduction through redox mediator tuning and catalyst design","Chemical Science","2022","13","33","9595","9606","10.1039/D2SC03258A","","x-ray","0.71073","MoKα","","0.081","0.0754","","","0.187","0.1936","","","","","","1.104","","","","has coordinates","277665","2022-09-06","09:59:02",""
"1567311","15.4383","0.0016","20.371","0.002","7.3501","0.0007","90","","90","","90","","2311.6","0.4","100","","100","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C31 H24 O2 S -","- C31 H24 O2 S -","- C124 H96 O8 S4 -","4","0.5","","Reid, Amelia G.; Moreno, Juan J.; Hooe, Shelby L.; Baugh, Kira R.; Thomas, Isobel H.; Dickie, Diane A.; Machan, Charles W.","Inverse potential scaling in co-electrocatalytic activity for CO2 reduction through redox mediator tuning and catalyst design","Chemical Science","2022","13","33","9595","9606","10.1039/D2SC03258A","","x-ray","0.71073","MoKα","","0.0678","0.053","","","0.1091","0.1153","","","","","","1.095","","","","has coordinates,has disorder","277665","2022-09-06","09:59:02",""
"1567312","27.514","0.002","12.1313","0.0011","32.252","0.004","90","","99.556","0.007","90","","10615.7","1.8","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Cr_snow","","","- C54 H84 Cl Cr N2 O5 -","- C54 H84 Cl Cr N2 O5 -","- C432 H672 Cl8 Cr8 N16 O40 -","8","1","","Reid, Amelia G.; Moreno, Juan J.; Hooe, Shelby L.; Baugh, Kira R.; Thomas, Isobel H.; Dickie, Diane A.; Machan, Charles W.","Inverse potential scaling in co-electrocatalytic activity for CO2 reduction through redox mediator tuning and catalyst design","Chemical Science","2022","13","33","9595","9606","10.1039/D2SC03258A","","","1.54178","CuKα","","0.2037","0.1291","","","0.3138","0.3808","","","","","","1.109","","","","has coordinates,has disorder","277665","2022-09-06","09:59:02",""
"1567313","12.373","0.006","19.541","0.009","21.137","0.01","63.579","0.005","75.787","0.005","71.958","0.005","4317","4","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C48.5 H34 F10 Ir N4 O2 P -","- C48.5 H34 F10 Ir N4 O2 P -","- C194 H136 F40 Ir4 N16 O8 P4 -","4","2","","Wu, Yanyu; Sutton, Gregory D.; Halamicek, Michael D. S.; Xing, Xinxin; Bao, Jiming; Teets, Thomas S.","Cyclometalated iridium-coumarin ratiometric oxygen sensors: improved signal resolution and tunable dynamic ranges","Chemical Science","2022","13","30","8804","8812","10.1039/D2SC02909J","","","0.71073","MoKα","","0.0617","0.045","","","0.1092","0.1198","","","","","","1.058","","","","has coordinates","277089","2022-08-06","11:37:20",""
"1567314","12.0293","0.0003","13.6426","0.0003","15.8219","0.0003","79.16","0.001","81.948","0.001","71.953","0.001","2415.43","0.09","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C55 H39 F10 Ir N4 O4 P -","- C55 H39 F10 Ir N4 O4 P -","- C110 H78 F20 Ir2 N8 O8 P2 -","2","1","","Wu, Yanyu; Sutton, Gregory D.; Halamicek, Michael D. S.; Xing, Xinxin; Bao, Jiming; Teets, Thomas S.","Cyclometalated iridium-coumarin ratiometric oxygen sensors: improved signal resolution and tunable dynamic ranges","Chemical Science","2022","13","30","8804","8812","10.1039/D2SC02909J","","","0.71073","MoKα","","0.024","0.023","","","0.0579","0.0584","","","","","","1.047","","","","has coordinates,has disorder","277089","2022-08-06","11:37:21",""
"1567315","11.885","0.002","13.195","0.003","16.517","0.003","105.127","0.002","97.59","0.002","101.773","0.002","2400.4","0.8","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H30 F10 Ir N4 O4 P -","- C50 H30 F10 Ir N4 O4 P -","- C100 H60 F20 Ir2 N8 O8 P2 -","2","1","","Wu, Yanyu; Sutton, Gregory D.; Halamicek, Michael D. S.; Xing, Xinxin; Bao, Jiming; Teets, Thomas S.","Cyclometalated iridium-coumarin ratiometric oxygen sensors: improved signal resolution and tunable dynamic ranges","Chemical Science","2022","13","30","8804","8812","10.1039/D2SC02909J","","","0.71073","MoKα","","0.0339","0.0296","","","0.0734","0.0752","","","","","","1.049","","","","has coordinates,has disorder","277089","2022-08-06","11:37:21",""
"1567326","7.3149","0.0012","8.4664","0.0013","25.63","0.004","93.482","0.013","94.312","0.013","100.726","0.014","1550.6","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H23 B F5 O2 S3 -","- C33 H23 B F5 O2 S3 -","- C66 H46 B2 F10 O4 S6 -","2","1","","Li, Ziyong; Zhang, Ji-Rui; Tian, Xu-Ke; Yang, Shuren; Chen, Si; Zhou, Hui; Yang, Xiao-Gang","Green-/NIR-light-controlled rapid photochromism featuring reversible thermally activated delayed fluorescence and photoelectronic switching","Chemical Science","2022","13","32","9381","9386","10.1039/D2SC02662G","","x-ray","0.71073","MoKα","","0.308","0.1095","","","0.1875","0.2774","","","","","","1.004","","","","has coordinates","277653","2022-09-06","09:52:31",""
"1567327","11.63","0.04","12.52","0.05","15.71","0.06","76.35","0.1","72.58","0.07","65.54","0.08","1970","13","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H48 Au F6 N4 O6 Sb -","- C35 H44 Au F6 N4 O6 Sb -","- C70 H88 Au2 F12 N8 O12 Sb2 -","2","1","","Font, Pau; Valdés, Hugo; Guisado-Barrios, Gregorio; Ribas, Xavi","Hemilabile MIC^N ligands allow oxidant-free Au(i)/Au(iii) arylation-lactonization of γ-alkenoic acids","Chemical Science","2022","13","32","9351","9360","10.1039/D2SC01966C","","","0.71076","MoKα","","0.1121","0.0894","","","0.2113","0.2361","","","","","","1.062","","","","has coordinates","277651","2022-09-06","09:51:58",""
"1567328","6.3989","0.0002","7.1432","0.0002","27.0217","0.0007","90","","90","","90","","1235.12","0.06","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H18 O3 -","- C14 H18 O3 -","- C56 H72 O12 -","4","1","","Font, Pau; Valdés, Hugo; Guisado-Barrios, Gregorio; Ribas, Xavi","Hemilabile MIC^N ligands allow oxidant-free Au(i)/Au(iii) arylation-lactonization of γ-alkenoic acids","Chemical Science","2022","13","32","9351","9360","10.1039/D2SC01966C","","","0.71073","MoKα","","0.0287","0.0282","","","0.0731","0.0736","","","","","","1.063","","","","has coordinates","277651","2022-09-06","09:51:58",""
"1567329","12.29","0.04","16.44","0.05","19.22","0.06","90","","101.35","0.06","90","","3807","2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C37.26 H44.26 F6 I0.11 N4 O0.89 Sb -","- C37.251 H44.251 F6 I0.107 N4 O0.893 Sb -","- C149.004 H177.004 F24 I0.428 N16 O3.572 Sb4 -","4","1","","Font, Pau; Valdés, Hugo; Guisado-Barrios, Gregorio; Ribas, Xavi","Hemilabile MIC^N ligands allow oxidant-free Au(i)/Au(iii) arylation-lactonization of γ-alkenoic acids","Chemical Science","2022","13","32","9351","9360","10.1039/D2SC01966C","","","0.71076","MoKα","","0.0892","0.068","","","0.1365","0.1468","","","","","","1.185","","","","has coordinates,has disorder","277651","2022-09-06","09:51:58",""
"1567330","9.9684","0.0005","23.6287","0.001","12.9108","0.0006","90","","101.309","0.002","90","","2982","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H38 Au Cl N4 -","- C31 H38 Au Cl N4 -","- C124 H152 Au4 Cl4 N16 -","4","1","","Font, Pau; Valdés, Hugo; Guisado-Barrios, Gregorio; Ribas, Xavi","Hemilabile MIC^N ligands allow oxidant-free Au(i)/Au(iii) arylation-lactonization of γ-alkenoic acids","Chemical Science","2022","13","32","9351","9360","10.1039/D2SC01966C","","","0.71073","MoKα","","0.0594","0.0473","","","0.1253","0.136","","","","","","1.088","","","","has coordinates","277651","2022-09-06","09:51:58",""
"1567331","11.589","0.01","11.486","0.009","26.6","0.03","90","","97.78","0.02","90","","3508","6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H46 Cl N5 O2 -","- C37 H46 Cl N5 O2 -","- C148 H184 Cl4 N20 O8 -","4","1","","Font, Pau; Valdés, Hugo; Guisado-Barrios, Gregorio; Ribas, Xavi","Hemilabile MIC^N ligands allow oxidant-free Au(i)/Au(iii) arylation-lactonization of γ-alkenoic acids","Chemical Science","2022","13","32","9351","9360","10.1039/D2SC01966C","","","0.71076","MoKα","","0.0697","0.0602","","","0.1425","0.1481","","","","","","1.123","","","","has coordinates","277651","2022-09-06","09:51:58",""
"1567332","9.426","0.007","12.481","0.009","15.289","0.012","108.17","0.02","91.2","0.03","110.83","0.02","1580","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H42 Au Cl N5 O0.46 -","- C32 H42 Au Cl N5 O0.464 -","- C64 H84 Au2 Cl2 N10 O0.928 -","2","1","","Font, Pau; Valdés, Hugo; Guisado-Barrios, Gregorio; Ribas, Xavi","Hemilabile MIC^N ligands allow oxidant-free Au(i)/Au(iii) arylation-lactonization of γ-alkenoic acids","Chemical Science","2022","13","32","9351","9360","10.1039/D2SC01966C","","","0.71076","MoKα","","0.0482","0.034","","","0.074","0.0854","","","","","","1.185","","","","has coordinates,has disorder","277651","2022-09-06","09:51:58",""
"1567333","12.502","0.0006","15.3475","0.0008","22.3529","0.0011","83.846","0.002","81.645","0.002","79.159","0.002","4153.6","0.4","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C35 H50 Au Cl2 F6 N4 O2 Sb -","- C35 H48 Au Cl2 F6 N4 O2 Sb -","- C140 H192 Au4 Cl8 F24 N16 O8 Sb4 -","4","2","","Font, Pau; Valdés, Hugo; Guisado-Barrios, Gregorio; Ribas, Xavi","Hemilabile MIC^N ligands allow oxidant-free Au(i)/Au(iii) arylation-lactonization of γ-alkenoic acids","Chemical Science","2022","13","32","9351","9360","10.1039/D2SC01966C","","","0.71076","MoKα","","0.0762","0.0586","","","0.1292","0.1402","","","","","","1.236","","","","has coordinates","277651","2022-09-06","09:51:58",""
"1567334","12.25","0.02","15.5","0.02","23.22","0.04","89.58","0.03","84.7","0.04","85.16","0.04","4374","12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H55 Au Cl N5 O -","- C46 H55 Au Cl N5 O -","- C184 H220 Au4 Cl4 N20 O4 -","4","2","","Font, Pau; Valdés, Hugo; Guisado-Barrios, Gregorio; Ribas, Xavi","Hemilabile MIC^N ligands allow oxidant-free Au(i)/Au(iii) arylation-lactonization of γ-alkenoic acids","Chemical Science","2022","13","32","9351","9360","10.1039/D2SC01966C","","","0.71076","MoKα","","0.0801","0.0509","","","0.1007","0.1158","","","","","","1.271","","","","has coordinates","277651","2022-09-06","09:51:58",""
"1567335","25.668","0.009","11.721","0.004","25.249","0.009","90","","90","","90","","7596","5","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C72 H82 Au2 F12 N10 Sb2 -","- C72 H82 Au2 F12 N10 Sb2 -","- C288 H328 Au8 F48 N40 Sb8 -","4","0.5","","Font, Pau; Valdés, Hugo; Guisado-Barrios, Gregorio; Ribas, Xavi","Hemilabile MIC^N ligands allow oxidant-free Au(i)/Au(iii) arylation-lactonization of γ-alkenoic acids","Chemical Science","2022","13","32","9351","9360","10.1039/D2SC01966C","","","0.71073","MoKα","","0.1075","0.0652","","","0.1282","0.151","","","","","","1.243","","","","has coordinates,has disorder","277651","2022-09-06","09:51:58",""
"1567336","17.0009","0.0007","11.783","0.0005","19.9923","0.0008","90","","98.26","0.002","90","","3963.3","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H45 Au F6 N5 Sb -","- C42 H45 Au F6 N5 Sb -","- C168 H180 Au4 F24 N20 Sb4 -","4","1","","Font, Pau; Valdés, Hugo; Guisado-Barrios, Gregorio; Ribas, Xavi","Hemilabile MIC^N ligands allow oxidant-free Au(i)/Au(iii) arylation-lactonization of γ-alkenoic acids","Chemical Science","2022","13","32","9351","9360","10.1039/D2SC01966C","","","0.71073","MoKα","","0.0642","0.0478","","","0.1097","0.1221","","","","","","1.063","","","","has coordinates","277651","2022-09-06","09:51:58",""
"1567337","16.5318","0.0008","17.9336","0.0008","25.9388","0.0012","90","","107.017","0.002","90","","7353.5","0.6","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C67 H88 Au2 Cl2 F12 N8 O Sb2 -","- C67 H88 Au2 Cl2 F12 N8 O Sb2 -","- C268 H352 Au8 Cl8 F48 N32 O4 Sb8 -","4","1","","Font, Pau; Valdés, Hugo; Guisado-Barrios, Gregorio; Ribas, Xavi","Hemilabile MIC^N ligands allow oxidant-free Au(i)/Au(iii) arylation-lactonization of γ-alkenoic acids","Chemical Science","2022","13","32","9351","9360","10.1039/D2SC01966C","","","0.71073","MoKα","","0.0745","0.0513","","","0.1039","0.1178","","","","","","1.242","","","","has coordinates","277651","2022-09-06","09:51:58",""
"1567338","16.4149","0.0008","23.5323","0.0012","24.8306","0.0013","64.105","0.001","80.992","0.002","81.246","0.001","8484.1","0.7","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C167 H215 Au4 B4 Cl4 F16 N21 O9 -","- C167 H215 Au4 B4 Cl4 F16 N21 O9 -","- C334 H430 Au8 B8 Cl8 F32 N42 O18 -","2","1","","Font, Pau; Valdés, Hugo; Guisado-Barrios, Gregorio; Ribas, Xavi","Hemilabile MIC^N ligands allow oxidant-free Au(i)/Au(iii) arylation-lactonization of γ-alkenoic acids","Chemical Science","2022","13","32","9351","9360","10.1039/D2SC01966C","","","0.71073","MoKα","","0.1132","0.0658","","","0.1318","0.1554","","","","","","1.098","","","","has coordinates,has disorder","277651","2022-09-06","09:51:58",""
"1567382","14.0862","0.0006","15.4831","0.0007","12.9171","0.0005","90","","106.586","0.004","90","","2700","0.2","293","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1-bromo-2,3,5,6-tetrafluorobenzenyl(1,3-dimethylimidazolin-2-ylidene)gold complex","","- C11 H8 Au Br F4 N2 -","- C11 H8 Au Br F4 N2 -","- C88 H64 Au8 Br8 F32 N16 -","8","2","","Feng, Chi; Seki, Tomohiro; Sakamoto, Shunichi; Sasaki, Toshiyuki; Takamizawa, Satoshi; Ito, Hajime","Mechanical deformation and multiple thermal restoration of organic crystals: reversible multi-stage shape-changing effect with luminescence-color changes","Chemical Science","2022","13","33","9544","9551","10.1039/D2SC03414J","","x-ray","0.71073","MoKα","","0.0654","0.0422","","","0.1085","0.119","","","","","","1.061","","","","has coordinates","277661","2022-09-06","09:57:18",""
"1567383","12.9752","0.0007","6.8244","0.0004","15.5938","0.001","90","","90","","90","","1380.8","0.14","363","","363","","","","","","","","","6","P n m a","-P 2ac 2n","62","","1-bromo-2,3,5,6-tetrafluorobenzenyl(1,3-dimethylimidazolin-2-ylidene)gold complex","","- C11 H8 Au Br F4 N2 -","- C11 H8 Au Br F4 N2 -","- C44 H32 Au4 Br4 F16 N8 -","4","0.5","","Feng, Chi; Seki, Tomohiro; Sakamoto, Shunichi; Sasaki, Toshiyuki; Takamizawa, Satoshi; Ito, Hajime","Mechanical deformation and multiple thermal restoration of organic crystals: reversible multi-stage shape-changing effect with luminescence-color changes","Chemical Science","2022","13","33","9544","9551","10.1039/D2SC03414J","","x-ray","0.71073","MoKα","","0.0569","0.0387","","","0.1102","0.1187","","","","","","1.058","","","","has coordinates,has disorder","277661","2022-09-06","09:57:20",""
"1567384","12.9715","0.0006","6.8326","0.0003","15.6063","0.0008","90","","90","","90","","1383.17","0.11","363","","363","","","","","","","","","6","P n m a","-P 2ac 2n","62","","1-bromo-2,3,5,6-tetrafluorobenzenyl(1,3-dimethylimidazolin-2-ylidene)gold complex","","- C11 H8 Au Br F4 N2 -","- C11 H8 Au Br F4 N2 -","- C44 H32 Au4 Br4 F16 N8 -","4","0.5","","Feng, Chi; Seki, Tomohiro; Sakamoto, Shunichi; Sasaki, Toshiyuki; Takamizawa, Satoshi; Ito, Hajime","Mechanical deformation and multiple thermal restoration of organic crystals: reversible multi-stage shape-changing effect with luminescence-color changes","Chemical Science","2022","13","33","9544","9551","10.1039/D2SC03414J","","x-ray","0.71073","MoKα","","0.0565","0.0382","","","0.1062","0.1141","","","","","","1.07","","","","has coordinates,has disorder","277661","2022-09-06","09:57:31",""
"1567385","14.0976","0.0005","15.4992","0.0005","12.9484","0.0004","90","","106.584","0.004","90","","2711.56","0.16","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1-bromo-2,3,5,6-tetrafluorobenzenyl(1,3-dimethylimidazolin-2-ylidene)gold complex","","- C11 H8 Au Br F4 N2 -","- C11 H8 Au Br F4 N2 -","- C88 H64 Au8 Br8 F32 N16 -","8","2","","Feng, Chi; Seki, Tomohiro; Sakamoto, Shunichi; Sasaki, Toshiyuki; Takamizawa, Satoshi; Ito, Hajime","Mechanical deformation and multiple thermal restoration of organic crystals: reversible multi-stage shape-changing effect with luminescence-color changes","Chemical Science","2022","13","33","9544","9551","10.1039/D2SC03414J","","x-ray","0.71073","MoKα","","0.122","0.0836","","","0.204","0.2241","","","","","","1.039","","","","has coordinates","277661","2022-09-06","09:57:33",""
"1567386","7.685","0.0003","15.3186","0.0004","12.9425","0.0005","90","","120.622","0.005","90","","1311.16","0.1","123","","123","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H8 Au Br F4 N2 -","- C11 H8 Au Br F4 N2 -","- C44 H32 Au4 Br4 F16 N8 -","4","1","","Feng, Chi; Seki, Tomohiro; Sakamoto, Shunichi; Sasaki, Toshiyuki; Takamizawa, Satoshi; Ito, Hajime","Mechanical deformation and multiple thermal restoration of organic crystals: reversible multi-stage shape-changing effect with luminescence-color changes","Chemical Science","2022","13","33","9544","9551","10.1039/D2SC03414J","","x-ray","0.71073","MoKα","","0.0248","0.0212","","","0.0511","0.0523","","","","","","1.03","","","","has coordinates","277661","2022-09-06","09:57:37",""
"1567387","7.6985","0.0005","15.3528","0.0008","12.9738","0.0008","90","","120.533","0.009","90","","1320.79","0.18","123","","123","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H8 Au Br F4 N2 -","- C11 H8 Au Br F4 N2 -","- C44 H32 Au4 Br4 F16 N8 -","4","1","","Feng, Chi; Seki, Tomohiro; Sakamoto, Shunichi; Sasaki, Toshiyuki; Takamizawa, Satoshi; Ito, Hajime","Mechanical deformation and multiple thermal restoration of organic crystals: reversible multi-stage shape-changing effect with luminescence-color changes","Chemical Science","2022","13","33","9544","9551","10.1039/D2SC03414J","","","0.71073","MoKα","","0.0956","0.0714","","","0.2079","0.2239","","","","","","1.05","","","","has coordinates","277661","2022-09-06","09:57:40",""
"1567397","6.3864","0.0001","7.8416","0.0001","39.8125","0.0007","90","","90","","90","","1993.79","0.05","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H27 O7 P -","- C18 H27 O7 P -","- C72 H108 O28 P4 -","4","1","","Ren, Xinkun; Chandgude, Ajay L.; Carminati, Daniela M.; Shen, Zhuofan; Khare, Sagar D.; Fasan, Rudi","Highly stereoselective and enantiodivergent synthesis of cyclopropylphosphonates with engineered carbene transferases","Chemical Science","2022","13","29","8550","8556","10.1039/D2SC01965E","","x-ray","1.54184","CuKα","","0.0459","0.0432","","","0.109","0.1105","","","","","","1.098","","","","has coordinates","276999","2022-07-29","22:05:19",""
"1567398","16.5285","0.0001","17.378","0.0001","34.2234","0.0002","90","","90","","90","","9830.06","0.1","150","0.1","150","0.1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C43 H67 Br2 Mn N7 O Si2 -","- C43 H67 Br2 Mn N7 O Si2 -","- C344 H536 Br16 Mn8 N56 O8 Si16 -","8","1","","Kalra, Shweta; Pividori, Daniel; Fehn, Dominik; Dai, Chenshu; Dong, Shicheng; Yao, Shenglai; Zhu, Jun; Meyer, Karsten; Driess, Matthias","A bis(silylene)pyridine pincer ligand can stabilize mononuclear manganese(0) complexes: facile access to isolable analogues of the elusive d7-Mn(CO)5 radical","Chemical Science","2022","13","29","8634","8641","10.1039/D2SC03352F","","","1.54184","CuKα","","0.0387","0.0341","","","0.0838","0.0878","","","","","","1.028","","","","has coordinates","277001","2022-07-29","22:06:29",""
"1567399","10.1252","0.0003","18.0882","0.0005","13.3966","0.0005","90","","103.606","0.003","90","","2384.69","0.13","150.01","0.1","150.01","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C48 H65 Mn N7 O3 Si2 -","- C48 H65 Mn N7 O3 Si2 -","- C96 H130 Mn2 N14 O6 Si4 -","2","1","","Kalra, Shweta; Pividori, Daniel; Fehn, Dominik; Dai, Chenshu; Dong, Shicheng; Yao, Shenglai; Zhu, Jun; Meyer, Karsten; Driess, Matthias","A bis(silylene)pyridine pincer ligand can stabilize mononuclear manganese(0) complexes: facile access to isolable analogues of the elusive d7-Mn(CO)5 radical","Chemical Science","2022","13","29","8634","8641","10.1039/D2SC03352F","","","1.54184","CuKα","","0.0605","0.0511","","","0.1279","0.1399","","","","","","1.05","","","","has coordinates,has disorder","277001","2022-07-29","22:06:30",""
"1567400","9.522","0.0001","18.7589","0.0002","13.6576","0.0002","90","","97.022","0.001","90","","2421.25","0.05","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C45 H75 Mn N7 P2 Si2 -","- C45 H75 Mn N7 P2 Si2 -","- C90 H150 Mn2 N14 P4 Si4 -","2","1","","Kalra, Shweta; Pividori, Daniel; Fehn, Dominik; Dai, Chenshu; Dong, Shicheng; Yao, Shenglai; Zhu, Jun; Meyer, Karsten; Driess, Matthias","A bis(silylene)pyridine pincer ligand can stabilize mononuclear manganese(0) complexes: facile access to isolable analogues of the elusive d7-Mn(CO)5 radical","Chemical Science","2022","13","29","8634","8641","10.1039/D2SC03352F","","","1.54184","CuKα","","0.0447","0.0407","","","0.1048","0.1093","","","","","","1.054","","","","has coordinates","277001","2022-07-29","22:06:30",""
"1567401","13.5113","0.0003","13.8328","0.0003","28.2254","0.0005","90","","92.402","0.002","90","","5270.67","0.19","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H82 Mn N7 P2 Si2 -","- C48 H82 Mn N7 P2 Si2 -","- C192 H328 Mn4 N28 P8 Si8 -","4","1","","Kalra, Shweta; Pividori, Daniel; Fehn, Dominik; Dai, Chenshu; Dong, Shicheng; Yao, Shenglai; Zhu, Jun; Meyer, Karsten; Driess, Matthias","A bis(silylene)pyridine pincer ligand can stabilize mononuclear manganese(0) complexes: facile access to isolable analogues of the elusive d7-Mn(CO)5 radical","Chemical Science","2022","13","29","8634","8641","10.1039/D2SC03352F","","","1.54184","CuKα","","0.0654","0.0445","","","0.1058","0.1198","","","","","","1.024","","","","has coordinates","277001","2022-07-29","22:06:30",""
"1567402","11.8411","0.0006","12.4718","0.0007","15.3713","0.0008","80.252","0.002","81.208","0.002","66.112","0.003","2036.64","0.19","135","2","135","2","","","","","","","","7","P -1","-P 1","2","Mo-2","","","- C37 H30 Cl2 F18 Mo N2 O4 -","- C37 H30 Cl2 F18 Mo N2 O4 -","- C74 H60 Cl4 F36 Mo2 N4 O8 -","2","1","","Musso, Janis V.; De Jesus Silva, Jordan; Benedikter, Mathis J.; Groos, Jonas; Frey, Wolfgang; Copéret, Christophe; Buchmeiser, Michael R.","Cationic molybdenum oxo alkylidenes stabilized by N-heterocyclic carbenes: from molecular systems to efficient supported metathesis catalysts","Chemical Science","2022","13","29","8649","8656","10.1039/D2SC03321F","","","0.71073","MoKα","","0.0602","0.0528","","","0.1401","0.1443","","","","","","1.024","","","","has coordinates","277002","2022-07-29","22:07:17",""
"1567403","12.9654","0.0008","13.8876","0.0009","19.3009","0.0012","79.898","0.002","78.994","0.002","86.057","0.003","3356.2","0.4","140","2","140","2","","","","","","","","8","P -1","-P 1","2","Mo-8","","","- C53 H44 Al Cl F41 Mo N2 O7 -","- C53 H44 Al Cl F41 Mo N2 O7 -","- C106 H88 Al2 Cl2 F82 Mo2 N4 O14 -","2","1","","Musso, Janis V.; De Jesus Silva, Jordan; Benedikter, Mathis J.; Groos, Jonas; Frey, Wolfgang; Copéret, Christophe; Buchmeiser, Michael R.","Cationic molybdenum oxo alkylidenes stabilized by N-heterocyclic carbenes: from molecular systems to efficient supported metathesis catalysts","Chemical Science","2022","13","29","8649","8656","10.1039/D2SC03321F","","","0.71073","MoKα","","0.0914","0.0718","","","0.174","0.1845","","","","","","1.041","","","","has coordinates,has disorder","277002","2022-07-29","22:07:18",""
"1567414","6.3457","0.00007","12.49324","0.00016","29.7405","0.0004","90","","93.4861","0.0011","90","","2353.41","0.05","296","0.9","296","0.9","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H18 N2 O3 -","- C26 H18 N2 O3 -","- C104 H72 N8 O12 -","4","2","","Li, Ao; Gao, Yang; Lu, Jian-Bin; Chen, Zhi-Chao; Du, Wei; Chen, Ying-Chun","Asymmetric higher-order [10 + n] cycloadditions of palladium-containing 10π-cycloaddends","Chemical Science","2022","13","32","9265","9270","10.1039/D2SC02985E","","x-ray","1.54184","CuKα","","0.0543","0.0505","","","0.1373","0.1426","","","","","","1.037","","","","has coordinates","277656","2022-09-06","09:56:04",""
"1567415","16.196","0.006","12.016","0.004","23.162","0.01","90","","93.907","0.014","90","","4497","3","99","2","99","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H70 Al Fe N2 -","- C48 H70 Al Fe N2 -","- C192 H280 Al4 Fe4 N8 -","4","1","","Dhara, Debabrata; Fantuzzi, Felipe; Härterich, Marcel; Dewhurst, Rian D.; Krummenacher, Ivo; Arrowsmith, Merle; Pranckevicius, Conor; Braunschweig, Holger","Stepwise reduction of a base-stabilised ferrocenyl aluminium(iii) dihalide for the synthesis of structurally-diverse dialane species","Chemical Science","2022","13","33","9693","9700","10.1039/D2SC02783F","","","0.71073","MoKα","","0.0718","0.0434","","","0.0961","0.1084","","","","","","1.031","","","","has coordinates,has disorder","277663","2022-09-06","09:58:25",""
"1567416","16.6116","0.0008","14.202","0.0007","20.0432","0.0011","90","","103.503","0.003","90","","4597.8","0.4","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H61 Al Fe I2 N2 -","- C45 H61 Al Fe I2 N2 -","- C180 H244 Al4 Fe4 I8 N8 -","4","1","","Dhara, Debabrata; Fantuzzi, Felipe; Härterich, Marcel; Dewhurst, Rian D.; Krummenacher, Ivo; Arrowsmith, Merle; Pranckevicius, Conor; Braunschweig, Holger","Stepwise reduction of a base-stabilised ferrocenyl aluminium(iii) dihalide for the synthesis of structurally-diverse dialane species","Chemical Science","2022","13","33","9693","9700","10.1039/D2SC02783F","","","0.71073","MoKα","","0.0894","0.0466","","","0.0943","0.12","","","","","","1.034","","","","has coordinates,has disorder","277663","2022-09-06","09:58:26",""
"1567417","16.797","0.003","16.275","0.004","19.697","0.006","90","","112.357","0.012","90","","4980","2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C104 H146 Al2 Fe2 I2 N4 -","- C104 H146 Al2 Fe2 I2 N4 -","- C208 H292 Al4 Fe4 I4 N8 -","2","0.5","","Dhara, Debabrata; Fantuzzi, Felipe; Härterich, Marcel; Dewhurst, Rian D.; Krummenacher, Ivo; Arrowsmith, Merle; Pranckevicius, Conor; Braunschweig, Holger","Stepwise reduction of a base-stabilised ferrocenyl aluminium(iii) dihalide for the synthesis of structurally-diverse dialane species","Chemical Science","2022","13","33","9693","9700","10.1039/D2SC02783F","","","0.71073","MoKα","","0.1144","0.0717","","","0.1686","0.2007","","","","","","1.019","","","","has coordinates,has disorder","277663","2022-09-06","09:58:26",""
"1567418","15.8692","0.0002","16.9522","0.0003","18.67859","0.00019","112.089","0.0013","93.6385","0.0011","100.472","0.0013","4530.35","0.12","99.99","0.1","99.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C96 H136 Al2 Fe2 I2 N4 -","- C96 H136 Al2 Fe2 I2 N4 -","- C192 H272 Al4 Fe4 I4 N8 -","2","1","","Dhara, Debabrata; Fantuzzi, Felipe; Härterich, Marcel; Dewhurst, Rian D.; Krummenacher, Ivo; Arrowsmith, Merle; Pranckevicius, Conor; Braunschweig, Holger","Stepwise reduction of a base-stabilised ferrocenyl aluminium(iii) dihalide for the synthesis of structurally-diverse dialane species","Chemical Science","2022","13","33","9693","9700","10.1039/D2SC02783F","","x-ray","1.54184","CuKα","","0.0743","0.0597","","","0.1499","0.1592","","","","","","1.044","","","","has coordinates,has disorder","277663","2022-09-06","09:58:26",""
"1567419","22.1651","0.0002","19.7884","0.0002","23.3393","0.0002","90","","113.136","0.001","90","","9413.59","0.17","100","2","99.9","0.7","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C97 H130 Al2 Fe2 I2 N4 -","- C97 H130 Al2 Fe2 I2 N4 -","- C388 H520 Al8 Fe8 I8 N16 -","4","1","","Dhara, Debabrata; Fantuzzi, Felipe; Härterich, Marcel; Dewhurst, Rian D.; Krummenacher, Ivo; Arrowsmith, Merle; Pranckevicius, Conor; Braunschweig, Holger","Stepwise reduction of a base-stabilised ferrocenyl aluminium(iii) dihalide for the synthesis of structurally-diverse dialane species","Chemical Science","2022","13","33","9693","9700","10.1039/D2SC02783F","","","1.54184","CuKα","","0.0533","0.0438","","","0.1097","0.1148","","","","","","1.059","","","","has coordinates,has disorder","277663","2022-09-06","09:58:26",""
"1567420","15.996","0.008","29.021","0.014","19.433","0.01","90","","91.562","0.013","90","","9018","8","100","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C96 H136 Al2 Fe2 N4 -","- C96 H136 Al2 Fe2 N4 -","- C384 H544 Al8 Fe8 N16 -","4","1","","Dhara, Debabrata; Fantuzzi, Felipe; Härterich, Marcel; Dewhurst, Rian D.; Krummenacher, Ivo; Arrowsmith, Merle; Pranckevicius, Conor; Braunschweig, Holger","Stepwise reduction of a base-stabilised ferrocenyl aluminium(iii) dihalide for the synthesis of structurally-diverse dialane species","Chemical Science","2022","13","33","9693","9700","10.1039/D2SC02783F","","","0.71073","MoKα","","0.0833","0.059","","","0.1457","0.1596","","","","","","1.057","","","","has coordinates,has disorder","277663","2022-09-06","09:58:26",""
"1567421","19.856","0.008","14.8","0.004","29.131","0.01","90","","105.079","0.012","90","","8266","5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C90 H122 Al2 Fe2 N4 -","- C90 H122 Al2 Fe2 N4 -","- C360 H488 Al8 Fe8 N16 -","4","1","","Dhara, Debabrata; Fantuzzi, Felipe; Härterich, Marcel; Dewhurst, Rian D.; Krummenacher, Ivo; Arrowsmith, Merle; Pranckevicius, Conor; Braunschweig, Holger","Stepwise reduction of a base-stabilised ferrocenyl aluminium(iii) dihalide for the synthesis of structurally-diverse dialane species","Chemical Science","2022","13","33","9693","9700","10.1039/D2SC02783F","","","0.71073","MoKα","","0.0964","0.0505","","","0.1142","0.1347","","","","","","1.015","","","","has coordinates,has disorder","277663","2022-09-06","09:58:26",""
"1567422","14.187","0.003","13.429","0.004","27.488","0.008","90","","90","","90","","5237","2","140","2","140","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H24 N2 O2 S2 -","- C32 H24 N2 O2 S2 -","- C256 H192 N16 O16 S16 -","8","1","","Ge, Lingbing; Hou, Songjun; Chen, Yaorong; Wu, Qingqing; Long, Lanxin; Yang, Xingzhou; Ji, Yu; Lin, Luchun; Xue, Guodong; Liu, Junyang; Liu, Xiaodong; Lambert, Colin J.; Hong, Wenjing; Zheng, Yonghao","Hydrogen-bond-induced quantum interference in single-molecule junctions of regioisomers","Chemical Science","2022","13","33","9552","9559","10.1039/D2SC03229E","","","0.71073","MoKα","","0.1317","0.0601","","","0.1318","0.1837","","","","","","1.021","","","","has coordinates","277662","2022-09-06","09:57:52",""
"1567423","4.88","0.003","10.531","0.006","12.724","0.007","105.72","0.02","91.51","0.02","99.05","0.03","620","0.6","178","2","178","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H24 N2 O2 S2 -","- C32 H24 N2 O2 S2 -","- C32 H24 N2 O2 S2 -","1","0.5","","Ge, Lingbing; Hou, Songjun; Chen, Yaorong; Wu, Qingqing; Long, Lanxin; Yang, Xingzhou; Ji, Yu; Lin, Luchun; Xue, Guodong; Liu, Junyang; Liu, Xiaodong; Lambert, Colin J.; Hong, Wenjing; Zheng, Yonghao","Hydrogen-bond-induced quantum interference in single-molecule junctions of regioisomers","Chemical Science","2022","13","33","9552","9559","10.1039/D2SC03229E","","","1.54178","CuKα","","0.1199","0.0987","","","0.2318","0.2482","","","","","","0.987","","","","has coordinates","277662","2022-09-06","09:57:55",""
"1567425","11.826","0.002","7.8223","0.0013","12.199","0.002","90","","118.99","","90","","987.1","0.3","296","2","296.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H24 O4 S -","- C21 H24 O4 S -","- C42 H48 O8 S2 -","2","1","","He, Fu-Sheng; Zhang, Chun; Jiang, Minghui; Lou, Lujun; Wu, Jie; Ye, Shengqing","Access to chiral β-sulfonyl carbonyl compounds via photoinduced organocatalytic asymmetric radical sulfonylation with sulfur dioxide","Chemical Science","2022","13","30","8834","8839","10.1039/D2SC02497G","","","0.71073","MoKα","","0.0326","0.0301","","","0.081","0.083","","","","","","1.009","","","","has coordinates","277072","2022-08-04","22:09:22",""
"1567429","9.2426","0.0006","18.4473","0.0014","35.708","0.004","90","","90","","90","","6088.3","0.9","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C20 H12 Cl4 N8 Na2 O14 Pd -","- C20 H12 Cl4 N8 Na2 O14 Pd -","- C160 H96 Cl32 N64 Na16 O112 Pd8 -","8","1","","Panja, Subir; Ahsan, Salman; Pal, Tanay; Kolb, Simon; Ali, Wajid; Sharma, Sulekha; Das, Chandan; Grover, Jagrit; Dutta, Arnab; Werz, Daniel B.; Paul, Amit; Maiti, Debabrata","Non-directed Pd-catalysed electrooxidative olefination of arenes","Chemical Science","2022","13","32","9432","9439","10.1039/D2SC03288K","","","0.71073","MoKα","","0.1709","0.1177","","","0.2428","0.2701","","","","","","1.114","","","","has coordinates","277652","2022-09-06","09:52:11",""
"1567439","9.3339","0.0019","9.6044","0.0018","14.535","0.003","81.54","0.006","78.191","0.006","89.814","0.006","1261.1","0.4","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C25 H40 N2 O4 -","- C25 H40 N2 O4 -","- C50 H80 N4 O8 -","2","1","","Mondal, Debashis; Dandekar, Bhupendra R.; Ahmad, Manzoor; Mondal, Abhishek; Mondal, Jagannath; Talukdar, Pinaki","Selective and rapid water transportation across a self-assembled peptide-diol channel via the formation of a dual water array","Chemical Science","2022","13","33","9614","9623","10.1039/D2SC01737G","","","0.71073","MoKα","","0.1553","0.0938","","","0.2134","0.25","","","","","","1.035","","","","has coordinates","277664","2022-09-06","09:58:36",""
"1567440","37.83","0.02","4.929","0.003","12.845","0.007","90","","97.014","0.013","90","","2377","2","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C23 H40 N2 O5 -","- C23 H40 N2 O5 -","- C92 H160 N8 O20 -","4","1","","Mondal, Debashis; Dandekar, Bhupendra R.; Ahmad, Manzoor; Mondal, Abhishek; Mondal, Jagannath; Talukdar, Pinaki","Selective and rapid water transportation across a self-assembled peptide-diol channel via the formation of a dual water array","Chemical Science","2022","13","33","9614","9623","10.1039/D2SC01737G","","","0.71073","MoKα","","0.1303","0.0668","","","0.1355","0.1804","","","","","","0.996","","","","has coordinates","277664","2022-09-06","09:58:36",""
"1567442","9.6054","0.0003","19.7203","0.0006","20.7848","0.0006","104.662","0.001","92.247","0.001","90.183","0.001","3805.6","0.2","125","2","125","2","","","","","","","","4","P -1","-P 1","2","","","","- C41 H63 Fe N3 -","- C41 H63 Fe N3 -","- C164 H252 Fe4 N12 -","4","2","","Yang, Po-Chun; Yu, Kuan-Po; Hsieh, Chi-Tien; Zou, Junjie; Fang, Chia-Te; Liu, Hsin-Kuan; Pao, Chih-Wen; Deng, Liang; Cheng, Mu-Jeng; Lin, Chun-Yi","Stabilization of a high-spin three-coordinate Fe(iii) imidyl complex by radical delocalization","Chemical Science","2022","13","33","9637","9643","10.1039/D2SC02699F","","","0.71073","MoKα","","0.0523","0.0438","","","0.1065","0.1105","","","","","","1.046","","","","has coordinates","277659","2022-09-06","09:56:48",""
"1567443","8.9896","0.0005","9.3153","0.0005","10.4649","0.0006","74.635","0.003","87.557","0.003","62.337","0.002","745.1","0.07","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H52 Li2 N2 -","- C32 H52 Li2 N2 -","- C32 H52 Li2 N2 -","1","0.5","","Yang, Po-Chun; Yu, Kuan-Po; Hsieh, Chi-Tien; Zou, Junjie; Fang, Chia-Te; Liu, Hsin-Kuan; Pao, Chih-Wen; Deng, Liang; Cheng, Mu-Jeng; Lin, Chun-Yi","Stabilization of a high-spin three-coordinate Fe(iii) imidyl complex by radical delocalization","Chemical Science","2022","13","33","9637","9643","10.1039/D2SC02699F","","","0.71073","MoKα","","0.0872","0.0659","","","0.153","0.1638","","","","","","1.074","","","","has coordinates","277659","2022-09-06","09:56:52",""
"1567444","9.3375","0.0014","15.828","0.002","21.069","0.003","90","","96.519","0.008","90","","3093.7","0.8","110","2","110","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C32 H52 Fe N2 -","- C32 H52 Fe N2 -","- C128 H208 Fe4 N8 -","4","0.5","","Yang, Po-Chun; Yu, Kuan-Po; Hsieh, Chi-Tien; Zou, Junjie; Fang, Chia-Te; Liu, Hsin-Kuan; Pao, Chih-Wen; Deng, Liang; Cheng, Mu-Jeng; Lin, Chun-Yi","Stabilization of a high-spin three-coordinate Fe(iii) imidyl complex by radical delocalization","Chemical Science","2022","13","33","9637","9643","10.1039/D2SC02699F","","","0.71073","MoKα","","0.1414","0.1255","","","0.321","0.329","","","","","","1.176","","","","has coordinates","277659","2022-09-06","09:56:52",""
"1567445","9.9409","0.001","36.563","0.004","10.6275","0.0011","90","","95.047","0.003","90","","3847.8","0.7","151","2","151","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C42 H67 Fe N3 -","- C42 H67 Fe N3 -","- C168 H268 Fe4 N12 -","4","1","","Yang, Po-Chun; Yu, Kuan-Po; Hsieh, Chi-Tien; Zou, Junjie; Fang, Chia-Te; Liu, Hsin-Kuan; Pao, Chih-Wen; Deng, Liang; Cheng, Mu-Jeng; Lin, Chun-Yi","Stabilization of a high-spin three-coordinate Fe(iii) imidyl complex by radical delocalization","Chemical Science","2022","13","33","9637","9643","10.1039/D2SC02699F","","","0.71073","MoKα","","0.0738","0.0482","","","0.1012","0.1107","","","","","","1.037","","","","has coordinates","277659","2022-09-06","09:56:52",""
"1567447","9.9788","0.0003","15.3329","0.0005","19.7187","0.0006","90","","90","","90","","3017.04","0.16","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H26 B N3 O2 -","- C40 H26 B N3 O2 -","- C160 H104 B4 N12 O8 -","4","1","","van Vliet, Sven; Alachouzos, Georgios; de Vries, Folkert; Pfeifer, Lukas; Feringa, Ben L.","Visible light activated BINOL-derived chiroptical switches based on boron integrated hydrazone complexes","Chemical Science","2022","13","33","9713","9718","10.1039/D2SC03518A","","","1.54178","CuKα","","0.0303","0.0295","","","0.0691","0.0697","","","","","","1.069","","","","has coordinates","277660","2022-09-06","09:57:03",""
"1567448","13.375","0.0004","6.5182","0.0002","18.2995","0.0006","90","","98.281","0.001","90","","1578.73","0.09","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C40 H28 B Cl2 N3 O2 -","- C40 H28 B Cl2 N3 O2 -","- C80 H56 B2 Cl4 N6 O4 -","2","1","","van Vliet, Sven; Alachouzos, Georgios; de Vries, Folkert; Pfeifer, Lukas; Feringa, Ben L.","Visible light activated BINOL-derived chiroptical switches based on boron integrated hydrazone complexes","Chemical Science","2022","13","33","9713","9718","10.1039/D2SC03518A","","","1.54178","CuKα","","0.049","0.0463","","","0.1279","0.1302","","","","","","1.053","","","","has coordinates,has disorder","277660","2022-09-06","09:57:06",""
"1567449","11.298","0.004","14.164","0.006","15.698","0.005","71.621","0.01","71.685","0.018","73.388","0.012","2214","1.4","106","2","106","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H4 Al2 F80 O22 Ru3 -","- C58 H4 Al2 F80 O22 Ru3 -","- C58 H4 Al2 F80 O22 Ru3 -","1","0.5","","Sellin, Malte; Friedmann, Christian; Mayländer, Maximilian; Richert, Sabine; Krossing, Ingo","Towards clustered carbonyl cations [M3(CO)14]2+ (M = Ru, Os): the need for innocent deelectronation","Chemical Science","2022","13","32","9147","9158","10.1039/D2SC02358J","","x-ray","0.71073","MoKα","","0.0217","0.0192","","","0.0453","0.0463","","","","","","1.017","","","","has coordinates","277655","2022-09-06","09:55:50",""
"1567450","11.283","0.003","14.143","0.003","15.714","0.003","71.674","0.009","71.73","0.007","73.486","0.009","2211.9","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C2.76 H0.19 Al0.1 F3.81 O1.05 Os0.14 -","- C2.7619 H0.190476 Al0.0952381 F3.80952 O1.04762 Os0.142857 -","- C58 H4 Al2 F80 O22 Os3 -","21","10.5","","Sellin, Malte; Friedmann, Christian; Mayländer, Maximilian; Richert, Sabine; Krossing, Ingo","Towards clustered carbonyl cations [M3(CO)14]2+ (M = Ru, Os): the need for innocent deelectronation","Chemical Science","2022","13","32","9147","9158","10.1039/D2SC02358J","","x-ray","0.71073","MoKα","","0.0604","0.0411","","","0.0665","0.0713","","","","","","1","","","","has coordinates","277655","2022-09-06","09:55:50",""
"1567451","15.639","0.014","15.156","0.014","41.36","0.04","90","","95.87","0.02","90","","9752","16","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 Al F36 N O17 Ru4 -","- C29 Al F36 N O17 Ru4 -","- C232 Al8 F288 N8 O136 Ru32 -","8","2","","Sellin, Malte; Friedmann, Christian; Mayländer, Maximilian; Richert, Sabine; Krossing, Ingo","Towards clustered carbonyl cations [M3(CO)14]2+ (M = Ru, Os): the need for innocent deelectronation","Chemical Science","2022","13","32","9147","9158","10.1039/D2SC02358J","","x-ray","0.71073","MoKα","","0.0889","0.0436","","","0.074","0.0867","","","","","","1.005","","","","has coordinates,has disorder","277655","2022-09-06","09:55:50",""
"1567452","14.514","0.009","10.566","0.006","18.161","0.011","90","","98.81","0.03","90","","2752","3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 Al2 Cl2 F63 O6 -","- C38 Al2 Cl2 F63 O6 -","- C76 Al4 Cl4 F126 O12 -","2","0.5","","Sellin, Malte; Friedmann, Christian; Mayländer, Maximilian; Richert, Sabine; Krossing, Ingo","Towards clustered carbonyl cations [M3(CO)14]2+ (M = Ru, Os): the need for innocent deelectronation","Chemical Science","2022","13","32","9147","9158","10.1039/D2SC02358J","","x-ray","0.71073","MoKα","","0.0542","0.0421","","","0.0993","0.1061","","","","","","1.072","","","","has coordinates,has disorder","277655","2022-09-06","09:55:50",""
"1567453","11.81","0.004","12.939","0.002","19.507","0.005","102.689","0.009","103.941","0.014","92.667","0.009","2806.8","1.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C68 H2 Al4 F114 O26 Os3 -","- C68 H2 Al4 F114 O26 Os3 -","- C68 H2 Al4 F114 O26 Os3 -","1","0.5","","Sellin, Malte; Friedmann, Christian; Mayländer, Maximilian; Richert, Sabine; Krossing, Ingo","Towards clustered carbonyl cations [M3(CO)14]2+ (M = Ru, Os): the need for innocent deelectronation","Chemical Science","2022","13","32","9147","9158","10.1039/D2SC02358J","","x-ray","0.71073","MoKα","","0.0672","0.0415","","","0.0901","0.102","","","","","","1.003","","","","has coordinates,has disorder","277655","2022-09-06","09:55:50",""
"1567454","18.581","0.003","13.756","0.002","16.816","0.003","90","","90","","90","","4298.2","1.2","109","2","109","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C22 Al F36 I3 O10 Ru2 -","- C21.675 Al F36 I3 O10 Ru2 -","- C86.7 Al4 F144 I12 O40 Ru8 -","4","0.5","","Sellin, Malte; Friedmann, Christian; Mayländer, Maximilian; Richert, Sabine; Krossing, Ingo","Towards clustered carbonyl cations [M3(CO)14]2+ (M = Ru, Os): the need for innocent deelectronation","Chemical Science","2022","13","32","9147","9158","10.1039/D2SC02358J","","x-ray","0.71073","MoKα","","0.0604","0.0528","","","0.1077","0.1107","","","","","","1.193","","","","has coordinates,has disorder","277655","2022-09-06","09:55:50",""
"1567455","20.504","0.004","17.81","0.003","25.217","0.008","90","","107.09","0.02","90","","8802","4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C57 H3 Ag Al2 F61 O30 Os6 -","- C56.996 H3 Ag Al2 F60.991 O29.999 Os6 -","- C227.984 H12 Ag4 Al8 F243.964 O119.996 Os24 -","4","1","","Sellin, Malte; Friedmann, Christian; Mayländer, Maximilian; Richert, Sabine; Krossing, Ingo","Towards clustered carbonyl cations [M3(CO)14]2+ (M = Ru, Os): the need for innocent deelectronation","Chemical Science","2022","13","32","9147","9158","10.1039/D2SC02358J","","x-ray","0.71073","MoKα","","0.0587","0.042","","","0.0881","0.0965","","","","","","1.124","","","","has coordinates,has disorder","277655","2022-09-06","09:55:50",""
"1567456","13.768","0.0016","13.768","0.0016","9.5388","0.0012","90","","90","","90","","1808.2","0.4","100","2","100","2","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C21 Al F36 I O9 Ru -","- C21 Al F36 I O9 Ru -","- C42 Al2 F72 I2 O18 Ru2 -","2","0.25","","Sellin, Malte; Friedmann, Christian; Mayländer, Maximilian; Richert, Sabine; Krossing, Ingo","Towards clustered carbonyl cations [M3(CO)14]2+ (M = Ru, Os): the need for innocent deelectronation","Chemical Science","2022","13","32","9147","9158","10.1039/D2SC02358J","","x-ray","0.71073","MoKα","","0.0288","0.025","","","0.0648","0.0676","","","","","","1.073","","","","has coordinates","277655","2022-09-06","09:55:50",""
"1567457","11.819","0.003","12.94","0.003","19.477","0.005","102.636","0.012","103.912","0.017","92.736","0.017","2805.5","1.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C68 H2 Al4 F114 O26 Ru3 -","- C68 H2 Al4 F114 O26 Ru3 -","- C68 H2 Al4 F114 O26 Ru3 -","1","0.5","","Sellin, Malte; Friedmann, Christian; Mayländer, Maximilian; Richert, Sabine; Krossing, Ingo","Towards clustered carbonyl cations [M3(CO)14]2+ (M = Ru, Os): the need for innocent deelectronation","Chemical Science","2022","13","32","9147","9158","10.1039/D2SC02358J","","x-ray","0.71073","MoKα","","0.0513","0.0382","","","0.0869","0.0962","","","","","","1.032","","","","has coordinates,has disorder","277655","2022-09-06","09:55:50",""
"1567458","12.349","0.006","12.385","0.004","23.041","0.01","90.85","0.02","94.031","0.01","93.152","0.013","3509","3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H2 Ag Al F40 O28 Ru6 -","- C46 H2 Ag Al F40 O28 Ru6 -","- C92 H4 Ag2 Al2 F80 O56 Ru12 -","2","1","","Sellin, Malte; Friedmann, Christian; Mayländer, Maximilian; Richert, Sabine; Krossing, Ingo","Towards clustered carbonyl cations [M3(CO)14]2+ (M = Ru, Os): the need for innocent deelectronation","Chemical Science","2022","13","32","9147","9158","10.1039/D2SC02358J","","x-ray","0.71073","MoKα","","0.0723","0.0495","","","0.0955","0.1053","","","","","","1.07","","","","has coordinates,has disorder","277655","2022-09-06","09:55:50",""
"1567461","9.0815","0.0002","11.6927","0.0002","14.7988","0.0003","90","","102.05","0.001","90","","1536.82","0.05","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 N O2 -","- C19 H21 N O2 -","- C76 H84 N4 O8 -","4","1","","Plöger, Stefanie; Mück-Lichtenfeld, Christian; Daniliuc, Constantin G.; Studer, Armido","Azodioxy compounds as precursors for C-radicals and their application in thermal styrene difunctionalization","Chemical Science","2022","13","33","9749","9754","10.1039/D2SC03860A","","single crystal","1.54178","CuKα","","0.0413","0.0337","","","0.0813","0.0861","","","","","","1.044","","","","has coordinates","277658","2022-09-06","09:56:34",""
"1567476","15.4863","0.0002","16.5824","0.0003","22.2267","0.0002","90","","90","","90","","5707.82","0.14","130","","130","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","gc43","","- C62 H49 F12.1 N6 Ni2 O6 -","- C62 H49 F12.099 N6 Ni2 O6 -","- C248 H196 F48.396 N24 Ni8 O24 -","4","1","","Delamare, Aline; Naulet, Guillaume; Kauffmann, Brice; Guichard, Gilles; Compain, Guillaume","Hexafluoroisobutylation of enolates through a tandem elimination/allylic shift/hydrofluorination reaction","Chemical Science","2022","13","33","9507","9514","10.1039/D2SC02871A","","x-ray","1.54184","CuKα","","0.0308","0.0307","","","0.081","0.081","","","","","","1.059","","","","has coordinates,has disorder","277657","2022-09-06","09:56:23",""
"1567477","6.2917","0.0004","16.636","0.001","9.166","0.0007","90","","102.361","0.008","90","","937.15","0.11","145","","145","","","","","","","","","4","I 1 a 1","I -2ya","9","","","","- C8 H8 F6 O2 -","- C8 H8 F6 O2 -","- C32 H32 F24 O8 -","4","1","","Delamare, Aline; Naulet, Guillaume; Kauffmann, Brice; Guichard, Gilles; Compain, Guillaume","Hexafluoroisobutylation of enolates through a tandem elimination/allylic shift/hydrofluorination reaction","Chemical Science","2022","13","33","9507","9514","10.1039/D2SC02871A","","x-ray","1.54184","CuKα","","0.0553","0.0552","","","0.1525","0.1527","","","","","","1.12","","","","has coordinates","277657","2022-09-06","09:56:24",""
"1567478","11.0205","0.0001","13.9185","0.0001","19.0776","0.0002","90","","90","","90","","2926.29","0.05","130","","130","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","gc79b1f2","","- C31 H25 F7 N3 Ni O3 -","- C31 H25 F7 N3 Ni O3 -","- C124 H100 F28 N12 Ni4 O12 -","4","1","","Delamare, Aline; Naulet, Guillaume; Kauffmann, Brice; Guichard, Gilles; Compain, Guillaume","Hexafluoroisobutylation of enolates through a tandem elimination/allylic shift/hydrofluorination reaction","Chemical Science","2022","13","33","9507","9514","10.1039/D2SC02871A","","","1.54184","CuKα","","0.0309","0.0303","","","0.0812","0.0816","","","","","","1.039","","","","has coordinates,has disorder","277657","2022-09-06","09:56:24",""
"1567479","13.7855","0.0012","5.6753","0.0006","11.6678","0.001","90","","103.923","0.008","90","","886.03","0.15","145","","145","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H4 F6 N2 -","- C7 H4 F6 N2 -","- C28 H16 F24 N8 -","4","1","","Delamare, Aline; Naulet, Guillaume; Kauffmann, Brice; Guichard, Gilles; Compain, Guillaume","Hexafluoroisobutylation of enolates through a tandem elimination/allylic shift/hydrofluorination reaction","Chemical Science","2022","13","33","9507","9514","10.1039/D2SC02871A","","x-ray","1.54184","CuKα","","0.0931","0.079","","","0.2405","0.2569","","","","","","1.076","","","","has coordinates","277657","2022-09-06","09:56:24",""
"1567487","6.2635","0.0005","11.4411","0.001","20.8675","0.0018","90","","90","","90","","1495.4","0.2","90","2","90","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 N O2 S2 -","- C16 H17 N O2 S2 -","- C64 H68 N4 O8 S8 -","4","1","","Lai, Junshan; Reid, Jolene P.","Interrogating the thionium hydrogen bond as a noncovalent stereocontrolling interaction in chiral phosphate catalysis","Chemical Science","2022","13","37","11065","11073","10.1039/D2SC02171D","","x-ray","1.54178","CuKα","","0.0294","0.0262","","","0.0591","0.062","","","","","","1.057","","","","has coordinates","278410","2022-10-07","00:48:56",""
"1567538","9.28","0.001","17.0143","0.0019","10.0461","0.001","90","","115.351","0.005","90","","1433.5","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C33 H39 N O4 -","- C33 H39 N O4 -","- C66 H78 N2 O8 -","2","1","","Balanna, Kuruva; Barik, Soumen; Shee, Sayan; Gonnade, Rajesh G.; Biju, Akkattu T.","Dynamic kinetic resolution of γ,γ-disubstituted indole 2-carboxaldehydes <i>via</i> NHC-Lewis acid cooperative catalysis for the synthesis of tetracyclic ε-lactones.","Chemical science","2022","13","39","11513","11518","10.1039/d2sc03745a","","","1.54178","CuKα","","0.0438","0.0433","","","0.1068","0.1073","","","","","","1.066","","","","has coordinates","278978","2022-11-07","05:19:49",""
"1567539","21.4916","0.0004","18.1316","0.0004","23.7184","0.0004","90","","91.945","0.002","90","","9237.2","0.3","200","0.1","200","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C52 H84 Ag14 F24 N6 O22 S6 -","- C52 H84 Ag14 F24 N6 O22 S6 -","- C208 H336 Ag56 F96 N24 O88 S24 -","4","0.5","","Luo, Xi-Ming; Huang, Shuo; Luo, Peng; Ma, Kai; Wang, Zhao-Yang; Dong, Xi-Yan; Zang, Shuang-Quan","Snapshots of key intermediates unveiling the growth from silver ions to Ag70 nanoclusters","Chemical Science","2022","13","37","11110","11118","10.1039/D2SC04204E","","x-ray","1.54184","CuKα","","0.122","0.1149","","","0.3121","0.3217","","","","","","1.071","","","","has coordinates,has disorder","278405","2022-10-07","00:48:02",""
"1567540","14.2139","0.0005","15.6549","0.0004","17.3498","0.0006","94.12","0.002","110.998","0.003","104.208","0.002","3439.1","0.2","200","0.1","200","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C68 H112 Ag24 F30 N8 O28 S9 -","- C68 H112 Ag24 F30 N8 O28 S9 -","- C68 H112 Ag24 F30 N8 O28 S9 -","1","0.5","","Luo, Xi-Ming; Huang, Shuo; Luo, Peng; Ma, Kai; Wang, Zhao-Yang; Dong, Xi-Yan; Zang, Shuang-Quan","Snapshots of key intermediates unveiling the growth from silver ions to Ag70 nanoclusters","Chemical Science","2022","13","37","11110","11118","10.1039/D2SC04204E","","x-ray","0.71073","MoKα","","0.1009","0.0727","","","0.2291","0.2493","","","","","","1.05","","","","has coordinates,has disorder","278405","2022-10-07","00:48:02",""
"1567541","14.9116","0.0003","16.3962","0.0002","18.2438","0.0003","97.091","0.001","112.841","0.002","104.162","0.001","3864.89","0.13","200","0.1","200","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C62 H77 Ag24 F50 N5 O25 S9 -","- C62 H77 Ag24 F50 N5 O25 S9 -","- C62 H77 Ag24 F50 N5 O25 S9 -","1","0.5","","Luo, Xi-Ming; Huang, Shuo; Luo, Peng; Ma, Kai; Wang, Zhao-Yang; Dong, Xi-Yan; Zang, Shuang-Quan","Snapshots of key intermediates unveiling the growth from silver ions to Ag70 nanoclusters","Chemical Science","2022","13","37","11110","11118","10.1039/D2SC04204E","","x-ray","1.54184","CuKα","","0.1286","0.0995","","","0.3071","0.3306","","","","","","1.03","","","","has coordinates,has disorder","278405","2022-10-07","00:48:02",""
"1567549","11.8514","0.001","30.185","0.003","7.533","0.001","90","","90","","90","","2694.8","0.5","193","","193","","","","","","","","","4","F d d 2","F 2 -2d","43","","1-Hydroxyindolin-2-one","","- C8 H7 N O2 -","- C8 H7 N O2 -","- C128 H112 N16 O32 -","16","1","","Wang, Bin; Ren, Hongyuan; Cao, Hou-Ji; Lu, Changsheng; Yan, Hong","A switchable redox annulation of 2-nitroarylethanols affording N-heterocycles: photoexcited nitro as a multifunctional handle","Chemical Science","2022","13","37","11074","11082","10.1039/D2SC03590A","","","1.34139","GaKα","","0.0477","0.0384","","","0.0902","0.1027","","","","","","0.929","","","","has coordinates","278409","2022-10-07","00:48:46",""
"1567550","35.383","0.002","35.383","0.002","5.235","0.0004","90","","90","","120","","5675.9","0.6","193","","193","","","","","","","","","4","R -3 :H","-R 3","148","","4-(Phenylethynyl)indolin-2-one","","- C16 H11 N O -","- C16 H11 N O -","- C288 H198 N18 O18 -","18","1","","Wang, Bin; Ren, Hongyuan; Cao, Hou-Ji; Lu, Changsheng; Yan, Hong","A switchable redox annulation of 2-nitroarylethanols affording N-heterocycles: photoexcited nitro as a multifunctional handle","Chemical Science","2022","13","37","11074","11082","10.1039/D2SC03590A","","","1.34139","GaKα","","0.073","0.0644","","","0.1805","0.1862","","","","","","1.097","","","","has coordinates","278409","2022-10-07","00:48:47",""
"1567551","9.928","0.0019","9.4716","0.0018","52.455","0.01","90","","90.791","0.006","90","","4932.1","1.6","296.15","","296.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2-(4-(1,2,2-Triphenylvinyl)phenyl)-1H-indole","","- C34 H25 N -","- C34 H25 N -","- C272 H200 N8 -","8","2","","Wang, Bin; Ren, Hongyuan; Cao, Hou-Ji; Lu, Changsheng; Yan, Hong","A switchable redox annulation of 2-nitroarylethanols affording N-heterocycles: photoexcited nitro as a multifunctional handle","Chemical Science","2022","13","37","11074","11082","10.1039/D2SC03590A","","","0.71073","MoKα","","0.1877","0.0702","","","0.1797","0.2298","","","","","","0.983","","","","has coordinates","278409","2022-10-07","00:48:47",""
"1567552","14.0103","0.0013","35.603","0.003","11.376","0.0013","90","","117.174","0.003","90","","5048.1","0.9","296.15","","296.15","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C21 H19 N O3 -","- C21 H19 N O3 -","- C252 H228 N12 O36 -","12","3","","Wang, Bin; Ren, Hongyuan; Cao, Hou-Ji; Lu, Changsheng; Yan, Hong","A switchable redox annulation of 2-nitroarylethanols affording N-heterocycles: photoexcited nitro as a multifunctional handle","Chemical Science","2022","13","37","11074","11082","10.1039/D2SC03590A","","","0.71073","MoKα","","0.1015","0.0729","","","0.2031","0.2247","","","","","","1.041","","","","has coordinates","278409","2022-10-07","00:48:47",""
"1567572","9.4017","0.0004","10.5681","0.0005","12.696","0.0006","66.4289","0.001","77.1738","0.0011","84.9305","0.0011","1127.35","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H40 Br4 Co2 N4 O6 -","- C44 H40 Br4 Co2 N4 O6 -","- C44 H40 Br4 Co2 N4 O6 -","1","0.5","","Takebayashi, Satoshi; Fayzullin, Robert R.; Bansal, Richa","Direct observation of reversible bond homolysis by 2D EXSY NMR","Chemical Science","2022","13","32","9202","9209","10.1039/D2SC03028D","","x-ray","0.71073","MoKα","","0.0357","0.0291","","","0.0718","0.0749","","","","","","1.03","","","","has coordinates","277624","2022-09-05","06:14:35",""
"1567573","11.59303","0.00007","11.77994","0.00006","21.25835","0.00012","90","","91.1883","0.0005","90","","2902.53","0.03","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H44 Co N3 O2 -","- C31 H44 Co N3 O2 -","- C124 H176 Co4 N12 O8 -","4","1","","Takebayashi, Satoshi; Fayzullin, Robert R.; Bansal, Richa","Direct observation of reversible bond homolysis by 2D EXSY NMR","Chemical Science","2022","13","32","9202","9209","10.1039/D2SC03028D","","x-ray","1.54184","CuKα","","0.0319","0.0307","","","0.0855","0.0863","","","","","","1.085","","","","has coordinates,has disorder","277624","2022-09-05","06:14:41",""
"1567574","10.9817","0.0004","17.1391","0.0006","31.4588","0.0011","90","","90","","90","","5921.1","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C68 H68 Co2 N4 O6 -","- C68 H68 Co2 N4 O6 -","- C272 H272 Co8 N16 O24 -","4","0.5","","Takebayashi, Satoshi; Fayzullin, Robert R.; Bansal, Richa","Direct observation of reversible bond homolysis by 2D EXSY NMR","Chemical Science","2022","13","32","9202","9209","10.1039/D2SC03028D","","x-ray","0.71073","MoKα","","0.0564","0.0431","","","0.1051","0.1125","","","","","","1.109","","","","has coordinates,has disorder","277624","2022-09-05","06:14:50",""
"1567575","11.1838","0.0005","12.1674","0.0006","15.6011","0.0008","72.164","0.002","70.4512","0.0018","89.2308","0.0019","1895.03","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C84 H100 Co2 N4 O6 -","- C84 H100 Co2 N4 O6 -","- C84 H100 Co2 N4 O6 -","1","0.5","","Takebayashi, Satoshi; Fayzullin, Robert R.; Bansal, Richa","Direct observation of reversible bond homolysis by 2D EXSY NMR","Chemical Science","2022","13","32","9202","9209","10.1039/D2SC03028D","","x-ray","0.71073","MoKα","","0.0417","0.0321","","","0.0751","0.0798","","","","","","1.031","","","","has coordinates,has disorder","277624","2022-09-05","06:14:51",""
"1567576","11.1341","0.0004","13.1609","0.0004","17.4589","0.0006","81.674","0.0009","71.6133","0.0009","84.1723","0.0009","2397.89","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H60 Co2 N4 O6 -","- C52 H60 Co2 N4 O6 -","- C104 H120 Co4 N8 O12 -","2","1","","Takebayashi, Satoshi; Fayzullin, Robert R.; Bansal, Richa","Direct observation of reversible bond homolysis by 2D EXSY NMR","Chemical Science","2022","13","32","9202","9209","10.1039/D2SC03028D","","x-ray","0.71073","MoKα","","0.0536","0.034","","","0.0749","0.0863","","","","","","1.046","","","","has coordinates","277624","2022-09-05","06:14:51",""
"1567577","14.3182","0.0003","12.0109","0.0003","15.9104","0.0004","90","","97.507","0.0007","90","","2712.73","0.11","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C57 H72 Co2 N4 O10 -","- C57 H72 Co2 N4 O10 -","- C114 H144 Co4 N8 O20 -","2","0.5","","Takebayashi, Satoshi; Fayzullin, Robert R.; Bansal, Richa","Direct observation of reversible bond homolysis by 2D EXSY NMR","Chemical Science","2022","13","32","9202","9209","10.1039/D2SC03028D","","x-ray","0.71073","MoKα","","0.0581","0.0501","","","0.1358","0.1419","","","","","","1.07","","","","has coordinates,has disorder","277624","2022-09-05","06:14:51",""
"1567578","13.2692","0.0003","15.2605","0.0004","16.5352","0.0004","77.6834","0.0004","76.0242","0.0005","66.204","0.0004","2947.53","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H80 Co2 N8 O6 -","- C60 H80 Co2 N8 O6 -","- C120 H160 Co4 N16 O12 -","2","1","","Takebayashi, Satoshi; Fayzullin, Robert R.; Bansal, Richa","Direct observation of reversible bond homolysis by 2D EXSY NMR","Chemical Science","2022","13","32","9202","9209","10.1039/D2SC03028D","","x-ray","0.71073","MoKα","","0.0528","0.0433","","","0.1086","0.1133","","","","","","1.08","","","","has coordinates,has disorder","277624","2022-09-05","06:14:51",""
"1567579","13.5589","0.0003","35.2233","0.001","16.1183","0.0005","90","","105.07","0.001","90","","7433.2","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H58 Co2 N4 O6 -","- C54 H58 Co2 N4 O6 -","- C324 H348 Co12 N24 O36 -","6","1.5","","Takebayashi, Satoshi; Fayzullin, Robert R.; Bansal, Richa","Direct observation of reversible bond homolysis by 2D EXSY NMR","Chemical Science","2022","13","32","9202","9209","10.1039/D2SC03028D","","x-ray","0.71073","MoKα","","0.046","0.0326","","","0.0831","0.0914","","","","","","1.057","","","","has coordinates,has disorder","277624","2022-09-05","06:14:51",""
"1567580","14.2247","0.0005","18.7107","0.0006","19.0753","0.001","109.83","0.004","93.98","0.003","103.16","0.003","4590.5","0.4","150","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C53 H76 N2 O -","- C53 H76 N2 O -","- C212 H304 N8 O4 -","4","2","","Théry, Valentin; Molton, Florian; Sirach, Selim; Tillet, Neven; Pécaut, Jacques; Tomás-Mendivil, Eder; Martin, David","The curious case of a sterically crowded Stenhouse salt","Chemical Science","2022","13","33","9755","9760","10.1039/D2SC01895K","","x-ray","0.71073","MoKα","","0.1188","0.0595","","","0.0948","0.1136","","","","","","1.013","","","","has coordinates","277625","2022-09-05","06:17:09",""
"1567581","13.0058","0.0006","18.6532","0.0008","20.2559","0.0008","90","","107.607","0.005","90","","4683.9","0.4","150.3","0.5","150.3","0.5","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C53 H79 Cl N2 O2 -","- C53 H79 Cl N2 O2 -","- C212 H316 Cl4 N8 O8 -","4","1","","Théry, Valentin; Molton, Florian; Sirach, Selim; Tillet, Neven; Pécaut, Jacques; Tomás-Mendivil, Eder; Martin, David","The curious case of a sterically crowded Stenhouse salt","Chemical Science","2022","13","33","9755","9760","10.1039/D2SC01895K","","x-ray","0.71073","MoKα","","0.1626","0.064","","","0.0926","0.1241","","","","","","0.916","","","","has coordinates","277625","2022-09-05","06:17:18",""
"1567582","17.3378","0.0009","16.0403","0.001","38.924","0.002","90","","95.096","0.005","90","","10782.1","1","150","0.14","150","0.14","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C57 H84 F3 N2 O4.5 S -","- C57 H84 F3 N2 O4.5 S -","- C456 H672 F24 N16 O36 S8 -","8","1","","Théry, Valentin; Molton, Florian; Sirach, Selim; Tillet, Neven; Pécaut, Jacques; Tomás-Mendivil, Eder; Martin, David","The curious case of a sterically crowded Stenhouse salt","Chemical Science","2022","13","33","9755","9760","10.1039/D2SC01895K","","x-ray","0.71073","MoKα","","0.1844","0.0859","","","0.2195","0.2793","","","","","","1.014","","","","has coordinates,has disorder","277625","2022-09-05","06:17:20",""
"1567583","12.152","0.0008","31.9515","0.0018","14.2567","0.0007","90","","97.129","0.005","90","","5492.7","0.6","150","0.14","150","0.14","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C54 H78 Cl2 F12 N2 O P2 -","- C54 H78 Cl2 F12 N2 O P2 -","- C216 H312 Cl8 F48 N8 O4 P8 -","4","1","","Théry, Valentin; Molton, Florian; Sirach, Selim; Tillet, Neven; Pécaut, Jacques; Tomás-Mendivil, Eder; Martin, David","The curious case of a sterically crowded Stenhouse salt","Chemical Science","2022","13","33","9755","9760","10.1039/D2SC01895K","","x-ray","0.71073","MoKα","","0.2151","0.0942","","","0.2009","0.2575","","","","","","1.002","","","","has coordinates","277625","2022-09-05","06:17:21",""
"1567601","11.5827","0.0006","15.4151","0.0005","27.061","0.0012","90","","90.708","0.002","90","","4831.3","0.4","100","2","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C60 H68 Ga N4 P -","- C60 H68 Ga N4 P -","- C240 H272 Ga4 N16 P4 -","4","1","","Sigmund, Lukas M.; Engels, Eliane; Richert, Nick; Greb, Lutz","Calix[4]pyrrolato gallate: square planar-coordinated gallium(iii) and its metal–ligand cooperative reactivity with CO2 and alcohols","Chemical Science","2022","13","37","11215","11220","10.1039/D2SC03054C","","x-ray","0.71073","MoKα","","0.0791","0.0547","","","0.1224","0.1368","","","","","","1.042","","","","has coordinates,has disorder","278404","2022-10-07","00:47:44",""
"1567602","25.411","0.0018","16.6359","0.0013","23.7139","0.0018","90","","107.797","0.003","90","","9545","1.3","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52.5 H53 Cl Ga N4 P -","- C52.5 H53 Cl Ga N4 P -","- C420 H424 Cl8 Ga8 N32 P8 -","8","2","","Sigmund, Lukas M.; Engels, Eliane; Richert, Nick; Greb, Lutz","Calix[4]pyrrolato gallate: square planar-coordinated gallium(iii) and its metal–ligand cooperative reactivity with CO2 and alcohols","Chemical Science","2022","13","37","11215","11220","10.1039/D2SC03054C","","","0.71073","MoKα","","0.0735","0.0463","","","0.1083","0.1219","","","","","","1.027","","","","has coordinates","278404","2022-10-07","00:47:44",""
"1567603","13.0677","0.0006","21.406","0.0011","17.1423","0.0007","90","","108.63","0.002","90","","4543.9","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H60 Ga N4 O P -","- C56 H60 Ga N4 O P -","- C224 H240 Ga4 N16 O4 P4 -","4","1","","Sigmund, Lukas M.; Engels, Eliane; Richert, Nick; Greb, Lutz","Calix[4]pyrrolato gallate: square planar-coordinated gallium(iii) and its metal–ligand cooperative reactivity with CO2 and alcohols","Chemical Science","2022","13","37","11215","11220","10.1039/D2SC03054C","","x-ray","0.71073","MoKα","","0.0272","0.0254","","","0.0689","0.07","","","","","","1.061","","","","has coordinates","278404","2022-10-07","00:47:44",""
"1567608","10.9102","0.0003","6.1038","0.0002","14.7452","0.0004","90","","99.5","0.003","90","","968.47","0.05","173","0.1","173","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H29 N -","- C23 H29 N -","- C46 H58 N2 -","2","1","","Sun, Yue; Ma, Chun; Li, Zhiming; Zhang, Junliang","Palladium/GF-Phos-catalyzed asymmetric carbenylative amination to access chiral pyrrolidines and piperidines","Chemical Science","2022","13","37","11150","11155","10.1039/D2SC03999K","","x-ray","1.54184","CuKα","","0.0491","0.0465","","","0.1281","0.1301","","","","","","1.039","","","","has coordinates","278412","2022-10-07","00:49:33",""
"1567609","21.1343","0.0008","13.7339","0.0007","7.328","0.0003","90","","90","","90","","2127","0.16","100","","100","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C23 H16 I3 N -","- C23 H16 I3 N -","- C92 H64 I12 N4 -","4","0.5","","Decato, Daniel A.; Sun, Jiyu; Boller, Madeleine R.; Berryman, Orion B.","Pushing the limits of the hydrogen bond enhanced halogen bond—the case of the C–H hydrogen bond","Chemical Science","2022","13","37","11156","11162","10.1039/D2SC03792K","","x-ray","0.71073","MoKα","","0.0453","0.0251","","","0.0345","0.0382","","","","","","1.053","","","","has coordinates,has disorder","278411","2022-10-07","00:49:23",""
"1567610","8.0838","0.0002","11.8898","0.0004","12.2871","0.0004","64.355","0.001","77.901","0.001","77.39","0.001","1030.02","0.06","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H14 I3 N -","- C22 H14 I3 N -","- C44 H28 I6 N2 -","2","1","","Decato, Daniel A.; Sun, Jiyu; Boller, Madeleine R.; Berryman, Orion B.","Pushing the limits of the hydrogen bond enhanced halogen bond—the case of the C–H hydrogen bond","Chemical Science","2022","13","37","11156","11162","10.1039/D2SC03792K","","x-ray","0.71073","MoKα","","0.0218","0.0171","","","0.0352","0.0362","","","","","","1.097","","","","has coordinates","278411","2022-10-07","00:49:23",""
"1567611","8.5783","0.0004","11.1636","0.0006","13.3063","0.0007","74.307","0.002","71.324","0.002","79.269","0.002","1155.23","0.1","100","2","100","","","","","","","","","7","P -1","-P 1","2","","","","- C23 H14 F3 I2 N O3 S -","- C23 H14 F3 I2 N O3 S -","- C46 H28 F6 I4 N2 O6 S2 -","2","1","","Decato, Daniel A.; Sun, Jiyu; Boller, Madeleine R.; Berryman, Orion B.","Pushing the limits of the hydrogen bond enhanced halogen bond—the case of the C–H hydrogen bond","Chemical Science","2022","13","37","11156","11162","10.1039/D2SC03792K","","x-ray","0.71073","MoKα","","0.0451","0.0276","","","0.0474","0.0517","","","","","","1.079","","","","has coordinates","278411","2022-10-07","00:49:23",""
"1567612","21.0883","0.0017","13.773","0.0011","7.3022","0.0006","90","","90","","90","","2120.9","0.3","100","","100","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C22 H15 I3 N2 -","- C22 H15 I3 N2 -","- C88 H60 I12 N8 -","4","0.5","","Decato, Daniel A.; Sun, Jiyu; Boller, Madeleine R.; Berryman, Orion B.","Pushing the limits of the hydrogen bond enhanced halogen bond—the case of the C–H hydrogen bond","Chemical Science","2022","13","37","11156","11162","10.1039/D2SC03792K","","x-ray","0.71073","MoKα","","0.0636","0.0362","","","0.0671","0.0744","","","","","","1.063","","","","has coordinates,has disorder","278411","2022-10-07","00:49:23",""
"1567613","21.0383","0.0012","13.782","0.0008","7.3031","0.0004","90","","90","","90","","2117.5","0.2","100","","100","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C22 H14 I3 N -","- C22 H14 I3 N -","- C88 H56 I12 N4 -","4","0.5","","Decato, Daniel A.; Sun, Jiyu; Boller, Madeleine R.; Berryman, Orion B.","Pushing the limits of the hydrogen bond enhanced halogen bond—the case of the C–H hydrogen bond","Chemical Science","2022","13","37","11156","11162","10.1039/D2SC03792K","","x-ray","0.71073","MoKα","","0.0444","0.0265","","","0.0446","0.0484","","","","","","1.058","","","","has coordinates,has disorder","278411","2022-10-07","00:49:23",""
"1567614","7.2077","0.0005","12.3954","0.0008","14.0967","0.0009","98.565","0.002","101.823","0.002","91.413","0.002","1216.98","0.14","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C24 H16 F3 I2 N O3 S -","- C24 H16 F3 I2 N O3 S -","- C48 H32 F6 I4 N2 O6 S2 -","2","1","","Decato, Daniel A.; Sun, Jiyu; Boller, Madeleine R.; Berryman, Orion B.","Pushing the limits of the hydrogen bond enhanced halogen bond—the case of the C–H hydrogen bond","Chemical Science","2022","13","37","11156","11162","10.1039/D2SC03792K","","x-ray","0.71073","MoKα","K-L~3~","0.0441","0.0315","","","0.065","0.0683","","","","","","1.176","","","","has coordinates","278411","2022-10-07","00:49:23",""
"1567615","7.1362","0.0003","12.3559","0.0006","14.2656","0.0007","98.46","0.002","103.067","0.002","94.936","0.002","1202.63","0.1","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C23 H14 F3 I2 N O3 S -","- C23 H14 F3 I2 N O3 S -","- C46 H28 F6 I4 N2 O6 S2 -","2","1","","Decato, Daniel A.; Sun, Jiyu; Boller, Madeleine R.; Berryman, Orion B.","Pushing the limits of the hydrogen bond enhanced halogen bond—the case of the C–H hydrogen bond","Chemical Science","2022","13","37","11156","11162","10.1039/D2SC03792K","","x-ray","0.71073","MoKα","K-L~3~","0.033","0.0275","","","0.0658","0.0678","","","","","","1.166","","","","has coordinates","278411","2022-10-07","00:49:23",""
"1567616","22.544","0.003","22.544","0.003","9.5927","0.0011","90","","90","","90","","4875.3","1.1","100","","100","","","","","","","","","7","P -4 21 c","P -4 2n","114","","","","- C23 H15 F3 I2 N2 O3 S -","- C23 H15 F3 I2 N2 O3 S -","- C184 H120 F24 I16 N16 O24 S8 -","8","1","","Decato, Daniel A.; Sun, Jiyu; Boller, Madeleine R.; Berryman, Orion B.","Pushing the limits of the hydrogen bond enhanced halogen bond—the case of the C–H hydrogen bond","Chemical Science","2022","13","37","11156","11162","10.1039/D2SC03792K","","x-ray","0.71073","MoKα","K-L~3~","0.0358","0.0248","","","0.0467","0.0506","","","","","","1.098","","","","has coordinates,has disorder","278411","2022-10-07","00:49:23",""
"1567617","22.116","0.007","17.029","0.005","16.379","0.008","90","","124.27","0.01","90","","5098","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C59 H51 F6 N5 O6 S2 -","- C59 H51 F6 N5 O6 S2 -","- C236 H204 F24 N20 O24 S8 -","4","0.5","","Karak, Pirudhan; Choudhury, Joyanta","Conformationally flexible heterohelicenes as stimuli-controlled soft molecular springs","Chemical Science","2022","13","37","11163","11173","10.1039/D2SC04006A","","","0.71073","MoKα","","0.0786","0.0594","","","0.1554","0.1713","","","","","","1.034","","","","has coordinates,has disorder","278413","2022-10-07","00:49:56",""
"1567618","8.4766","0.0009","15.6816","0.0016","28.099","0.002","90","","95.655","0.003","90","","3716.9","0.6","140.01","","140.01","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C51 H45 N5 -","- C51 H45 N5 -","- C204 H180 N20 -","4","1","","Karak, Pirudhan; Choudhury, Joyanta","Conformationally flexible heterohelicenes as stimuli-controlled soft molecular springs","Chemical Science","2022","13","37","11163","11173","10.1039/D2SC04006A","","","0.71073","MoKα","","0.1547","0.0735","","","0.1281","0.1526","","","","","","1.051","","","","has coordinates","278413","2022-10-07","00:49:56",""
"1567619","17.0926","0.0014","16.467","0.0012","17.5046","0.0013","90","","113.674","0.002","90","","4512.3","0.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C57 H49 Cl4 N5 -","- C57 H49 Cl4 N5 -","- C228 H196 Cl16 N20 -","4","1","","Karak, Pirudhan; Choudhury, Joyanta","Conformationally flexible heterohelicenes as stimuli-controlled soft molecular springs","Chemical Science","2022","13","37","11163","11173","10.1039/D2SC04006A","","","0.71073","MoKα","","0.137","0.0789","","","0.1489","0.173","","","","","","1.043","","","","has coordinates,has disorder","278413","2022-10-07","00:49:56",""
"1567620","15.6999","0.0009","18.4945","0.001","20.4988","0.0011","90","","91.779","0.003","90","","5949.2","0.6","296","2","296.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C59 H55 Cl6 I2 N5 Rh2 -","- C59 H55 Cl6 I2 N5 Rh2 -","- C236 H220 Cl24 I8 N20 Rh8 -","4","0.5","","Karak, Pirudhan; Choudhury, Joyanta","Conformationally flexible heterohelicenes as stimuli-controlled soft molecular springs","Chemical Science","2022","13","37","11163","11173","10.1039/D2SC04006A","","","0.71073","MoKα","","0.0429","0.0344","","","0.0766","0.081","","","","","","1.042","","","","has coordinates","278413","2022-10-07","00:49:56",""
"1567621","16.175","0.0004","18.4493","0.0005","18.016","0.0005","90","","102.497","0.001","90","","5248.9","0.2","296","2","296.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C57 H55 Cl2 F6 N5 O6 S2 -","- C57 H55 Cl2 F6 N5 O6 S2 -","- C228 H220 Cl8 F24 N20 O24 S8 -","4","1","","Karak, Pirudhan; Choudhury, Joyanta","Conformationally flexible heterohelicenes as stimuli-controlled soft molecular springs","Chemical Science","2022","13","37","11163","11173","10.1039/D2SC04006A","","","0.71073","MoKα","","0.1006","0.0666","","","0.1785","0.1994","","","","","","1.089","","","","has coordinates,has disorder","278413","2022-10-07","00:49:56",""
"1567630","24.1916","0.0017","9.9649","0.0005","14.5436","0.0011","90","","112.784","0.003","90","","3232.4","0.4","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H13 F2 N O -","- C22 H13 F2 N O -","- C176 H104 F16 N8 O8 -","8","1","","Wang, Gang; Li, Wenqi; Liu, Tianxiang; Zhang, Yonghong; Wang, Bin; Xue, Fei; Jin, Weiwei; Ma, Caiyan; Xia, Yu; Liu, Chenjiang","Palladium-catalyzed intramolecular Heck dearomative <i>gem</i>-difluorovinylation of indoles.","Chemical science","2022","13","39","11594","11599","10.1039/d2sc03169h","","","0.71073","MoKα","","0.0563","0.0425","","","0.1029","0.1139","","","","","","1.105","","","","has coordinates","278983","2022-11-07","05:20:47",""
"1567631","13.16","0.004","7.282","0.002","14.2","0.004","90","","99.631","0.006","90","","1341.6","0.7","296.15","","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H11 F2 N O -","- C17 H11 F2 N O -","- C68 H44 F8 N4 O4 -","4","1","","Wang, Gang; Li, Wenqi; Liu, Tianxiang; Zhang, Yonghong; Wang, Bin; Xue, Fei; Jin, Weiwei; Ma, Caiyan; Xia, Yu; Liu, Chenjiang","Palladium-catalyzed intramolecular Heck dearomative <i>gem</i>-difluorovinylation of indoles.","Chemical science","2022","13","39","11594","11599","10.1039/d2sc03169h","","","0.71073","MoKα","","0.1363","0.0488","","","0.0836","0.1102","","","","","","0.974","","","","has coordinates","278983","2022-11-07","05:20:47",""
"1567632","20.192","0.0008","20.192","0.0008","11.043","0.0005","90","","90","","90","","4502.4","0.3","296.15","","296.15","","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C25 H30 N2 O2 -","- C25 H30 N2 O2 -","- C200 H240 N16 O16 -","8","1","","Wang, Gang; Li, Wenqi; Liu, Tianxiang; Zhang, Yonghong; Wang, Bin; Xue, Fei; Jin, Weiwei; Ma, Caiyan; Xia, Yu; Liu, Chenjiang","Palladium-catalyzed intramolecular Heck dearomative <i>gem</i>-difluorovinylation of indoles.","Chemical science","2022","13","39","11594","11599","10.1039/d2sc03169h","","","0.71073","MoKα","","0.1518","0.0709","","","0.1481","0.1737","","","","","","0.952","","","","has coordinates","278983","2022-11-07","05:20:47",""
"1567633","20.891","0.005","8.271","0.003","44.433","0.012","90","","102.813","0.01","90","","7486","4","173","2","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C96 H85 N3 O4 S2 -","- C94 H82 N2 O4 S2 -","- C376 H328 N8 O16 S8 -","4","1","","Zhu, Jiangyu; Li, Wenhao; Zhang, Ning; An, Dongyue; Zhao, Yan; Lu, Xuefeng; Liu, Yunqi","Size-dependent properties and unusual reactivity of novel nonplanar heterocycloarenes","Chemical Science","2022","13","37","11174","11182","10.1039/D2SC03167A","","","1.54178","CuKα","","0.1718","0.1193","","","0.3121","0.3619","","","","","","1.21","","","","has coordinates","278414","2022-10-07","00:50:08",""
"1567634","12.745","0.004","14.782","0.004","19.522","0.004","82.434","0.012","83.954","0.019","80.211","0.017","3579.8","1.7","173","2","173","","","","","","","","","6","P -1","-P 1","2","","","","- C80 H48 Cl6 N2 O8 S2 -","- C79 H47 Cl3 N2 O8 S2 -","- C158 H94 Cl6 N4 O16 S4 -","2","1","","Zhu, Jiangyu; Li, Wenhao; Zhang, Ning; An, Dongyue; Zhao, Yan; Lu, Xuefeng; Liu, Yunqi","Size-dependent properties and unusual reactivity of novel nonplanar heterocycloarenes","Chemical Science","2022","13","37","11174","11182","10.1039/D2SC03167A","","","1.54178","CuKα","","0.0847","0.063","","","0.1836","0.2017","","","","","","1.052","","","","has coordinates,has disorder","278414","2022-10-07","00:50:08",""
"1567637","6.3182","0.0001","39.6141","0.0008","7.7124","0.0002","90","","111.769","0.001","90","","1792.68","0.07","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H27 N O2 -","- C20 H27 N O2 -","- C80 H108 N4 O8 -","4","1","","Cooper, Phillippa; Dalling, Andrew G.; Farrar, Elliot H. E.; Aldhous, Timothy P.; Grélaud, Simon; Lester, Eleanor; Feron, Lyman J.; Kemmitt, Paul D.; Grayson, Matthew N.; Bower, John F.","Atom and step economical synthesis of acyclic quaternary centers via iridium-catalyzed hydroarylative cross-coupling of 1,1-disubstituted alkenes","Chemical Science","2022","13","37","11183","11189","10.1039/D2SC02790A","","","0.71073","MoKα","","0.0777","0.055","","","0.1085","0.1172","","","","","","1.096","","","","has coordinates","278408","2022-10-07","00:48:33",""
"1567641","6.36017","0.00018","7.8529","0.0002","20.1551","0.001","91.523","0.004","91.016","0.004","93.88","0.002","1003.81","0.06","129","14","129","14","","","","","","","","4","P -1","-P 1","2","","","","- C21 H29 Br O4 -","- C21 H29 Br O4 -","- C42 H58 Br2 O8 -","2","1","","Chen, Hao; Li, Tian-Ren; Sakai, Naomi; Besnard, Celine; Guénée, Laure; Pupier, Marion; Viger-Gravel, Jasmine; Tiefenbacher, Konrad; Matile, Stefan","Decoded fingerprints of hyperresponsive, expanding product space: polyether cascade cyclizations as tools to elucidate supramolecular catalysis","Chemical Science","2022","13","35","10273","10280","10.1039/D2SC03991E","","x-ray","1.54184","CuKα","","0.0375","0.0344","","","0.0768","0.0788","","","","","","1.033","","","","has coordinates","277845","2022-09-14","22:09:06",""
"1567642","10.6941","0.0003","8.218","0.0002","46.3766","0.0014","90","","90","","90","","4075.8","0.2","296","0.3","296","0.3","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H29 Br O4 -","- C21 H29 Br O4 -","- C168 H232 Br8 O32 -","8","1","","Chen, Hao; Li, Tian-Ren; Sakai, Naomi; Besnard, Celine; Guénée, Laure; Pupier, Marion; Viger-Gravel, Jasmine; Tiefenbacher, Konrad; Matile, Stefan","Decoded fingerprints of hyperresponsive, expanding product space: polyether cascade cyclizations as tools to elucidate supramolecular catalysis","Chemical Science","2022","13","35","10273","10280","10.1039/D2SC03991E","","x-ray","1.54184","CuKα","","0.0444","0.043","","","0.1083","0.1094","","","","","","1.051","","","","has coordinates","277845","2022-09-14","22:09:07",""
"1567643","6.41587","0.00011","12.0405","0.0003","13.3039","0.0003","94.139","0.002","91.6023","0.0017","101.288","0.0017","1004.29","0.04","119.99","0.1","119.99","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C21 H29 Br O4 -","- C21 H29 Br O4 -","- C42 H58 Br2 O8 -","2","1","","Chen, Hao; Li, Tian-Ren; Sakai, Naomi; Besnard, Celine; Guénée, Laure; Pupier, Marion; Viger-Gravel, Jasmine; Tiefenbacher, Konrad; Matile, Stefan","Decoded fingerprints of hyperresponsive, expanding product space: polyether cascade cyclizations as tools to elucidate supramolecular catalysis","Chemical Science","2022","13","35","10273","10280","10.1039/D2SC03991E","","x-ray","1.54184","CuKα","","0.0412","0.0361","","","0.096","0.0986","","","","","","1.06","","","","has coordinates","277845","2022-09-14","22:09:07",""
"1567644","5.8614","0.0002","15.5412","0.0007","14.8746","0.0007","90","","90.764","0.004","90","","1354.85","0.1","119.99","0.1","119.99","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H26 O3 -","- C14 H26 O3 -","- C56 H104 O12 -","4","1","","Chen, Hao; Li, Tian-Ren; Sakai, Naomi; Besnard, Celine; Guénée, Laure; Pupier, Marion; Viger-Gravel, Jasmine; Tiefenbacher, Konrad; Matile, Stefan","Decoded fingerprints of hyperresponsive, expanding product space: polyether cascade cyclizations as tools to elucidate supramolecular catalysis","Chemical Science","2022","13","35","10273","10280","10.1039/D2SC03991E","","x-ray","1.54184","CuKα","","0.084","0.0735","","","0.1494","0.1561","","","","","","1.088","","","","has coordinates","277845","2022-09-14","22:09:07",""
"1567645","14.0432","0.0005","7.0309","0.0003","21.1186","0.0008","90","","100.447","0.004","90","","2050.61","0.14","119.99","0.1","119.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H29 Br O4 -","- C21 H29 Br O4 -","- C84 H116 Br4 O16 -","4","1","","Chen, Hao; Li, Tian-Ren; Sakai, Naomi; Besnard, Celine; Guénée, Laure; Pupier, Marion; Viger-Gravel, Jasmine; Tiefenbacher, Konrad; Matile, Stefan","Decoded fingerprints of hyperresponsive, expanding product space: polyether cascade cyclizations as tools to elucidate supramolecular catalysis","Chemical Science","2022","13","35","10273","10280","10.1039/D2SC03991E","","x-ray","1.54184","CuKα","","0.0292","0.0264","","","0.0677","0.0691","","","","","","1.072","","","","has coordinates","277845","2022-09-14","22:09:07",""
"1567646","6.28197","0.00017","12.2599","0.0004","19.1503","0.0005","89.562","0.002","87.114","0.002","78.209","0.003","1441.93","0.07","120","0.1","120","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C35 H38 O4 -","- C35 H38 O4 -","- C70 H76 O8 -","2","1","","Chen, Hao; Li, Tian-Ren; Sakai, Naomi; Besnard, Celine; Guénée, Laure; Pupier, Marion; Viger-Gravel, Jasmine; Tiefenbacher, Konrad; Matile, Stefan","Decoded fingerprints of hyperresponsive, expanding product space: polyether cascade cyclizations as tools to elucidate supramolecular catalysis","Chemical Science","2022","13","35","10273","10280","10.1039/D2SC03991E","","x-ray","1.54184","CuKα","","0.0825","0.0729","","","0.182","0.189","","","","","","1.088","","","","has coordinates,has disorder","277845","2022-09-14","22:09:07",""
"1567647","7.44418","0.0001","11.53654","0.00018","12.84945","0.00019","69.1422","0.0014","81.678","0.0012","84.3027","0.0012","1018.98","0.03","120.01","0.1","120.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C21 H29 Br O4 -","- C21 H29 Br O4 -","- C42 H58 Br2 O8 -","2","1","","Chen, Hao; Li, Tian-Ren; Sakai, Naomi; Besnard, Celine; Guénée, Laure; Pupier, Marion; Viger-Gravel, Jasmine; Tiefenbacher, Konrad; Matile, Stefan","Decoded fingerprints of hyperresponsive, expanding product space: polyether cascade cyclizations as tools to elucidate supramolecular catalysis","Chemical Science","2022","13","35","10273","10280","10.1039/D2SC03991E","","x-ray","1.54184","CuKα","","0.0251","0.0247","","","0.062","0.0623","","","","","","1.053","","","","has coordinates","277845","2022-09-14","22:09:07",""
"1567648","10.5777","0.0002","41.8595","0.0007","10.6059","0.0002","90","","115.198","0.001","90","","4249.18","0.14","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","tert-Butyl (R)-(1-([1,1'-biphenyl]-4-yl)-2-oxo-2-phenylethyl)carbamate","","- C25 H25 N O3 -","- C25 H25 N O3 -","- C200 H200 N8 O24 -","8","4","","Guo, Wengang; Jiang, Feng; Li, Shijia; Sun, Jianwei","Organocatalytic asymmetric azidation of sulfoxonium ylides: mild synthesis of enantioenriched α-azido ketones bearing a labile tertiary stereocenter.","Chemical science","2022","13","39","11648","11655","10.1039/d2sc03552a","","","1.54178","CuKα","","0.0425","0.0386","","","0.103","0.1071","","","","","","1.02","","","","has coordinates","278981","2022-11-07","05:20:19",""
"1567649","13.2426","0.0005","7.9314","0.0003","15.6465","0.0005","90","","101.402","0.002","90","","1610.96","0.1","100","","99.98","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Cr(Cp)(CH(SiMe3)2)Cl]2","di[(bistrimethylsilyl)methyl)(cyclopentadienyl)chromium(chlorido)]","","- C24 H48 Cl2 Cr2 Si4 -","- C24 H48 Cl2 Cr2 Si4 -","- C48 H96 Cl4 Cr4 Si8 -","2","0.5","","Trummer, David; Nobile, Anna Giorgia; Payard, Pierre-Adrien; Ashuiev, Anton; Kakiuchi, Yuya; Klose, Daniel; Jeschke, Gunnar; Copéret, Christophe","Union carbide polymerization catalysts: from uncovering active site structures to designing molecularly-defined analogs","Chemical Science","2022","13","37","11091","11098","10.1039/D2SC04235E","","x-ray","0.71073","MoKα","","0.0492","0.0373","","","0.0977","0.1036","","","","","","1.07","","","","has coordinates","278407","2022-10-07","00:48:21",""
"1567650","9.3657","0.0005","16.7589","0.0009","14.5402","0.0009","90","","105.649","0.003","90","","2197.6","0.2","100","2","99.98","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","[Cr(tttCp)(Indenyl)]","(1,2,4-tri(tertbutyl)cyclopentadienyl)(indenyl)chromium(II)","","- C26 H36 Cr -","- C26 H36 Cr -","- C104 H144 Cr4 -","4","1","","Trummer, David; Nobile, Anna Giorgia; Payard, Pierre-Adrien; Ashuiev, Anton; Kakiuchi, Yuya; Klose, Daniel; Jeschke, Gunnar; Copéret, Christophe","Union carbide polymerization catalysts: from uncovering active site structures to designing molecularly-defined analogs","Chemical Science","2022","13","37","11091","11098","10.1039/D2SC04235E","","x-ray","0.71073","MoKα","","0.03","0.0268","","","0.0683","0.0701","","","","","","1.033","","","","has coordinates","278407","2022-10-07","00:48:22",""
"1567652","22.0567","0.0003","7.5133","0.0001","32.5379","0.0006","90","","109.612","0.002","90","","5079.32","0.15","293","2","293","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C29.5 H31 Cl N2 -","- C29.5 H31 Cl N2 -","- C236 H248 Cl8 N16 -","8","1","","Cui, Xian-Chao; Zhang, Hu; Wang, Yi-Ping; Qu, Jian-Ping; Kang, Yan-Biao","Synthesis of carbinoxamine via α-C(sp3)–H 2-pyridylation of O, S or N-containing compounds enabled by non-D–A-type super organoreductants and sulfoxide- or sulfide HAT reagents","Chemical Science","2022","13","37","11246","11251","10.1039/D2SC03504A","","x-ray","1.54184","CuKα","","0.0732","0.0655","","","0.1823","0.1908","","","","","","1.065","","","","has coordinates","278406","2022-10-07","00:48:11",""
"1567653","7.8864","0.0003","9.9577","0.0004","15.3148","0.0004","75.304","0.003","85.678","0.003","67.535","0.004","1074.74","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H26 N2 O -","- C27 H26 N2 O -","- C54 H52 N4 O2 -","2","1","","Cui, Xian-Chao; Zhang, Hu; Wang, Yi-Ping; Qu, Jian-Ping; Kang, Yan-Biao","Synthesis of carbinoxamine via α-C(sp3)–H 2-pyridylation of O, S or N-containing compounds enabled by non-D–A-type super organoreductants and sulfoxide- or sulfide HAT reagents","Chemical Science","2022","13","37","11246","11251","10.1039/D2SC03504A","","x-ray","1.54184","CuKα","","0.0432","0.0407","","","0.1111","0.1142","","","","","","1.04","","","","has coordinates","278406","2022-10-07","00:48:11",""
"1567654","10.7317","0.0003","5.511","0.0002","27.4878","0.0009","90","","99.361","0.001","90","","1604.05","0.09","213","2","213","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H16 Cl N -","- C21 H16 Cl N -","- C84 H64 Cl4 N4 -","4","1","","Li, Quanzhe; Gu, Xintao; Wei, Yin; Shi, Min","Visible-light-induced indole synthesis <i>via</i> intramolecular C-N bond formation: desulfonylative C(sp<sup>2</sup>)-H functionalization.","Chemical science","2022","13","39","11623","11632","10.1039/d2sc02822k","","","0.71073","MoKα","","0.073","0.063","","","0.1706","0.1848","","","","","","1.031","","","","has coordinates","278980","2022-11-07","05:20:10",""
"1567655","20.6359","0.0004","5.1809","0.0001","27.7349","0.0006","90","","104.528","0.002","90","","2870.4","0.1","150","","150","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C24 H28 Br4 N4 O4 -","- C24 H28 Br4 N4 O4 -","- C96 H112 Br16 N16 O16 -","4","0.5","","Kerckhoffs, Aidan; Christensen, Kirsten E.; Langton, Matthew J.","Fast relaxing red and near-IR switchable azobenzenes with chalcogen and halogen substituents: periodic trends, tuneable thermal half-lives and chalcogen bonding.","Chemical science","2022","13","39","11551","11559","10.1039/d2sc04601f","","","1.54184","CuKα","","0.1044","0.1031","","0.0666","0.0656","0.0666","","","","","","1.1565","","","","has coordinates","278982","2022-11-07","05:20:34",""
"1567656","14.0017","0.0003","8.2362","0.0001","19.1456","0.0004","90","","104.636","0.002","90","","2136.24","0.07","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 I4 N2 O4 -","- C18 H14 I4 N2 O4 -","- C72 H56 I16 N8 O16 -","4","1","","Kerckhoffs, Aidan; Christensen, Kirsten E.; Langton, Matthew J.","Fast relaxing red and near-IR switchable azobenzenes with chalcogen and halogen substituents: periodic trends, tuneable thermal half-lives and chalcogen bonding.","Chemical science","2022","13","39","11551","11559","10.1039/d2sc04601f","","","1.54184","CuKα","","0.0716","0.0694","","0.1791","0.1752","0.1791","","","","","","1.0359","","","","has coordinates","278982","2022-11-07","05:20:34",""
"1567657","11.9316","0.0003","12.2715","0.0005","15.2444","0.0007","73.159","0.004","73.857","0.003","79.026","0.003","2037.41","0.14","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C14 H8 I4 N8 -","- C14 H8 I4 N8 -","- C56 H32 I16 N32 -","4","2","","Kerckhoffs, Aidan; Christensen, Kirsten E.; Langton, Matthew J.","Fast relaxing red and near-IR switchable azobenzenes with chalcogen and halogen substituents: periodic trends, tuneable thermal half-lives and chalcogen bonding.","Chemical science","2022","13","39","11551","11559","10.1039/d2sc04601f","","","1.54184","CuKα","","0.1306","0.1252","","0.1122","0.1083","0.1122","","","","","","1.1626","","","","has coordinates","278982","2022-11-07","05:20:34",""
"1567658","7.2152","0.0002","8.0923","0.0003","12.5451","0.0004","87.957","0.003","82.964","0.003","66.841","0.003","668.32","0.04","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H34 N2 O4 S4 -","- C26 H34 N2 O4 S4 -","- C26 H34 N2 O4 S4 -","1","0.5","","Kerckhoffs, Aidan; Christensen, Kirsten E.; Langton, Matthew J.","Fast relaxing red and near-IR switchable azobenzenes with chalcogen and halogen substituents: periodic trends, tuneable thermal half-lives and chalcogen bonding.","Chemical science","2022","13","39","11551","11559","10.1039/d2sc04601f","","","1.54184","CuKα","","0.0252","0.0245","","0.0703","0.0696","0.0703","","","","","","0.9995","","","","has coordinates","278982","2022-11-07","05:20:34",""
"1567659","10.1072","0.0007","11.4012","0.0008","11.5402","0.0009","94.868","0.006","95.841","0.006","112.726","0.007","1208.99","0.17","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H30 F2 N4 O4 -","- C24 H30 F2 N4 O4 -","- C48 H60 F4 N8 O8 -","2","1","","Kerckhoffs, Aidan; Christensen, Kirsten E.; Langton, Matthew J.","Fast relaxing red and near-IR switchable azobenzenes with chalcogen and halogen substituents: periodic trends, tuneable thermal half-lives and chalcogen bonding.","Chemical science","2022","13","39","11551","11559","10.1039/d2sc04601f","","","1.54184","CuKα","","0.076","0.0509","","0.1584","0.1349","0.1584","","","","","","0.9792","","","","has coordinates","278982","2022-11-07","05:20:34",""
"1567660","15.5783","0.0002","7.9499","0.0001","29.5587","0.0003","90","","90.3204","0.001","90","","3660.67","0.08","150","","150","","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C16 H18 N2 Se4 -","- C16 H18 N2 Se4 -","- C128 H144 N16 Se32 -","8","2","","Kerckhoffs, Aidan; Christensen, Kirsten E.; Langton, Matthew J.","Fast relaxing red and near-IR switchable azobenzenes with chalcogen and halogen substituents: periodic trends, tuneable thermal half-lives and chalcogen bonding.","Chemical science","2022","13","39","11551","11559","10.1039/d2sc04601f","","","1.54184","CuKα","","0.0266","0.025","","0.0625","0.0614","0.0625","","","","","","1.0394","","","","has coordinates","278982","2022-11-07","05:20:34",""
"1567661","16.0349","0.0003","15.8463","0.0004","19.0464","0.0004","90","","90","","90","","4839.57","0.18","150","","150","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C22 H26 N2 O4 Se4 -","- C22 H26 N2 O4 Se4 -","- C176 H208 N16 O32 Se32 -","8","1","","Kerckhoffs, Aidan; Christensen, Kirsten E.; Langton, Matthew J.","Fast relaxing red and near-IR switchable azobenzenes with chalcogen and halogen substituents: periodic trends, tuneable thermal half-lives and chalcogen bonding.","Chemical science","2022","13","39","11551","11559","10.1039/d2sc04601f","","","1.54184","CuKα","","0.0502","0.0399","","0.119","0.1076","0.119","","","","","","1.0194","","","","has coordinates","278982","2022-11-07","05:20:34",""
"1567662","15.105","0.0002","7.8801","0.0001","28.9196","0.0003","90","","90.6804","0.0012","90","","3442.03","0.07","150","","150","","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C16 H18 N2 S4 -","- C16 H18 N2 S4 -","- C128 H144 N16 S32 -","8","2","","Kerckhoffs, Aidan; Christensen, Kirsten E.; Langton, Matthew J.","Fast relaxing red and near-IR switchable azobenzenes with chalcogen and halogen substituents: periodic trends, tuneable thermal half-lives and chalcogen bonding.","Chemical science","2022","13","39","11551","11559","10.1039/d2sc04601f","","","1.54184","CuKα","","0.0486","0.0418","","0.1183","0.1073","0.1183","","","","","","1.0088","","","","has coordinates","278982","2022-11-07","05:20:34",""
"1567663","6.4567","0.0007","8.6728","0.0009","13.3795","0.0013","90","","92.32","0.009","90","","748.61","0.13","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 F2 N2 Te2 -","- C14 H12 F2 N2 Te2 -","- C28 H24 F4 N4 Te4 -","2","0.5","","Kerckhoffs, Aidan; Christensen, Kirsten E.; Langton, Matthew J.","Fast relaxing red and near-IR switchable azobenzenes with chalcogen and halogen substituents: periodic trends, tuneable thermal half-lives and chalcogen bonding.","Chemical science","2022","13","39","11551","11559","10.1039/d2sc04601f","","","0.71073","MoKα","","0.0646","0.0337","","0.0707","0.058","0.0707","","","","","","1.0063","","","","has coordinates","278982","2022-11-07","05:20:34",""
"1567664","10.7335","0.0001","10.5743","0.0001","18.0208","0.0001","90","","95.2723","0.0007","90","","2036.69","0.03","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H18 N2 Te4 -","- C16 H18 N2 Te4 -","- C64 H72 N8 Te16 -","4","2","","Kerckhoffs, Aidan; Christensen, Kirsten E.; Langton, Matthew J.","Fast relaxing red and near-IR switchable azobenzenes with chalcogen and halogen substituents: periodic trends, tuneable thermal half-lives and chalcogen bonding.","Chemical science","2022","13","39","11551","11559","10.1039/d2sc04601f","","","1.54184","CuKα","","0.0263","0.0249","","0.0606","0.06","0.0606","","","","","","0.9937","","","","has coordinates","278982","2022-11-07","05:20:34",""
"1567665","4.7183","0.0013","12.508","0.003","13.014","0.004","78.569","0.008","86.876","0.008","82.105","0.008","745.4","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H44 Br0 N4 O4 -","- C34 H44 N4 O4 -","- C34 H44 N4 O4 -","1","0.5","","Bansal, Deepak; Kundu, Arup; Singh, Vijay Pal; Pal, Arun K.; Datta, Ayan; Dasgupta, Jyotishman; Mukhopadhyay, Pritam","A highly contorted push-pull naphthalenediimide dimer and evidence of intramolecular singlet exciton fission.","Chemical science","2022","13","39","11506","11512","10.1039/d2sc04187a","","","0.71073","MoKα","","0.1903","0.0879","","","0.2131","0.2603","","","","","","0.892","","","","has coordinates","278979","2022-11-07","05:20:02",""
"1567666","14.7104","0.0007","14.7104","0.0007","23.995","0.002","90","","90","","90","","5192.4","0.6","293","2","293","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C56 H64 N8 O8 -","- C56 H64 N8 O8 -","- C224 H256 N32 O32 -","4","0.5","","Bansal, Deepak; Kundu, Arup; Singh, Vijay Pal; Pal, Arun K.; Datta, Ayan; Dasgupta, Jyotishman; Mukhopadhyay, Pritam","A highly contorted push-pull naphthalenediimide dimer and evidence of intramolecular singlet exciton fission.","Chemical science","2022","13","39","11506","11512","10.1039/d2sc04187a","","","0.71073","MoKα","","0.1962","0.0778","","","0.1959","0.2363","","","","","","0.88","","","","has coordinates","278979","2022-11-07","05:20:02",""
"1567667","10.2821","0.0007","10.1551","0.0009","6.3699","0.0005","90","","90","","90","","665.12","0.09","293","2","293","2","","","","","","","","4","A m a 2","A 2 -2a","40","","","","- Cd S4 Si Sr -","- Cd S4 Si Sr -","- Cd4 S16 Si4 Sr4 -","4","0.5","","Yang, He-Di; Ran, Mao-Yin; Zhou, Sheng-Hua; Wu, Xin-Tao; Lin, Hua; Zhu, Qi-Long","Rational design via dual-site aliovalent substitution leads to an outstanding IR nonlinear optical material with well-balanced comprehensive properties","Chemical Science","2022","13","36","10725","10733","10.1039/D2SC03760B","","","0.71073","MoKα","","0.0217","0.0212","","","0.0533","0.0594","","","","","","1.204","","","","has coordinates","278050","2022-09-21","22:06:19",""
"1567668","12.2216","0.0005","20.5008","0.0009","20.8426","0.001","90","","90","","90","","5222.2","0.4","293","2","293","2","","","","","","","","3","F d d d :2","-F 2uv 2vw","70","","","","- Ga2 S4 Sr -","- Ga2 S4 Sr -","- Ga64 S128 Sr32 -","32","1","","Yang, He-Di; Ran, Mao-Yin; Zhou, Sheng-Hua; Wu, Xin-Tao; Lin, Hua; Zhu, Qi-Long","Rational design via dual-site aliovalent substitution leads to an outstanding IR nonlinear optical material with well-balanced comprehensive properties","Chemical Science","2022","13","36","10725","10733","10.1039/D2SC03760B","","","0.71073","MoKα","","0.0338","0.0228","","","0.0591","0.0627","","","","","","1.174","","","","has coordinates","278050","2022-09-21","22:06:19",""
"1567676","15.0811","0.0006","11.4764","0.0004","18.5521","0.0007","90","","90.197","0.001","90","","3210.9","0.2","302","2","302","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","DPMGePh","","- C39 H36 Ge N2 -","- C39 H36 Ge N2 -","- C156 H144 Ge4 N8 -","4","1","","Mahawar, Pritam; Shukla, Pratima; Chandra Joshi, Prakash; Singh, Dharmendra; Kumar, Hemant; Mukherjee, Goutam; Nagendran, Selvarajan","Air and water stable germacarbonyl compounds","Chemical Science","2022","13","42","12382","12388","10.1039/D2SC01869A","","","0.71073","MoKα","","0.0523","0.0383","","","0.1272","0.1336","","","","","","0.938","","","","has coordinates","278976","2022-11-07","05:19:24",""
"1567677","7.9949","0.0005","21.1802","0.0014","19.6152","0.0013","90","","99.409","0.003","90","","3276.8","0.4","273","2","273.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","DPMGe(S)Ph","","- C39 H36 Ge N2 S -","- C39 H36 Ge N2 S -","- C156 H144 Ge4 N8 S4 -","4","1","","Mahawar, Pritam; Shukla, Pratima; Chandra Joshi, Prakash; Singh, Dharmendra; Kumar, Hemant; Mukherjee, Goutam; Nagendran, Selvarajan","Air and water stable germacarbonyl compounds","Chemical Science","2022","13","42","12382","12388","10.1039/D2SC01869A","","","0.71073","MoKα","","0.0953","0.0887","","","0.2482","0.2521","","","","","","1.141","","","","has coordinates","278976","2022-11-07","05:19:25",""
"1567678","13.302","0.002","9.7758","0.0016","28.456","0.004","90","","93.909","0.005","90","","3691.7","1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","DPMGeN(TMS)2","","- C39 H49 Ge N3 Si2 -","- C39 H49 Ge N3 Si2 -","- C156 H196 Ge4 N12 Si8 -","4","1","","Mahawar, Pritam; Shukla, Pratima; Chandra Joshi, Prakash; Singh, Dharmendra; Kumar, Hemant; Mukherjee, Goutam; Nagendran, Selvarajan","Air and water stable germacarbonyl compounds","Chemical Science","2022","13","42","12382","12388","10.1039/D2SC01869A","","","0.71073","MoKα","","0.065","0.0507","","","0.1478","0.1643","","","","","","1.123","","","","has coordinates","278976","2022-11-07","05:19:25",""
"1567679","13.7954","0.0007","12.2314","0.0006","23.9124","0.0012","90","","90.032","0.002","90","","4034.9","0.3","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","(DPMGe(Se)N(TMS)2CuI)2","","- C78 H98 Cu2 Ge2 I2 N6 Se2 Si4 -","- C78 H98 Cu2 Ge2 I2 N6 Se2 Si4 -","- C156 H196 Cu4 Ge4 I4 N12 Se4 Si8 -","2","0.5","","Mahawar, Pritam; Shukla, Pratima; Chandra Joshi, Prakash; Singh, Dharmendra; Kumar, Hemant; Mukherjee, Goutam; Nagendran, Selvarajan","Air and water stable germacarbonyl compounds","Chemical Science","2022","13","42","12382","12388","10.1039/D2SC01869A","","","0.71073","MoKα","","0.0369","0.0316","","","0.1179","0.1244","","","","","","1.039","","","","has coordinates","278976","2022-11-07","05:19:25",""
"1567680","8.0415","0.0003","21.217","0.0008","19.7259","0.0007","90","","99.617","0.001","90","","3318.3","0.2","302","2","302","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","DPMGe(Se)Ph","","- C39 H36 Ge N2 Se -","- C39 H36 Ge N2 Se -","- C156 H144 Ge4 N8 Se4 -","4","1","","Mahawar, Pritam; Shukla, Pratima; Chandra Joshi, Prakash; Singh, Dharmendra; Kumar, Hemant; Mukherjee, Goutam; Nagendran, Selvarajan","Air and water stable germacarbonyl compounds","Chemical Science","2022","13","42","12382","12388","10.1039/D2SC01869A","","","0.71073","MoKα","","0.0406","0.0311","","","0.0689","0.0708","","","","","","1.045","","","","has coordinates","278976","2022-11-07","05:19:25",""
"1567681","8.9661","0.0006","11.2946","0.0008","19.9064","0.0013","86.969","0.004","77.252","0.004","73.433","0.004","1884.5","0.2","100","2","100","","","","","","","","","6","P -1","-P 1","2","","DPMGe(Se)N(TMS)2","","- C39 H49 Ge N3 Se Si2 -","- C39 H49 Ge N3 Se Si2 -","- C78 H98 Ge2 N6 Se2 Si4 -","2","1","","Mahawar, Pritam; Shukla, Pratima; Chandra Joshi, Prakash; Singh, Dharmendra; Kumar, Hemant; Mukherjee, Goutam; Nagendran, Selvarajan","Air and water stable germacarbonyl compounds","Chemical Science","2022","13","42","12382","12388","10.1039/D2SC01869A","","","0.71073","MoKα","","0.1096","0.0903","","","0.2538","0.2706","","","","","","1.069","","","","has coordinates","278976","2022-11-07","05:19:25",""
"1567682","8.7695","0.0014","11.3819","0.0019","21.887","0.004","76.889","0.008","86.438","0.008","72.957","0.008","2034.2","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","DPMGe(S)N(TMS)2","","- C42 H55 Ge N3 S Si2 -","- C42 H55 Ge N3 S Si2 -","- C84 H110 Ge2 N6 S2 Si4 -","2","1","","Mahawar, Pritam; Shukla, Pratima; Chandra Joshi, Prakash; Singh, Dharmendra; Kumar, Hemant; Mukherjee, Goutam; Nagendran, Selvarajan","Air and water stable germacarbonyl compounds","Chemical Science","2022","13","42","12382","12388","10.1039/D2SC01869A","","","0.71073","MoKα","","0.1019","0.0751","","","0.1963","0.2224","","","","","","1.045","","","","has coordinates","278976","2022-11-07","05:19:25",""
"1567683","10.915","0.0003","12.0113","0.0003","17.7694","0.0004","83.36","0.001","76.387","0.001","69.278","0.001","2116.37","0.09","100","2","100","","","","","","","","","8","P -1","-P 1","2","","DPMGe(S)N(TMS)2CuCl","","- C39 H49 Cl Cu Ge N3 S Si2 -","- C39 H49 Cl Cu Ge N3 S Si2 -","- C78 H98 Cl2 Cu2 Ge2 N6 S2 Si4 -","2","1","","Mahawar, Pritam; Shukla, Pratima; Chandra Joshi, Prakash; Singh, Dharmendra; Kumar, Hemant; Mukherjee, Goutam; Nagendran, Selvarajan","Air and water stable germacarbonyl compounds","Chemical Science","2022","13","42","12382","12388","10.1039/D2SC01869A","","","0.71073","MoKα","","0.0345","0.027","","","0.0643","0.0684","","","","","","1.0408","","","","has coordinates","278976","2022-11-07","05:19:25",""
"1567684","14.9611","0.0005","14.0451","0.0005","15.5244","0.0006","90","","107.287","0.001","90","","3114.79","0.19","273","2","273.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","DPMGe(S)OEt","","- C35 H36 Ge N2 O S -","- C35 H36 Ge N2 O S -","- C140 H144 Ge4 N8 O4 S4 -","4","1","","Mahawar, Pritam; Shukla, Pratima; Chandra Joshi, Prakash; Singh, Dharmendra; Kumar, Hemant; Mukherjee, Goutam; Nagendran, Selvarajan","Air and water stable germacarbonyl compounds","Chemical Science","2022","13","42","12382","12388","10.1039/D2SC01869A","","","0.71073","MoKα","","0.0454","0.0317","","","0.0889","0.0942","","","","","","1.0217","","","","has coordinates","278976","2022-11-07","05:19:25",""
"1567685","12.3707","0.0004","12.4183","0.0004","16.7015","0.0005","89.009","0.001","74.715","0.001","61.241","0.001","2151.41","0.12","100","2","100","","","","","","","","","8","P -1","-P 1","2","","(DPMGe(S)N(TMS)2CuBr)2","","- C84 H112 Br2 Cu2 Ge2 N6 S2 Si4 -","- C84 H112 Br2 Cu2 Ge2 N6 S2 Si4 -","- C84 H112 Br2 Cu2 Ge2 N6 S2 Si4 -","1","0.5","","Mahawar, Pritam; Shukla, Pratima; Chandra Joshi, Prakash; Singh, Dharmendra; Kumar, Hemant; Mukherjee, Goutam; Nagendran, Selvarajan","Air and water stable germacarbonyl compounds","Chemical Science","2022","13","42","12382","12388","10.1039/D2SC01869A","","","0.71073","MoKα","","0.0444","0.0342","","","0.0821","0.0888","","","","","","1.0443","","","","has coordinates","278976","2022-11-07","05:19:25",""
"1567686","13.947","0.002","12.306","0.002","23.936","0.004","90","","90.327","0.006","90","","4108.1","1.1","278","2","278","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","(DPMGe(S)N(TMS)2CuI)2","","- C78 H98 Cu2 Ge2 I2 N6 S2 Si4 -","- C78 H98 Cu2 Ge2 I2 N6 S2 Si4 -","- C156 H196 Cu4 Ge4 I4 N12 S4 Si8 -","2","0.5","","Mahawar, Pritam; Shukla, Pratima; Chandra Joshi, Prakash; Singh, Dharmendra; Kumar, Hemant; Mukherjee, Goutam; Nagendran, Selvarajan","Air and water stable germacarbonyl compounds","Chemical Science","2022","13","42","12382","12388","10.1039/D2SC01869A","","","0.71073","MoKα","","0.0564","0.0363","","","0.0831","0.0934","","","","","","1.0776","","","","has coordinates","278976","2022-11-07","05:19:25",""
"1567695","9.5099","0.0004","9.8152","0.0004","13.7004","0.0005","90","","105.846","0.001","90","","1230.22","0.09","170","","170","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C32 H30 O2 -","- C32 H30 O2 -","- C64 H60 O4 -","2","1","","Arkhypchuk, Anna I.; D'Imperio, Nicolas; Wells, Jordann A. L.; Ott, Sascha","[2 + 2] Cycloaddition of phosphaalkenes as a key step for the reductive coupling of diaryl ketones to tetraaryl olefins","Chemical Science","2022","13","41","12239","12244","10.1039/D2SC03073J","","","0.71073","MoKα","","0.0586","0.0438","","","0.0939","0.1015","","","","","","1.066","","","","has coordinates","278968","2022-11-07","05:14:07",""
"1567696","9.2899","0.0002","10.6993","0.0002","13.1402","0.0003","90","","107.074","0.001","90","","1248.51","0.05","170","2","170","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C34 H26 O2 -","- C34 H26 O2 -","- C68 H52 O4 -","2","1","","Arkhypchuk, Anna I.; D'Imperio, Nicolas; Wells, Jordann A. L.; Ott, Sascha","[2 + 2] Cycloaddition of phosphaalkenes as a key step for the reductive coupling of diaryl ketones to tetraaryl olefins","Chemical Science","2022","13","41","12239","12244","10.1039/D2SC03073J","","","0.71073","MoKα","","0.0787","0.05","","","0.1117","0.1254","","","","","","1.048","","","","has coordinates","278968","2022-11-07","05:14:07",""
"1567697","10.356","0.003","31.286","0.008","9.517","0.002","90","","108.01","0.004","90","","2932.4","1.3","170","","170","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H36 F2 O2 -","- C36 H36 F2 O2 -","- C144 H144 F8 O8 -","4","1","","Arkhypchuk, Anna I.; D'Imperio, Nicolas; Wells, Jordann A. L.; Ott, Sascha","[2 + 2] Cycloaddition of phosphaalkenes as a key step for the reductive coupling of diaryl ketones to tetraaryl olefins","Chemical Science","2022","13","41","12239","12244","10.1039/D2SC03073J","","","0.71073","MoKα","","0.1124","0.0667","","","0.1611","0.1882","","","","","","1.055","","","","has coordinates,has disorder","278968","2022-11-07","05:14:07",""
"1567698","13.893","0.003","9.559","0.002","23.43","0.006","90","","98.908","0.013","90","","3074","1.2","170","","170","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H29 Cl3 F2 O2 -","- C33 H29 Cl3 F2 O2 -","- C132 H116 Cl12 F8 O8 -","4","1","","Arkhypchuk, Anna I.; D'Imperio, Nicolas; Wells, Jordann A. L.; Ott, Sascha","[2 + 2] Cycloaddition of phosphaalkenes as a key step for the reductive coupling of diaryl ketones to tetraaryl olefins","Chemical Science","2022","13","41","12239","12244","10.1039/D2SC03073J","","","0.71073","MoKα","","0.1166","0.0857","","","0.2567","0.2958","","","","","","1.025","","","","has coordinates","278968","2022-11-07","05:14:07",""
"1567699","26.6644","0.0013","42.3661","0.0013","9.7021","0.0003","90","","104.927","0.002","90","","10590.3","0.7","170","","170","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C48 H57 P3 Si3 -","- C48 H57 P3 Si3 -","- C384 H456 P24 Si24 -","8","1","","Arkhypchuk, Anna I.; D'Imperio, Nicolas; Wells, Jordann A. L.; Ott, Sascha","[2 + 2] Cycloaddition of phosphaalkenes as a key step for the reductive coupling of diaryl ketones to tetraaryl olefins","Chemical Science","2022","13","41","12239","12244","10.1039/D2SC03073J","","","0.71073","MoKα","","0.1029","0.0642","","","0.1414","0.1576","","","","","","1.039","","","","has coordinates","278968","2022-11-07","05:14:07",""
"1567702","7.9494","0.0001","10.2838","0.0001","24.4594","0.0003","90","","90","","90","","1999.56","0.04","150","0.1","150","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H23 N O3 -","- C24 H23 N O3 -","- C96 H92 N4 O12 -","4","1","","Li, Wendeng; Zhang, He; Chen, Kai; Jiang, Huanfeng; Sun, Jianwei; Zhu, Shifa","Palladium-catalyzed intramolecular enantioselective C(sp3)–H insertion of donor/donor carbenes","Chemical Science","2022","13","42","12396","12402","10.1039/D2SC03524C","","x-ray","1.54184","CuKα","","0.0369","0.0349","","","0.0923","0.0935","","","","","","0.986","","","","has coordinates","278977","2022-11-07","05:19:38",""
"1567703","10.2503","0.0002","10.2503","0.0002","18.6428","0.0004","90","","90","","120","","1696.35","0.06","150","0.1","150","0.1","","","","","","","","5","P 31","P 31","144","","","","- C28 H25 N O2 S -","- C28 H25 N O2 S -","- C84 H75 N3 O6 S3 -","3","1","","Li, Wendeng; Zhang, He; Chen, Kai; Jiang, Huanfeng; Sun, Jianwei; Zhu, Shifa","Palladium-catalyzed intramolecular enantioselective C(sp3)–H insertion of donor/donor carbenes","Chemical Science","2022","13","42","12396","12402","10.1039/D2SC03524C","","x-ray","1.54184","CuKα","","0.0303","0.0299","","","0.0819","0.0828","","","","","","1.046","","","","has coordinates","278977","2022-11-07","05:19:38",""
"1567704","9.4589","0.0006","9.3504","0.0005","12.948","0.0008","90","","110.298","0.007","90","","1074.06","0.12","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H23 N O2 S -","- C27 H23 N O2 S -","- C54 H46 N2 O4 S2 -","2","1","","Li, Wendeng; Zhang, He; Chen, Kai; Jiang, Huanfeng; Sun, Jianwei; Zhu, Shifa","Palladium-catalyzed intramolecular enantioselective C(sp3)–H insertion of donor/donor carbenes","Chemical Science","2022","13","42","12396","12402","10.1039/D2SC03524C","","x-ray","0.71073","MoKα","","0.0358","0.0344","","","0.0785","0.0798","","","","","","1.123","","","","has coordinates","278977","2022-11-07","05:19:38",""
"1567721","18.8119","0.0002","27.697","0.0002","31.3398","0.0003","90","","90","","90","","16329.1","0.3","100.01","0.1","100.01","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C148 H108 Au8 O10 P6 S2 -","- C148 H108 Au8 O10 P6 S2 -","- C592 H432 Au32 O40 P24 S8 -","4","1","","Si, Wei-Dan; Sheng, Kai; Zhang, Chengkai; Wang, Zhi; Zhang, Shan-Shan; Dou, Jian-Min; Feng, Lei; Gao, Zhi-Yong; Tung, Chen-Ho; Sun, Di","Bicarbonate insertion triggered self-assembly of chiral octa-gold nanoclusters into helical superstructures in the crystalline state","Chemical Science","2022","13","35","10523","10531","10.1039/D2SC03463H","","x-ray","1.54184","CuKα","","0.0918","0.0815","","","0.2257","0.2437","","","","","","1.076","","","","has coordinates","278357","2022-10-05","06:09:11",""
"1567722","20.5564","0.0014","25.7288","0.0016","26.0976","0.0017","90","","90","","90","","13802.8","1.6","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C146 H104 Au8 O4 P6 S2 -","- C146 H104 Au8 O4 P6 S2 -","- C584 H416 Au32 O16 P24 S8 -","4","1","","Si, Wei-Dan; Sheng, Kai; Zhang, Chengkai; Wang, Zhi; Zhang, Shan-Shan; Dou, Jian-Min; Feng, Lei; Gao, Zhi-Yong; Tung, Chen-Ho; Sun, Di","Bicarbonate insertion triggered self-assembly of chiral octa-gold nanoclusters into helical superstructures in the crystalline state","Chemical Science","2022","13","35","10523","10531","10.1039/D2SC03463H","","x-ray","1.54178","CuKα","","0.0479","0.0457","","","0.1107","0.1122","","","","","","1.021","","","","has coordinates","278357","2022-10-05","06:09:12",""
"1567723","18.4744","0.0002","27.7085","0.0003","31.2344","0.0003","90","","90","","90","","15988.8","0.3","99.99","0.1","99.99","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C148 H108 Au8 O10 P6 S2 -","- C148 H108 Au8 O10 P6 S2 -","- C592 H432 Au32 O40 P24 S8 -","4","1","","Si, Wei-Dan; Sheng, Kai; Zhang, Chengkai; Wang, Zhi; Zhang, Shan-Shan; Dou, Jian-Min; Feng, Lei; Gao, Zhi-Yong; Tung, Chen-Ho; Sun, Di","Bicarbonate insertion triggered self-assembly of chiral octa-gold nanoclusters into helical superstructures in the crystalline state","Chemical Science","2022","13","35","10523","10531","10.1039/D2SC03463H","","x-ray","1.54184","CuKα","","0.0882","0.0672","","","0.1685","0.1881","","","","","","1.054","","","","has coordinates","278357","2022-10-05","06:09:12",""
"1567724","20.333","0.005","25.812","0.005","26.048","0.005","90","","90","","90","","13671","5","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C146 H104 Au8 O4 P6 S2 -","- C146 H104 Au8 O4 P6 S2 -","- C584 H416 Au32 O16 P24 S8 -","4","1","","Si, Wei-Dan; Sheng, Kai; Zhang, Chengkai; Wang, Zhi; Zhang, Shan-Shan; Dou, Jian-Min; Feng, Lei; Gao, Zhi-Yong; Tung, Chen-Ho; Sun, Di","Bicarbonate insertion triggered self-assembly of chiral octa-gold nanoclusters into helical superstructures in the crystalline state","Chemical Science","2022","13","35","10523","10531","10.1039/D2SC03463H","","x-ray","1.54178","CuKα","","0.0403","0.0366","","","0.0888","0.0903","","","","","","1.049","","","","has coordinates","278357","2022-10-05","06:09:12",""
"1567725","11.1117","0.0002","20.386","0.0003","9.6205","0.0001","90","","107.152","0.002","90","","2082.34","0.06","100","0.1","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 F N2 O -","- C26 H26 F N2 O -","- C104 H104 F4 N8 O4 -","4","1","","Rai, Pramod; Maji, Kakoli; Jana, Sayan K.; Maji, Biplab","Intermolecular dearomative [4 + 2] cycloaddition of naphthalenes via visible-light energy-transfer-catalysis","Chemical Science","2022","13","42","12503","12510","10.1039/D2SC04005K","","","1.54184","CuKα","","0.0516","0.0477","","","0.1235","0.1278","","","","","","1.056","","","","has coordinates","278975","2022-11-07","05:16:24",""
"1567726","38.8063","0.0006","15.6732","0.0003","9.8717","0.0002","90","","90","","90","","6004.15","0.19","100","","100","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C20 H17 F O -","- C20 H17 F O -","- C320 H272 F16 O16 -","16","1","","Rai, Pramod; Maji, Kakoli; Jana, Sayan K.; Maji, Biplab","Intermolecular dearomative [4 + 2] cycloaddition of naphthalenes via visible-light energy-transfer-catalysis","Chemical Science","2022","13","42","12503","12510","10.1039/D2SC04005K","","","1.54184","CuKα","","0.0394","0.0384","","","0.0993","0.1014","","","","","","1.051","","","","has coordinates","278975","2022-11-07","05:16:25",""
"1567727","12.6548","0.0004","7.2987","0.0002","20.6049","0.0006","90","","98.643","0.001","90","","1881.53","0.1","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H19 F N2 O -","- C23 H19 F N2 O -","- C92 H76 F4 N8 O4 -","4","1","","Rai, Pramod; Maji, Kakoli; Jana, Sayan K.; Maji, Biplab","Intermolecular dearomative [4 + 2] cycloaddition of naphthalenes via visible-light energy-transfer-catalysis","Chemical Science","2022","13","42","12503","12510","10.1039/D2SC04005K","","","0.71073","MoKα","","0.064","0.04","","","0.1107","0.1179","","","","","","1.108","","","","has coordinates","278975","2022-11-07","05:16:25",""
"1567728","9.4028","0.0002","19.5701","0.0002","9.3681","0.0002","90","","115.798","0.002","90","","1552.05","0.06","100","0.1","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 Cl O -","- C20 H17 Cl O -","- C80 H68 Cl4 O4 -","4","1","","Rai, Pramod; Maji, Kakoli; Jana, Sayan K.; Maji, Biplab","Intermolecular dearomative [4 + 2] cycloaddition of naphthalenes via visible-light energy-transfer-catalysis","Chemical Science","2022","13","42","12503","12510","10.1039/D2SC04005K","","","1.54184","CuKα","","0.0436","0.0429","","","0.1047","0.1053","","","","","","1.087","","","","has coordinates","278975","2022-11-07","05:16:25",""
"1567729","13.8641","0.0002","10.5226","0.0001","12.1171","0.0001","90","","103.029","0.001","90","","1722.21","0.03","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 F O3 -","- C22 H19 F O3 -","- C88 H76 F4 O12 -","4","1","","Rai, Pramod; Maji, Kakoli; Jana, Sayan K.; Maji, Biplab","Intermolecular dearomative [4 + 2] cycloaddition of naphthalenes via visible-light energy-transfer-catalysis","Chemical Science","2022","13","42","12503","12510","10.1039/D2SC04005K","","x-ray","1.54184","CuKα","","0.0433","0.0402","","","0.1059","0.1086","","","","","","1.065","","","","has coordinates","278975","2022-11-07","05:16:25",""
"1567732","9.4288","0.0003","10.4362","0.0003","26.2815","0.0007","90","","96.065","0.003","90","","2571.65","0.13","296.87","0.12","296.87","0.12","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H28 N2 O4 S2 -","- C27 H28 N2 O4 S2 -","- C108 H112 N8 O16 S8 -","4","1","","Chen, Zhi; Li, Yu-Fan; Tan, Shun-Zhong; Ouyang, Qin; Chen, Zhi-Chao; Du, Wei; Chen, Ying-Chun","Formal nucleophilic pyrrolylmethylation via palladium-based auto-tandem catalysis: switchable regiodivergent synthesis and remote chirality transfer","Chemical Science","2022","13","42","12433","12439","10.1039/D2SC05210E","","x-ray","1.54184","CuKα","","0.0749","0.0639","","","0.1703","0.1898","","","","","","1.021","","","","has coordinates","278972","2022-11-07","05:15:04",""
"1567733","29.5374","0.0019","9.77","0.0005","24.882","0.003","90","","122.932","0.002","90","","6026.7","0.9","302","","302","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C31 H30 N2 O4 S3 -","- C31 H30 N2 O4 S3 -","- C248 H240 N16 O32 S24 -","8","1","","Chen, Zhi; Li, Yu-Fan; Tan, Shun-Zhong; Ouyang, Qin; Chen, Zhi-Chao; Du, Wei; Chen, Ying-Chun","Formal nucleophilic pyrrolylmethylation via palladium-based auto-tandem catalysis: switchable regiodivergent synthesis and remote chirality transfer","Chemical Science","2022","13","42","12433","12439","10.1039/D2SC05210E","","","0.71073","MoKα","","0.092","0.0497","","","0.1164","0.1404","","","","","","1.018","","","","has coordinates,has disorder","278972","2022-11-07","05:15:04",""
"1567740","44.352","0.011","18.147","0.004","30.839","0.007","90","","102.49","0.009","90","","24234","10","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C92 H90 Al8 F72 Ga2 O8 -","- C91.9966 H90 Al8 F71.9923 Ga2 O7.99915 -","- C735.973 H720 Al64 F575.939 Ga16 O63.9932 -","8","2","","Dabringhaus, Philipp; Krossing, Ingo","From mixed group 13 cations [M(AlCp*)3]+ (M = Ga/In/Tl) to an Al4+ cluster","Chemical Science","2022","13","41","12078","12086","10.1039/D2SC04637G","","x-ray","0.71073","MoKα","","0.0727","0.0415","","","0.0942","0.1072","","","","","","1.018","","","","has coordinates,has disorder","278966","2022-11-07","05:13:34",""
"1567741","17.181","0.007","21.399","0.006","21.691","0.005","117.464","0.012","90.245","0.014","90.863","0.016","7075","4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C55 H66 Al4 F36 Ga N3 O4 -","- C54.996 H66 Al4 F35.991 Ga N3 O3.999 -","- C219.984 H264 Al16 F143.964 Ga4 N12 O15.996 -","4","2","","Dabringhaus, Philipp; Krossing, Ingo","From mixed group 13 cations [M(AlCp*)3]+ (M = Ga/In/Tl) to an Al4+ cluster","Chemical Science","2022","13","41","12078","12086","10.1039/D2SC04637G","","x-ray","0.71073","MoKα","","0.1249","0.0743","","","0.1716","0.2022","","","","","","1.051","","","","has coordinates,has disorder","278966","2022-11-07","05:13:34",""
"1567742","10.927","0.006","17.637","0.011","19.087","0.01","94.601","0.014","97.945","0.015","98.66","0.03","3582","4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C56.88 H67.67 Al4 F36.06 Ga N3 O3.97 -","- C56.87 H67.665 Al4 F36.045 Ga N3 O3.968 -","- C113.74 H135.33 Al8 F72.09 Ga2 N6 O7.936 -","2","1","","Dabringhaus, Philipp; Krossing, Ingo","From mixed group 13 cations [M(AlCp*)3]+ (M = Ga/In/Tl) to an Al4+ cluster","Chemical Science","2022","13","41","12078","12086","10.1039/D2SC04637G","","x-ray","0.71073","MoKα","","0.0869","0.0609","","","0.1469","0.1617","","","","","","1.052","","","","has coordinates,has disorder","278966","2022-11-07","05:13:34",""
"1567743","21.369","0.008","17.024","0.003","21.581","0.007","90","","116.118","0.016","90","","7049","4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C55 H66 Al5 F36 N3 O4 -","- C55 H66 Al5 F36 N3 O4 -","- C220 H264 Al20 F144 N12 O16 -","4","1","","Dabringhaus, Philipp; Krossing, Ingo","From mixed group 13 cations [M(AlCp*)3]+ (M = Ga/In/Tl) to an Al4+ cluster","Chemical Science","2022","13","41","12078","12086","10.1039/D2SC04637G","","x-ray","0.71073","MoKα","","0.0523","0.0357","","","0.0841","0.094","","","","","","1.026","","","","has coordinates,has disorder","278966","2022-11-07","05:13:34",""
"1567744","16.445","0.006","16.685","0.006","28.346","0.009","80.473","0.015","83.826","0.01","60.715","0.009","6687","4","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C52.45 H49.31 Al4 F38.14 Ga O4 -","- C52.454 H49.308 Al4 F38.136 Ga O3.998 -","- C209.816 H197.232 Al16 F152.544 Ga4 O15.992 -","4","2","","Dabringhaus, Philipp; Krossing, Ingo","From mixed group 13 cations [M(AlCp*)3]+ (M = Ga/In/Tl) to an Al4+ cluster","Chemical Science","2022","13","41","12078","12086","10.1039/D2SC04637G","","x-ray","0.71073","MoKα","","0.0861","0.0553","","","0.1514","0.1746","","","","","","1.025","","","","has coordinates,has disorder","278966","2022-11-07","05:13:34",""
"1567745","22.345","0.017","26.95","0.03","29.77","0.02","88.88","0.03","70.81","0.05","70.94","0.05","15925","3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C48.13 H46.42 Al4 F36.71 O4 Tl -","- C48.1285 H46.4163 Al4 F36.7172 O4.001 Tl -","- C481.285 H464.163 Al40 F367.172 O40.01 Tl10 -","10","5","","Dabringhaus, Philipp; Krossing, Ingo","From mixed group 13 cations [M(AlCp*)3]+ (M = Ga/In/Tl) to an Al4+ cluster","Chemical Science","2022","13","41","12078","12086","10.1039/D2SC04637G","","x-ray","0.71073","MoKα","","0.1018","0.0583","","","0.141","0.1631","","","","","","1.031","","","","has coordinates,has disorder","278966","2022-11-07","05:13:34",""
"1567746","22.327","0.006","26.903","0.008","29.692","0.009","88.983","0.007","70.929","0.009","70.884","0.007","15847","8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C48.1 H46.39 Al4 F36.73 In O4 -","- C48.102 H46.3922 Al4 F36.7267 In O4.0034 -","- C481.02 H463.922 Al40 F367.267 In10 O40.034 -","10","5","","Dabringhaus, Philipp; Krossing, Ingo","From mixed group 13 cations [M(AlCp*)3]+ (M = Ga/In/Tl) to an Al4+ cluster","Chemical Science","2022","13","41","12078","12086","10.1039/D2SC04637G","","x-ray","0.71073","MoKα","","0.0911","0.0622","","","0.1666","0.192","","","","","","1.025","","","","has coordinates,has disorder","278966","2022-11-07","05:13:34",""
"1567748","9.97","0.0004","11.8236","0.0005","13.3559","0.0005","90","","90","","90","","1574.41","0.11","293","2","293","2","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","2-imidizolidinone","2-imidizolidinone","","- C3 H6 N2 O -","- C3 H6 N2 O -","- C48 H96 N32 O16 -","16","0.5","","Bellas, Michael K.; Matzger, Adam J.","Discovery strategy leads to the first melt-castable cocrystal based on an energetic oxidizing salt","Chemical Science","2022","13","41","12100","12106","10.1039/D2SC03015B","","","1.54184","CuKα","","0.0535","0.0524","","","0.1273","0.1285","","","","","","1.136","","","","has coordinates","278969","2022-11-07","05:14:20",""
"1567749","5.25069","0.00016","7.8976","0.0003","11.4023","0.0004","82.781","0.003","79.266","0.003","84.108","0.003","459.35","0.03","293","2","293","2","","","","","","","","6","P -1","-P 1","2","ammonium hexafluorophosphate 2-imidizolidinone cocrystal","ammonium hexafluorophosphate 2-imidizolidinone cocrystal","","- C3 H10 F6 N3 O P -","- C3 H10 F6 N3 O P -","- C6 H20 F12 N6 O2 P2 -","2","1","","Bellas, Michael K.; Matzger, Adam J.","Discovery strategy leads to the first melt-castable cocrystal based on an energetic oxidizing salt","Chemical Science","2022","13","41","12100","12106","10.1039/D2SC03015B","","","1.54184","CuKα","","0.0718","0.0661","","","0.195","0.2019","","","","","","1.117","","","","has coordinates","278969","2022-11-07","05:14:20",""
"1567750","14.6572","0.0004","3.71857","0.00012","20.3958","0.0007","90","","108.778","0.003","90","","1052.48","0.06","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","ammonium dinitramide urea cocrystal","ammonium dinitramide urea cocrystal","","- C2 H12 N8 O6 -","- C2 H12 N8 O6 -","- C8 H48 N32 O24 -","4","1","","Bellas, Michael K.; Matzger, Adam J.","Discovery strategy leads to the first melt-castable cocrystal based on an energetic oxidizing salt","Chemical Science","2022","13","41","12100","12106","10.1039/D2SC03015B","","","1.54184","CuKα","","0.0467","0.0415","","","0.1168","0.1222","","","","","","1.041","","","","has coordinates","278969","2022-11-07","05:14:20",""
"1567751","24.756","0.0005","4.29","0.0001","17.8827","0.0003","90","","107.988","0.002","90","","1806.37","0.07","273","2","273","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","ammonium dinitramide 2-imidizolidinone cocrystal","ammonium dinitramide 2-imidizolidinone cocrystal","","- C3 H10 N6 O5 -","- C3 H10 N6 O5 -","- C24 H80 N48 O40 -","8","1","","Bellas, Michael K.; Matzger, Adam J.","Discovery strategy leads to the first melt-castable cocrystal based on an energetic oxidizing salt","Chemical Science","2022","13","41","12100","12106","10.1039/D2SC03015B","","","1.54184","CuKα","","0.0611","0.0587","","","0.188","0.1927","","","","","","1.047","","","","has coordinates,has disorder","278969","2022-11-07","05:14:20",""
"1567752","14.7309","0.0005","3.59237","0.00011","20.2453","0.0007","90","","108.791","0.004","90","","1014.25","0.06","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","ammonium dinitramide urea cocrystal","ammonium dinitramide urea cocrystal","","- C2 H12 N8 O6 -","- C2 H12 N8 O6 -","- C8 H48 N32 O24 -","4","1","","Bellas, Michael K.; Matzger, Adam J.","Discovery strategy leads to the first melt-castable cocrystal based on an energetic oxidizing salt","Chemical Science","2022","13","41","12100","12106","10.1039/D2SC03015B","","","1.54184","CuKα","","0.0417","0.0396","","","0.1109","0.1131","","","","","","1.076","","","","has coordinates","278969","2022-11-07","05:14:21",""
"1567753","11.4292","0.0005","5.5925","0.0002","11.1451","0.0004","90","","92.547","0.004","90","","711.67","0.05","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","ammonium hexafluorophosphate pyrazine-1,4-dioxide cocrystal","ammonium hexafluorophosphate pyrazine-1,4-dioxide cocrystal","","- C2 H6 F6 N2 O P -","- C2 H6 F6 N2 O P -","- C8 H24 F24 N8 O4 P4 -","4","1","","Bellas, Michael K.; Matzger, Adam J.","Discovery strategy leads to the first melt-castable cocrystal based on an energetic oxidizing salt","Chemical Science","2022","13","41","12100","12106","10.1039/D2SC03015B","","","1.54184","CuKα","","0.0788","0.0732","","","0.2177","0.2254","","","","","","1.12","","","","has coordinates,has disorder","278969","2022-11-07","05:14:21",""
"1567754","7.67243","0.00012","8.07957","0.00012","24.2351","0.0004","90","","90","","90","","1502.33","0.04","100","0.1","100","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C H8 F6 N3 O P -","- C H8 F6 N3 O P -","- C8 H64 F48 N24 O8 P8 -","8","1","","Bellas, Michael K.; Matzger, Adam J.","Discovery strategy leads to the first melt-castable cocrystal based on an energetic oxidizing salt","Chemical Science","2022","13","41","12100","12106","10.1039/D2SC03015B","","x-ray","1.54184","CuKα","","0.0364","0.0339","","","0.0942","0.0964","","","","","","1.059","","","","has coordinates","278969","2022-11-07","05:14:21",""
"1567756","14.4807","0.0002","27.8595","0.0005","18.7836","0.0002","90","","90","","90","","7577.77","0.19","173","0.1","173","0.1","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C66.95 H108.34 N0.52 O21.95 V6 -","- C66.958 H108.346 N0.523 O21.955 V6 -","- C267.832 H433.384 N2.092 O87.82 V24 -","4","0.5","","Cooney, Shannon E.; Fertig, Alex A.; Buisch, Madeleine R.; Brennessel, William W.; Matson, Ellen M.","Coordination-induced bond weakening of water at the surface of an oxygen-deficient polyoxovanadate cluster.","Chemical science","2022","13","43","12726","12737","10.1039/d2sc04843d","","x-ray","1.54184","CuKα","","0.0843","0.0644","","","0.1861","0.2032","","","","","","1.038","","","","has coordinates,has disorder","280168","2023-01-06","09:35:35",""
"1567757","8.092","0.0002","5.9484","0.0001","19.5057","0.0004","90","","98.051","0.002","90","","929.64","0.03","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H23 F O4 -","- C21 H23 F O4 -","- C42 H46 F2 O8 -","2","1","","Liao, Ling; Zhang, Ying; Wu, Zhong-Wei; Ye, Zhong-Tian; Zhang, Xue-Xin; Chen, Guangying; Yu, Jin-Sheng","Nickel-catalyzed regio- and enantio-selective Markovnikov hydromonofluoroalkylation of 1,3-dienes","Chemical Science","2022","13","42","12519","12526","10.1039/D2SC03958C","","","1.54184","CuKα","","0.0312","0.0289","","","0.0721","0.0733","","","","","","1.044","","","","has coordinates","278974","2022-11-07","05:16:04",""
"1567758","7.5543","0.0001","10.058","0.0001","28.1125","0.0002","90","","90","","90","","2136.02","0.04","173","0.1","173","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H21 F O4 S2 -","- C23 H21 F O4 S2 -","- C92 H84 F4 O16 S8 -","4","1","","Liao, Ling; Zhang, Ying; Wu, Zhong-Wei; Ye, Zhong-Tian; Zhang, Xue-Xin; Chen, Guangying; Yu, Jin-Sheng","Nickel-catalyzed regio- and enantio-selective Markovnikov hydromonofluoroalkylation of 1,3-dienes","Chemical Science","2022","13","42","12519","12526","10.1039/D2SC03958C","","x-ray","1.54184","CuKα","","0.0223","0.0223","","","0.0585","0.0586","","","","","","1.097","","","","has coordinates","278974","2022-11-07","05:16:06",""
"1567759","5.7302","0.0007","9.9783","0.0012","11.5048","0.0017","83.662","0.004","89.167","0.005","86.054","0.004","652.23","0.15","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H20.2 N2 O2.1 -","- C13 H20.196 N2 O2.098 -","- C26 H40.392 N4 O4.196 -","2","1","","Tien, Chieh-Hung; Lough, Alan J.; Yudin, Andrei K.","Iminologous epoxide ring-closure","Chemical Science","2022","13","41","12175","12179","10.1039/D2SC04496J","","","0.71073","MoKα","","0.0495","0.0367","","","0.0867","0.092","","","","","","1.045","","","","has coordinates,has disorder","278965","2022-11-07","05:12:47",""
"1567760","11.2115","0.0008","11.5329","0.0009","11.145","0.0008","90","","104.981","0.004","90","","1392.08","0.18","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H19 N O5 -","- C13 H19 N O5 -","- C52 H76 N4 O20 -","4","1","","Tien, Chieh-Hung; Lough, Alan J.; Yudin, Andrei K.","Iminologous epoxide ring-closure","Chemical Science","2022","13","41","12175","12179","10.1039/D2SC04496J","","","1.54178","CuKα","","0.0381","0.0343","","","0.0829","0.0853","","","","","","1.101","","","","has coordinates","278965","2022-11-07","05:12:48",""
"1567761","31.0762","0.0014","9.4685","0.0004","12.1756","0.0005","90","","91.156","0.002","90","","3581.9","0.3","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C13 H20 B F3 N2 O3 -","- C13 H20 B F3 N2 O3 -","- C104 H160 B8 F24 N16 O24 -","8","1","","Tien, Chieh-Hung; Lough, Alan J.; Yudin, Andrei K.","Iminologous epoxide ring-closure","Chemical Science","2022","13","41","12175","12179","10.1039/D2SC04496J","","","1.54178","CuKα","","0.0504","0.0451","","","0.121","0.124","","","","","","1.051","","","","has coordinates","278965","2022-11-07","05:12:48",""
"1567762","16.617","0.0005","11.8972","0.0003","22.9385","0.0007","90","","90","","90","","4534.8","0.2","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H34 N2 O5 S -","- C22 H34 N2 O5 S -","- C176 H272 N16 O40 S8 -","8","1","","Tien, Chieh-Hung; Lough, Alan J.; Yudin, Andrei K.","Iminologous epoxide ring-closure","Chemical Science","2022","13","41","12175","12179","10.1039/D2SC04496J","","","1.54178","CuKα","","0.0595","0.0525","","","0.1348","0.1402","","","","","","1.05","","","","has coordinates,has disorder","278965","2022-11-07","05:12:48",""
"1567763","4.5926","0.0003","5.6626","0.0004","12.165","0.0008","86.311","0.002","88.909","0.002","81.003","0.002","311.81","0.04","150","2","150","2","","","","","","","","6","P 1","P 1","1","","","","- C12 H10 Br F N2 S -","- C12 H10 Br F N2 S -","- C12 H10 Br F N2 S -","1","1","","Zhao, Ruyan; Zhu, Tong; Wang, Sasa; Jarrett-Wilkins, Charlie; Najjarian, Amin Morteza; Lough, Alan J.; Hoogland, Sjoerd; Sargent, Edward H.; Seferos, Dwight S.","Engineering hydrogen bonding to align molecular dipoles in organic solids for efficient second harmonic generation","Chemical Science","2022","13","41","12144","12148","10.1039/D2SC03994J","","","0.71073","MoKα","","0.0249","0.0228","","","0.0332","0.0334","","","","","","1.053","","","","has coordinates,has disorder","278967","2022-11-07","05:13:42",""
"1567764","4.5711","0.001","12.769","0.003","13.073","0.003","69.971","0.006","89.227","0.006","85.826","0.006","714.9","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H11 Br2 F N2 S -","- C12 H11 Br2 F N2 S -","- C24 H22 Br4 F2 N4 S2 -","2","1","","Zhao, Ruyan; Zhu, Tong; Wang, Sasa; Jarrett-Wilkins, Charlie; Najjarian, Amin Morteza; Lough, Alan J.; Hoogland, Sjoerd; Sargent, Edward H.; Seferos, Dwight S.","Engineering hydrogen bonding to align molecular dipoles in organic solids for efficient second harmonic generation","Chemical Science","2022","13","41","12144","12148","10.1039/D2SC03994J","","","0.71073","MoKα","","0.0563","0.0309","","","0.0539","0.0581","","","","","","1.01","","","","has coordinates","278967","2022-11-07","05:13:42",""
"1567775","7.7082","0.0003","12.0888","0.0005","12.3892","0.0005","90","","90","","90","","1154.46","0.08","100","0.2","100","0.2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H14 O3 -","- C15 H14 O3 -","- C60 H56 O12 -","4","1","","Guan, Fujun; Zhou, Rong; Ren, Xiaoyu; Guo, Zhen; Wang, Chengming; Zhou, Cong-Ying","Asymmetric dearomative cyclopropanation of naphthalenes to construct polycyclic compounds.","Chemical science","2022","13","44","13015","13019","10.1039/d2sc04509e","","x-ray","1.54178","CuKα","","0.025","0.0248","","","0.0639","0.0642","","","","","","1.078","","","","has coordinates","280165","2023-01-06","09:34:32",""
"1567776","7.0572","0.0006","10.6743","0.0007","15.6753","0.0012","90","","90","","90","","1180.83","0.16","100","0.2","100","0.2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H13 Br O2 -","- C15 H13 Br O2 -","- C60 H52 Br4 O8 -","4","1","","Guan, Fujun; Zhou, Rong; Ren, Xiaoyu; Guo, Zhen; Wang, Chengming; Zhou, Cong-Ying","Asymmetric dearomative cyclopropanation of naphthalenes to construct polycyclic compounds.","Chemical science","2022","13","44","13015","13019","10.1039/d2sc04509e","","x-ray","1.54178","CuKα","","0.031","0.0309","","","0.0781","0.0781","","","","","","1.089","","","","has coordinates","280165","2023-01-06","09:34:32",""
"1567779","12.2903","0.0003","13.3012","0.0003","15.6001","0.0003","90","","90","","90","","2550.24","0.1","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C11 H14 Cl Fe O2 P -","- C11 H14 Cl Fe O2 P -","- C88 H112 Cl8 Fe8 O16 P8 -","8","1","","Xin, Tiansi; Geeson, Michael B.; Zhu, Hui; Qu, Zheng-Wang; Grimme, Stefan; Cummins, Christopher C.","Synthesis of phosphiranes <i>via</i> organoiron-catalyzed phosphinidene transfer to electron-deficient olefins.","Chemical science","2022","13","43","12696","12702","10.1039/d2sc05011k","","","0.71073","MoKα","","0.0257","0.0205","","","0.0487","0.0513","","","","","","1.045","","","","has coordinates","280170","2023-01-06","09:35:51",""
"1567780","8.0716","0.0002","22.6406","0.0005","9.6109","0.0002","90","","107.934","0.001","90","","1671.01","0.07","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H20 Cl Fe O4 P -","- C15 H20 Cl Fe O4 P -","- C60 H80 Cl4 Fe4 O16 P4 -","4","1","","Xin, Tiansi; Geeson, Michael B.; Zhu, Hui; Qu, Zheng-Wang; Grimme, Stefan; Cummins, Christopher C.","Synthesis of phosphiranes <i>via</i> organoiron-catalyzed phosphinidene transfer to electron-deficient olefins.","Chemical science","2022","13","43","12696","12702","10.1039/d2sc05011k","","","0.71073","MoKα","","0.0221","0.0207","","","0.0547","0.0554","","","","","","1.057","","","","has coordinates","280170","2023-01-06","09:35:51",""
"1567781","21.4541","0.0005","9.6814","0.0002","23.524","0.0005","90","","90","","90","","4886.07","0.18","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C11 H14 F Fe O2 P -","- C11 H13.928 F Fe O2 P -","- C176 H222.848 F16 Fe16 O32 P16 -","16","2","","Xin, Tiansi; Geeson, Michael B.; Zhu, Hui; Qu, Zheng-Wang; Grimme, Stefan; Cummins, Christopher C.","Synthesis of phosphiranes <i>via</i> organoiron-catalyzed phosphinidene transfer to electron-deficient olefins.","Chemical science","2022","13","43","12696","12702","10.1039/d2sc05011k","","","0.71073","MoKα","","0.0428","0.0323","","","0.081","0.0877","","","","","","1.039","","","","has coordinates,has disorder","280170","2023-01-06","09:35:51",""
"1567786","5.60939","0.0001","10.26643","0.00019","22.2551","0.0004","90","","90","","90","","1281.64","0.04","99.97","0.1","99.97","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 O2 -","- C15 H20 O2 -","- C60 H80 O8 -","4","1","","Tian, Peilin; Ye, Wenkang; Zhang, Xiayan; Tong, Yi; Qian, Pei-Yuan; Tong, Rongbiao","Ten-step asymmetric total syntheses of potent antibiotics anthracimycin and anthracimycin B.","Chemical science","2022","13","43","12776","12781","10.1039/d2sc05049h","","x-ray","1.54184","CuKα","","0.0351","0.0348","","","0.091","0.0912","","","","","","1.057","","","","has coordinates","280169","2023-01-06","09:35:42",""
"1567787","5.5419","0.0002","15.3789","0.0005","25.7913","0.0008","90","","90","","90","","2198.15","0.13","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H32 O4 -","- C25 H32 O4 -","- C100 H128 O16 -","4","1","","Tian, Peilin; Ye, Wenkang; Zhang, Xiayan; Tong, Yi; Qian, Pei-Yuan; Tong, Rongbiao","Ten-step asymmetric total syntheses of potent antibiotics anthracimycin and anthracimycin B.","Chemical science","2022","13","43","12776","12781","10.1039/d2sc05049h","","x-ray","1.54184","CuKα","","0.0797","0.0709","","","0.1844","0.1917","","","","","","1.063","","","","has coordinates","280169","2023-01-06","09:35:43",""
"1567790","8.4543","0.0009","8.9233","0.0015","9.8274","0.0014","111.704","0.014","98.837","0.011","101.362","0.011","654.12","0.19","200","0.1","200","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C10 H9 F7 N2 O3 -","- C10 H9 F7 N2 O3 -","- C20 H18 F14 N4 O6 -","2","1","","Deolka, Shubham; Govindarajan, Ramadoss; Vasylevskyi, Serhii; Roy, Michael C.; Khusnutdinova, Julia R.; Khaskin, Eugene","Ligand-free nickel catalyzed perfluoroalkylation of arenes and heteroarenes.","Chemical science","2022","13","44","12971","12979","10.1039/d2sc03879j","","x-ray","0.71073","MoKα","","0.1604","0.0649","","","0.1367","0.1834","","","","","","0.986","","","","has coordinates,has disorder","280161","2023-01-06","09:33:38",""
"1567791","7.9519","0.0006","8.3267","0.0006","9.1611","0.0007","82.449","0.006","72.42","0.007","77.031","0.006","562.18","0.08","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C9 H9 F5 N2 O3 -","- C9 H9 F5 N2 O3 -","- C18 H18 F10 N4 O6 -","2","1","","Deolka, Shubham; Govindarajan, Ramadoss; Vasylevskyi, Serhii; Roy, Michael C.; Khusnutdinova, Julia R.; Khaskin, Eugene","Ligand-free nickel catalyzed perfluoroalkylation of arenes and heteroarenes.","Chemical science","2022","13","44","12971","12979","10.1039/d2sc03879j","","x-ray","1.54184","CuKα","","0.0492","0.0438","","","0.1281","0.1326","","","","","","1.097","","","","has coordinates","280161","2023-01-06","09:33:38",""
"1567792","7.832","0.0007","6.1313","0.0005","22.493","0.0017","90","","93.678","0.007","90","","1077.9","0.15","200","0.1","200","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H8 F5 N -","- C11 H8 F5 N -","- C44 H32 F20 N4 -","4","1","","Deolka, Shubham; Govindarajan, Ramadoss; Vasylevskyi, Serhii; Roy, Michael C.; Khusnutdinova, Julia R.; Khaskin, Eugene","Ligand-free nickel catalyzed perfluoroalkylation of arenes and heteroarenes.","Chemical science","2022","13","44","12971","12979","10.1039/d2sc03879j","","x-ray","0.71073","MoKα","","0.0867","0.0566","","","0.128","0.149","","","","","","1.04","","","","has coordinates","280161","2023-01-06","09:33:38",""
"1567793","20.3374","0.0007","7.1756","0.0003","14.0098","0.0007","90","","92.999","0.004","90","","2041.69","0.15","100","","100","","","","","","","","","5","I 1 2 1","I 2y","5","","","","- C20 H18 F5 N O5 -","- C20 H18 F5 N O5 -","- C80 H72 F20 N4 O20 -","4","1","","Deolka, Shubham; Govindarajan, Ramadoss; Vasylevskyi, Serhii; Roy, Michael C.; Khusnutdinova, Julia R.; Khaskin, Eugene","Ligand-free nickel catalyzed perfluoroalkylation of arenes and heteroarenes.","Chemical science","2022","13","44","12971","12979","10.1039/d2sc03879j","","x-ray","1.54184","CuKα","","0.0606","0.0567","","","0.1515","0.1549","","","","","","1.077","","","","has coordinates,has disorder","280161","2023-01-06","09:33:38",""
"1567794","14.2321","0.0001","13.2378","0.0001","14.6287","0.0002","90","","93.153","0.001","90","","2751.9","0.05","100.01","0.11","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21.5 H25 Cu N6.75 O7 -","- C21.5 H25 Cu N6.75 O7 -","- C86 H100 Cu4 N27 O28 -","4","1","","Zeng, Heng; Xie, Xiao-Jing; Wang, Ying; Luo, Dong; Wei, Rong-Jia; Lu, Weigang; Li, Dan","Spatial disposition of square-planar mononuclear nodes in metal-organic frameworks for C<sub>2</sub>H<sub>2</sub>/CO<sub>2</sub> separation.","Chemical science","2022","13","43","12876","12882","10.1039/d2sc04324f","","","1.54184","CuKα","","0.1217","0.1134","","","0.2897","0.296","","","","","","1.051","","","","has coordinates","280167","2023-01-06","09:35:23",""
"1567803","9.4465","0.0005","20.428","0.0008","11.45","0.0007","90","","112.936","0.007","90","","2034.9","0.2","127","2","127.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H58 F6 N6 O6 S2 -","- C34 H58 F6 N6 O6 S2 -","- C68 H116 F12 N12 O12 S4 -","2","0.5","","Nayak, Mithilesh Kumar; Sarkar, Pallavi; Elvers, Benedict J.; Mehta, Sakshi; Zhang, Fangyuan; Chrysochos, Nicolas; Krummenacher, Ivo; Vijayakanth, Thangavel; Narayanan, Ramakirushnan Suriya; Dolai, Ramapada; Roy, Biswarup; Malik, Vishal; Rawat, Hemant; Mondal, Abhishake; Boomishankar, Ramamoorthy; Pati, Swapan K.; Braunschweig, Holger; Schulzke, Carola; Ravat, Prince; Jana, Anukul","A bis-NHC–CAAC dimer derived dicationic diradical","Chemical Science","2022","13","42","12533","12539","10.1039/D2SC03937K","","","0.71073","MoKα","","0.0487","0.041","","","0.1081","0.1127","","","","","","1.047","","","","has coordinates,has disorder","278973","2022-11-07","05:15:48",""
"1567804","8.4164","0.0004","9.9098","0.0003","10.3761","0.0004","101.12","0.003","111.201","0.004","93.802","0.003","782.89","0.06","120","2","120.15","","","","","","","","","3","P -1","-P 1","2","","","","- C32 H54 N6 -","- C32 H54 N6 -","- C32 H54 N6 -","1","0.5","","Nayak, Mithilesh Kumar; Sarkar, Pallavi; Elvers, Benedict J.; Mehta, Sakshi; Zhang, Fangyuan; Chrysochos, Nicolas; Krummenacher, Ivo; Vijayakanth, Thangavel; Narayanan, Ramakirushnan Suriya; Dolai, Ramapada; Roy, Biswarup; Malik, Vishal; Rawat, Hemant; Mondal, Abhishake; Boomishankar, Ramamoorthy; Pati, Swapan K.; Braunschweig, Holger; Schulzke, Carola; Ravat, Prince; Jana, Anukul","A bis-NHC–CAAC dimer derived dicationic diradical","Chemical Science","2022","13","42","12533","12539","10.1039/D2SC03937K","","","0.71073","MoKα","","0.0518","0.0441","","","0.1144","0.1189","","","","","","1.064","","","","has coordinates","278973","2022-11-07","05:15:50",""
"1567805","11.2729","0.0004","20.2466","0.0007","19.5699","0.0006","90","","92.742","0.003","90","","4461.5","0.3","100.15","","100.15","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C35 H56 F9 N6 O9 S3 -","- C35 H56 F9 N6 O9 S3 -","- C140 H224 F36 N24 O36 S12 -","4","0.5","","Nayak, Mithilesh Kumar; Sarkar, Pallavi; Elvers, Benedict J.; Mehta, Sakshi; Zhang, Fangyuan; Chrysochos, Nicolas; Krummenacher, Ivo; Vijayakanth, Thangavel; Narayanan, Ramakirushnan Suriya; Dolai, Ramapada; Roy, Biswarup; Malik, Vishal; Rawat, Hemant; Mondal, Abhishake; Boomishankar, Ramamoorthy; Pati, Swapan K.; Braunschweig, Holger; Schulzke, Carola; Ravat, Prince; Jana, Anukul","A bis-NHC–CAAC dimer derived dicationic diradical","Chemical Science","2022","13","42","12533","12539","10.1039/D2SC03937K","","","0.71073","MoKα","","0.0544","0.0479","","","0.1248","0.1283","","","","","","1.065","","","","has coordinates,has disorder","278973","2022-11-07","05:15:50",""
"1567806","12.7027","0.0003","13.3266","0.0003","14.3241","0.0003","90","","93.044","0.002","90","","2421.42","0.09","101","2","101.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H56 F12 N6 O12 S4 -","- C36 H56 F12 N6 O12 S4 -","- C72 H112 F24 N12 O24 S8 -","2","0.5","","Nayak, Mithilesh Kumar; Sarkar, Pallavi; Elvers, Benedict J.; Mehta, Sakshi; Zhang, Fangyuan; Chrysochos, Nicolas; Krummenacher, Ivo; Vijayakanth, Thangavel; Narayanan, Ramakirushnan Suriya; Dolai, Ramapada; Roy, Biswarup; Malik, Vishal; Rawat, Hemant; Mondal, Abhishake; Boomishankar, Ramamoorthy; Pati, Swapan K.; Braunschweig, Holger; Schulzke, Carola; Ravat, Prince; Jana, Anukul","A bis-NHC–CAAC dimer derived dicationic diradical","Chemical Science","2022","13","42","12533","12539","10.1039/D2SC03937K","","","0.71073","MoKα","","0.0338","0.0309","","","0.0763","0.0778","","","","","","1.03","","","","has coordinates","278973","2022-11-07","05:15:50",""
"1567807","7.9568","0.0004","18.1921","0.001","11.2323","0.0007","90","","107.697","0.006","90","","1548.94","0.16","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C32 H56 N6 -","- C32 H56 N6 -","- C64 H112 N12 -","2","0.5","","Nayak, Mithilesh Kumar; Sarkar, Pallavi; Elvers, Benedict J.; Mehta, Sakshi; Zhang, Fangyuan; Chrysochos, Nicolas; Krummenacher, Ivo; Vijayakanth, Thangavel; Narayanan, Ramakirushnan Suriya; Dolai, Ramapada; Roy, Biswarup; Malik, Vishal; Rawat, Hemant; Mondal, Abhishake; Boomishankar, Ramamoorthy; Pati, Swapan K.; Braunschweig, Holger; Schulzke, Carola; Ravat, Prince; Jana, Anukul","A bis-NHC–CAAC dimer derived dicationic diradical","Chemical Science","2022","13","42","12533","12539","10.1039/D2SC03937K","","","0.71073","MoKα","","0.0611","0.0473","","","0.1096","0.1146","","","","","","1.051","","","","has coordinates","278973","2022-11-07","05:15:50",""
"1567808","10.2368","0.0004","11.7148","0.0005","20.4531","0.0008","90","","92.856","0.003","90","","2449.73","0.17","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H72 F6 N6 O8 S2 -","- C42 H72 F6 N6 O8 S2 -","- C84 H144 F12 N12 O16 S4 -","2","0.5","","Nayak, Mithilesh Kumar; Sarkar, Pallavi; Elvers, Benedict J.; Mehta, Sakshi; Zhang, Fangyuan; Chrysochos, Nicolas; Krummenacher, Ivo; Vijayakanth, Thangavel; Narayanan, Ramakirushnan Suriya; Dolai, Ramapada; Roy, Biswarup; Malik, Vishal; Rawat, Hemant; Mondal, Abhishake; Boomishankar, Ramamoorthy; Pati, Swapan K.; Braunschweig, Holger; Schulzke, Carola; Ravat, Prince; Jana, Anukul","A bis-NHC–CAAC dimer derived dicationic diradical","Chemical Science","2022","13","42","12533","12539","10.1039/D2SC03937K","","","0.71073","MoKα","","0.0733","0.0607","","","0.1634","0.1746","","","","","","1.028","","","","has coordinates,has disorder","278973","2022-11-07","05:15:50",""
"1567809","8.4","0.0005","10.3658","0.0007","20.0368","0.0013","78.183","0.005","79.823","0.005","82.783","0.005","1673.56","0.19","297","2","297","2","","","","","","","","3","P -1","-P 1","2","","","","- C33 H56 N6 -","- C33 H56 N6 -","- C66 H112 N12 -","2","1","","Nayak, Mithilesh Kumar; Sarkar, Pallavi; Elvers, Benedict J.; Mehta, Sakshi; Zhang, Fangyuan; Chrysochos, Nicolas; Krummenacher, Ivo; Vijayakanth, Thangavel; Narayanan, Ramakirushnan Suriya; Dolai, Ramapada; Roy, Biswarup; Malik, Vishal; Rawat, Hemant; Mondal, Abhishake; Boomishankar, Ramamoorthy; Pati, Swapan K.; Braunschweig, Holger; Schulzke, Carola; Ravat, Prince; Jana, Anukul","A bis-NHC–CAAC dimer derived dicationic diradical","Chemical Science","2022","13","42","12533","12539","10.1039/D2SC03937K","","","0.71073","MoKα","","0.0873","0.0602","","","0.1675","0.1818","","","","","","1.082","","","","has coordinates","278973","2022-11-07","05:15:50",""
"1567810","11.5251","0.001","28.9745","0.0015","11.6064","0.0009","90","","119.306","0.011","90","","3379.7","0.6","250","2","250","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C33 H58 N6 -","- C33 H58 N6 -","- C132 H232 N24 -","4","1","","Nayak, Mithilesh Kumar; Sarkar, Pallavi; Elvers, Benedict J.; Mehta, Sakshi; Zhang, Fangyuan; Chrysochos, Nicolas; Krummenacher, Ivo; Vijayakanth, Thangavel; Narayanan, Ramakirushnan Suriya; Dolai, Ramapada; Roy, Biswarup; Malik, Vishal; Rawat, Hemant; Mondal, Abhishake; Boomishankar, Ramamoorthy; Pati, Swapan K.; Braunschweig, Holger; Schulzke, Carola; Ravat, Prince; Jana, Anukul","A bis-NHC–CAAC dimer derived dicationic diradical","Chemical Science","2022","13","42","12533","12539","10.1039/D2SC03937K","","","0.71073","MoKα","","0.0805","0.0529","","","0.1333","0.1449","","","","","","1.046","","","","has coordinates","278973","2022-11-07","05:15:51",""
"1567811","9.1161","0.0004","46.1464","0.0016","11.2799","0.0006","90","","105.642","0.005","90","","4569.4","0.4","250","2","250","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H64 F6 N6 O6 S2 -","- C38 H64 F6 N6 O6 S2 -","- C152 H256 F24 N24 O24 S8 -","4","1","","Nayak, Mithilesh Kumar; Sarkar, Pallavi; Elvers, Benedict J.; Mehta, Sakshi; Zhang, Fangyuan; Chrysochos, Nicolas; Krummenacher, Ivo; Vijayakanth, Thangavel; Narayanan, Ramakirushnan Suriya; Dolai, Ramapada; Roy, Biswarup; Malik, Vishal; Rawat, Hemant; Mondal, Abhishake; Boomishankar, Ramamoorthy; Pati, Swapan K.; Braunschweig, Holger; Schulzke, Carola; Ravat, Prince; Jana, Anukul","A bis-NHC–CAAC dimer derived dicationic diradical","Chemical Science","2022","13","42","12533","12539","10.1039/D2SC03937K","","","0.71073","MoKα","","0.1226","0.0756","","","0.2015","0.2238","","","","","","1.054","","","","has coordinates,has disorder","278973","2022-11-07","05:15:51",""
"1567812","16.4086","0.0004","22.9375","0.0007","11.3222","0.0003","90","","97.679","0.002","90","","4223.1","0.2","190","2","190","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H60 F6 N6 O6 S2 -","- C35 H60 F6 N6 O6 S2 -","- C140 H240 F24 N24 O24 S8 -","4","1","","Nayak, Mithilesh Kumar; Sarkar, Pallavi; Elvers, Benedict J.; Mehta, Sakshi; Zhang, Fangyuan; Chrysochos, Nicolas; Krummenacher, Ivo; Vijayakanth, Thangavel; Narayanan, Ramakirushnan Suriya; Dolai, Ramapada; Roy, Biswarup; Malik, Vishal; Rawat, Hemant; Mondal, Abhishake; Boomishankar, Ramamoorthy; Pati, Swapan K.; Braunschweig, Holger; Schulzke, Carola; Ravat, Prince; Jana, Anukul","A bis-NHC–CAAC dimer derived dicationic diradical","Chemical Science","2022","13","42","12533","12539","10.1039/D2SC03937K","","","0.71073","MoKα","","0.0775","0.0577","","","0.1588","0.1709","","","","","","1.035","","","","has coordinates,has disorder","278973","2022-11-07","05:15:51",""
"1567813","11.1305","0.0003","11.429","0.0003","13.722","0.0004","92.322","0.002","99.653","0.002","113.256","0.002","1570.03","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H82 F12 N6 O22 S4 -","- C40 H62 F12 N6 O12 S4 -","- C40 H62 F12 N6 O12 S4 -","1","0.5","","Nayak, Mithilesh Kumar; Sarkar, Pallavi; Elvers, Benedict J.; Mehta, Sakshi; Zhang, Fangyuan; Chrysochos, Nicolas; Krummenacher, Ivo; Vijayakanth, Thangavel; Narayanan, Ramakirushnan Suriya; Dolai, Ramapada; Roy, Biswarup; Malik, Vishal; Rawat, Hemant; Mondal, Abhishake; Boomishankar, Ramamoorthy; Pati, Swapan K.; Braunschweig, Holger; Schulzke, Carola; Ravat, Prince; Jana, Anukul","A bis-NHC–CAAC dimer derived dicationic diradical","Chemical Science","2022","13","42","12533","12539","10.1039/D2SC03937K","","","0.71073","MoKα","","0.0937","0.0636","","","0.1887","0.2043","","","","","","1.043","","","","has coordinates,has disorder","278973","2022-11-07","05:15:51",""
"1567814","13.7065","0.0005","11.8374","0.0005","32.3229","0.0016","90","","91.669","0.004","90","","5242.1","0.4","250","2","250","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H65 F9 N7 O9 S3 -","- C41 H65 F9 N7 O9 S3 -","- C164 H260 F36 N28 O36 S12 -","4","1","","Nayak, Mithilesh Kumar; Sarkar, Pallavi; Elvers, Benedict J.; Mehta, Sakshi; Zhang, Fangyuan; Chrysochos, Nicolas; Krummenacher, Ivo; Vijayakanth, Thangavel; Narayanan, Ramakirushnan Suriya; Dolai, Ramapada; Roy, Biswarup; Malik, Vishal; Rawat, Hemant; Mondal, Abhishake; Boomishankar, Ramamoorthy; Pati, Swapan K.; Braunschweig, Holger; Schulzke, Carola; Ravat, Prince; Jana, Anukul","A bis-NHC–CAAC dimer derived dicationic diradical","Chemical Science","2022","13","42","12533","12539","10.1039/D2SC03937K","","","0.71073","MoKα","","0.1031","0.0641","","","0.1779","0.1938","","","","","","1.068","","","","has coordinates,has disorder","278973","2022-11-07","05:15:51",""
"1567815","27.5528","0.0014","8.4292","0.0005","22.0477","0.0012","90","","90","","90","","5120.5","0.5","297","2","297","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C42 H68 F6 N8 O6 S2 -","- C42 H68 F6 N8 O6 S2 -","- C168 H272 F24 N32 O24 S8 -","4","1","","Nayak, Mithilesh Kumar; Sarkar, Pallavi; Elvers, Benedict J.; Mehta, Sakshi; Zhang, Fangyuan; Chrysochos, Nicolas; Krummenacher, Ivo; Vijayakanth, Thangavel; Narayanan, Ramakirushnan Suriya; Dolai, Ramapada; Roy, Biswarup; Malik, Vishal; Rawat, Hemant; Mondal, Abhishake; Boomishankar, Ramamoorthy; Pati, Swapan K.; Braunschweig, Holger; Schulzke, Carola; Ravat, Prince; Jana, Anukul","A bis-NHC–CAAC dimer derived dicationic diradical","Chemical Science","2022","13","42","12533","12539","10.1039/D2SC03937K","","","0.71073","MoKα","","0.1046","0.0741","","","0.2041","0.2258","","","","","","1.026","","","","has coordinates,has disorder","278973","2022-11-07","05:15:51",""
"1567816","14.521","0.003","11.291","0.002","30.821","0.006","90","","93.8","0.03","90","","5042.2","1.7","170","2","170","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H59 F12 N6 O12.5 S4 -","- C37 H59 F12 N6 O12.5 S4 -","- C148 H236 F48 N24 O50 S16 -","4","1","","Nayak, Mithilesh Kumar; Sarkar, Pallavi; Elvers, Benedict J.; Mehta, Sakshi; Zhang, Fangyuan; Chrysochos, Nicolas; Krummenacher, Ivo; Vijayakanth, Thangavel; Narayanan, Ramakirushnan Suriya; Dolai, Ramapada; Roy, Biswarup; Malik, Vishal; Rawat, Hemant; Mondal, Abhishake; Boomishankar, Ramamoorthy; Pati, Swapan K.; Braunschweig, Holger; Schulzke, Carola; Ravat, Prince; Jana, Anukul","A bis-NHC–CAAC dimer derived dicationic diradical","Chemical Science","2022","13","42","12533","12539","10.1039/D2SC03937K","","","0.71073","MoKα","","0.1276","0.0548","","","0.1153","0.1442","","","","","","1.04","","","","has coordinates,has disorder","278973","2022-11-07","05:15:51",""
"1567817","8.5649","0.0003","10.4376","0.0003","9.9968","0.0003","90","","98.418","0.001","90","","884.06","0.05","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H19 N O -","- C25 H19 N O -","- C50 H38 N2 O2 -","2","1","","Gu, Xiaodong; Liu, Kexin; Yang, Limin; Xie, Chengyi; Li, Mingliang; Wang, Jun (Joelle)","Nickel-catalyzed enantioselective α-heteroarylation of ketones via C–F bond activation to construct all-carbon quaternary stereocenters","Chemical Science","2022","13","42","12498","12502","10.1039/D2SC03409C","","x-ray","1.54178","CuKα","","0.0253","0.0251","","","0.0642","0.0644","","","","","","1.071","","","","has coordinates","278970","2022-11-07","05:14:46",""
"1567818","11.3144","0.0019","11.4859","0.0018","12.22","0.002","88.259","0.005","81.481","0.005","65.401","0.004","1427.1","0.4","203.65","","203.65","","","","","","","","","5","P -1","-P 1","2","","MnC30N2S4H32","","- C30 H32 Mn N2 S4 -","- C30 H32 Mn N2 S4 -","- C60 H64 Mn2 N4 S8 -","2","1","","Elsby, Matthew R.; Oh, Changjin; Son, Mina; Kim, Scott Y. H.; Baik, Mu-Hyun; Baker, R. Tom","Spin-state crossover in photo-catalyzed nitrile dihydroboration via Mn-thiolate cooperation","Chemical Science","2022","13","42","12550","12559","10.1039/D2SC04339D","","","0.71073","MoKα","","0.0878","0.0464","","","0.096","0.1103","","","","","","0.975","","","","has coordinates","278971","2022-11-07","05:14:54",""
"1567819","13.8594","0.001","19.0914","0.0013","16.2268","0.0011","90","","103","0.002","90","","4183.5","0.5","200","2","200.05","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H47 Mn N4 O S4 -","- C44 H47 Mn N4 O S4 -","- C176 H188 Mn4 N16 O4 S16 -","4","1","","Elsby, Matthew R.; Oh, Changjin; Son, Mina; Kim, Scott Y. H.; Baik, Mu-Hyun; Baker, R. Tom","Spin-state crossover in photo-catalyzed nitrile dihydroboration via Mn-thiolate cooperation","Chemical Science","2022","13","42","12550","12559","10.1039/D2SC04339D","","","0.71073","MoKα","","0.0623","0.0468","","","0.1225","0.1375","","","","","","1.048","","","","has coordinates","278971","2022-11-07","05:14:54",""
"1567832","6.2055","0.0017","11.319","0.003","32.886","0.009","89.884","0.003","85.258","0.004","89.848","0.004","2302","1.1","296.15","","296.15","","","","","","","","","4","P -1","-P 1","2","","HX-5181","","- C112 H132 N8 O4 -","- C112 H128 N8 O4 -","- C112 H128 N8 O4 -","1","0.5","","He, Xin; Ma, Pengchen; Tang, Yuhai; Li, Jing; Shen, Shenyu; Lear, Martin J.; Houk, K. N.; Xu, Silong","Phosphine-catalyzed activation of cyclopropenones: a versatile C<sub>3</sub> synthon for (3+2) annulations with unsaturated electrophiles.","Chemical science","2022","13","43","12769","12775","10.1039/d2sc04092a","","","0.71073","MoKα","","0.0995","0.0728","","","0.1952","0.2062","","","","","","1.066","","","","has coordinates","280172","2023-01-06","09:36:09",""
"1567833","32.848","0.015","32.848","0.015","10.842","0.009","90","","90","","120","","10131","11","296.15","","296.15","","","","","","","","","4","R -3 :H","-R 3","148","","HX-91","","- C450 H342 N18 O36 -","- C450 H342 N18 O36 -","- C450 H342 N18 O36 -","1","0.0555556","","He, Xin; Ma, Pengchen; Tang, Yuhai; Li, Jing; Shen, Shenyu; Lear, Martin J.; Houk, K. N.; Xu, Silong","Phosphine-catalyzed activation of cyclopropenones: a versatile C<sub>3</sub> synthon for (3+2) annulations with unsaturated electrophiles.","Chemical science","2022","13","43","12769","12775","10.1039/d2sc04092a","","","0.71073","MoKα","","0.0767","0.0504","","","0.1233","0.145","","","","","","1.014","","","","has coordinates","280172","2023-01-06","09:36:09",""
"1567834","9.4143","0.0014","14.69","0.002","13.927","0.002","90","","106.73","0.002","90","","1844.5","0.5","296.15","","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","hx-523","","- C96 H76 N4 O8 -","- C96 H76 N4 O8 -","- C96 H76 N4 O8 -","1","0.25","","He, Xin; Ma, Pengchen; Tang, Yuhai; Li, Jing; Shen, Shenyu; Lear, Martin J.; Houk, K. N.; Xu, Silong","Phosphine-catalyzed activation of cyclopropenones: a versatile C<sub>3</sub> synthon for (3+2) annulations with unsaturated electrophiles.","Chemical science","2022","13","43","12769","12775","10.1039/d2sc04092a","","","0.71073","MoKα","","0.0568","0.0385","","","0.0906","0.1002","","","","","","1.021","","","","has coordinates","280172","2023-01-06","09:36:09",""
"1567835","9.497","0.0007","14.1349","0.001","16.2663","0.0011","77.872","0.006","89.269","0.006","87.51","0.006","2132.8","0.3","169.99","0.1","169.99","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C21 H27 N3 O6 -","- C21 H27 N3 O6 -","- C84 H108 N12 O24 -","4","2","","Cai, Bao-Gui; Bao, Ye-Peng; Pei, Chao; Li, Qian; Li, Lei; Koenigs, Rene M.; Xuan, Jun","Photochemical synthesis of 1,2,4-triazoles <i>via</i> addition reaction of triplet intermediates to diazoalkanes and azomethine ylide intermediates.","Chemical science","2022","13","44","13141","13146","10.1039/d2sc04720a","","x-ray","0.71073","MoKα","","0.0967","0.0709","","","0.1756","0.1955","","","","","","1.03","","","","has coordinates,has disorder","280162","2023-01-06","09:33:47",""
"1567877","10.507","0.005","13.045","0.006","16.585","0.008","81.696","0.006","80.885","0.006","84.254","0.006","2214","1.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C52 H52 Ni P4 -","- C52 H52 Ni P4 -","- C104 H104 Ni2 P8 -","2","1","","Haibach, Michael C.; Ickes, Andrew R.; Tcyrulnikov, Sergei; Shekhar, Shashank; Monfette, Sebastien; Swiatowiec, Rafal; Kotecki, Brian J.; Wang, Jason; Wall, Amanda L.; Henry, Rodger F.; Hansen, Eric C.","Enabling Suzuki-Miyaura coupling of Lewis-basic arylboronic esters with a nonprecious metal catalyst.","Chemical science","2022","13","43","12906","12912","10.1039/d2sc03877c","","","0.71073","MoKα","","0.1285","0.1119","","","0.3004","0.3129","","","","","","0.953","","","","has coordinates","280171","2023-01-06","09:35:58",""
"1567878","9.345","0.008","15.097","0.013","9.749","0.008","90","","113.171","0.01","90","","1264.5","1.9","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 Cl2 Ni P2 -","- C26 H26 Cl2 Ni P2 -","- C52 H52 Cl4 Ni2 P4 -","2","0.5","","Haibach, Michael C.; Ickes, Andrew R.; Tcyrulnikov, Sergei; Shekhar, Shashank; Monfette, Sebastien; Swiatowiec, Rafal; Kotecki, Brian J.; Wang, Jason; Wall, Amanda L.; Henry, Rodger F.; Hansen, Eric C.","Enabling Suzuki-Miyaura coupling of Lewis-basic arylboronic esters with a nonprecious metal catalyst.","Chemical science","2022","13","43","12906","12912","10.1039/d2sc03877c","","","0.71073","MoKα","","0.0364","0.0299","","","0.065","0.0673","","","","","","1.049","","","","has coordinates","280171","2023-01-06","09:35:59",""
"1567882","20.902","0.0001","20.902","0.0001","20.902","0.0001","90","","90","","90","","9131.95","0.08","273.15","","273.15","","","","","","","","","4","P -4 3 m","P -4 2 3","215","","NU-1306","","- C87 H48 O32 U4 -","- C87 H48 O32 U4 -","- C87 H48 O32 U4 -","1","0.0416667","","Hanna, Sylvia L.; Debela, Tekalign T.; Mroz, Austin M.; Syed, Zoha H.; Kirlikovali, Kent O.; Hendon, Christopher H.; Farha, Omar K.","Identification of a metastable uranium metal-organic framework isomer through non-equilibrium synthesis.","Chemical science","2022","13","44","13032","13039","10.1039/d2sc04783g","","","1.54178","CuKα","","0.0695","0.0668","","","0.1786","0.1825","","","","","","1.114","","","","has coordinates","280164","2023-01-06","09:34:24",""
"1567883","12.7371","0.0003","14.2679","0.0004","22.1844","0.0006","101.261","0.002","93.525","0.002","116.025","0.002","3503.18","0.18","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C81 H76 B2 Cl2 Dy N7 O -","- C81 H76 B2 Cl2 Dy N7 O -","- C162 H152 B4 Cl4 Dy2 N14 O2 -","2","1","","Zhang, Ben; Cheng, Zhijie; Wu, Yingying; Chen, Lei; Jing, Rong; Cai, Xingwei; Jiang, Chunhui; Zhang, Yi-Quan; Yuan, Aihua; Cui, Hui-Hui; Li, Zhao-Yang","Pseudo-mono-axial ligand fields that support high energy barriers in triangular dodecahedral Dy(iii) single-ion magnets.","Chemical science","2022","13","44","13231","13240","10.1039/d2sc03182e","","","0.71073","MoKα","","0.0913","0.0573","","","0.1483","0.1688","","","","","","0.897","","","","has coordinates","280160","2023-01-06","09:33:27",""
"1567884","14.0388","0.0002","14.481","0.0002","21.4518","0.0003","91.27","0.001","97.279","0.001","111.868","0.001","4003.23","0.1","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C86 H78 B2 Cl2 Dy N7 O -","- C86 H78 B2 Cl2 Dy N7 O -","- C172 H156 B4 Cl4 Dy2 N14 O2 -","2","1","","Zhang, Ben; Cheng, Zhijie; Wu, Yingying; Chen, Lei; Jing, Rong; Cai, Xingwei; Jiang, Chunhui; Zhang, Yi-Quan; Yuan, Aihua; Cui, Hui-Hui; Li, Zhao-Yang","Pseudo-mono-axial ligand fields that support high energy barriers in triangular dodecahedral Dy(iii) single-ion magnets.","Chemical science","2022","13","44","13231","13240","10.1039/d2sc03182e","","","0.71073","MoKα","","0.0707","0.047","","","0.1071","0.1173","","","","","","1.075","","","","has coordinates","280160","2023-01-06","09:33:28",""
"1567885","23.6641","0.0007","14.1103","0.0004","21.3612","0.0006","90","","96.266","0.002","90","","7090.1","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C79 H71 B2 Cl Dy N7 -","- C79 H71 B2 Cl Dy N7 -","- C316 H284 B8 Cl4 Dy4 N28 -","4","1","","Zhang, Ben; Cheng, Zhijie; Wu, Yingying; Chen, Lei; Jing, Rong; Cai, Xingwei; Jiang, Chunhui; Zhang, Yi-Quan; Yuan, Aihua; Cui, Hui-Hui; Li, Zhao-Yang","Pseudo-mono-axial ligand fields that support high energy barriers in triangular dodecahedral Dy(iii) single-ion magnets.","Chemical science","2022","13","44","13231","13240","10.1039/d2sc03182e","","","0.71073","MoKα","","0.1654","0.0598","","","0.0697","0.0842","","","","","","0.986","","","","has coordinates","280160","2023-01-06","09:33:28",""
"1567894","26.1224","0.0008","8.3077","0.0003","18.9832","0.0006","90","","106.476","0.002","90","","3950.5","0.2","200","2","200","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","CzDBA","9,10-bis(4-(9H-carbazol-9-yl)-2,6-dimethylphenyl)-9,10-diboraanthracene","","- C52 H40 B2 N2 -","- C52 H40 B2 N2 -","- C208 H160 B8 N8 -","4","0.5","","Wu, Tien-Lin; Lei, Jian; Hsieh, Chia-Min; Chen, Yi-Kuan; Huang, Pei-Yun; Lai, Po-Ting; Chou, Tsu-Yu; Lin, Wei-Chen; Chen, Wei; Yu, Chi-Hua; Hsu, Liang-Yan; Lin, Hao-Wu; Cheng, Chien-Hong","Substituent engineering of the diboron molecular architecture for a nondoped and ultrathin emitting layer.","Chemical science","2022","13","44","12996","13005","10.1039/d2sc04725j","","","0.71073","MoKα","","0.0782","0.0558","","","0.1639","0.1786","","","","","","1.018","","","","has coordinates","280166","2023-01-06","09:34:53",""
"1567895","27.7304","0.0012","9.0103","0.0004","18.61","0.0008","90","","98.171","0.002","90","","4602.7","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","iCzDBA","5,10-bis(4-(9H-carbazol-9-yl)-2,6-diisopropylphenyl)-5,10-diboranthrene","","- C60 H56 B2 N2 -","- C60 H56 B2 N2 -","- C240 H224 B8 N8 -","4","1","","Wu, Tien-Lin; Lei, Jian; Hsieh, Chia-Min; Chen, Yi-Kuan; Huang, Pei-Yun; Lai, Po-Ting; Chou, Tsu-Yu; Lin, Wei-Chen; Chen, Wei; Yu, Chi-Hua; Hsu, Liang-Yan; Lin, Hao-Wu; Cheng, Chien-Hong","Substituent engineering of the diboron molecular architecture for a nondoped and ultrathin emitting layer.","Chemical science","2022","13","44","12996","13005","10.1039/d2sc04725j","","","1.54178","CuKα","","0.0404","0.0381","","","0.0961","0.0981","","","","","","1.026","","","","has coordinates","280166","2023-01-06","09:34:53",""
"1567896","9.5981","0.0005","11.916","0.0005","25.0597","0.0011","85.521","0.002","89.469","0.002","89.876","0.002","2857.2","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","tBuCzDBA","5,10-bis(4-(3,6-di-tert-butyl-9H-carbazol-9-yl)-2,6-dimethylphenyl)-5,10-diboranthrene","","- C68 H72 B2 N2 -","- C68 H72 B2 N2 -","- C136 H144 B4 N4 -","2","1","","Wu, Tien-Lin; Lei, Jian; Hsieh, Chia-Min; Chen, Yi-Kuan; Huang, Pei-Yun; Lai, Po-Ting; Chou, Tsu-Yu; Lin, Wei-Chen; Chen, Wei; Yu, Chi-Hua; Hsu, Liang-Yan; Lin, Hao-Wu; Cheng, Chien-Hong","Substituent engineering of the diboron molecular architecture for a nondoped and ultrathin emitting layer.","Chemical science","2022","13","44","12996","13005","10.1039/d2sc04725j","","","0.71073","MoKα","","0.1122","0.0679","","","0.1756","0.2002","","","","","","1.044","","","","has coordinates,has disorder","280166","2023-01-06","09:34:53",""
"1567901","25.3169","0.0018","15.0051","0.0011","19.9071","0.0015","90","","94.325","0.003","90","","7540.8","1","120","2","120","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C132 H56 N4 Ni Th -","- C132 H56 N4 Ni Th0.999 -","- C528 H224 N16 Ni4 Th3.996 -","4","0.5","","Shen, Yi; Yu, Xiaojuan; Meng, Qingyu; Yao, Yang-Rong; Autschbach, Jochen; Chen, Ning","ThC<sub>2</sub>@C<sub>82</sub> <i>versus</i> Th@C<sub>84</sub>: unexpected formation of triangular thorium carbide cluster inside fullerenes.","Chemical science","2022","13","44","12980","12986","10.1039/d2sc04846a","","","1.34138","GaKα","","0.0782","0.0567","","","0.1366","0.1474","","","","","","1.03","","","","has coordinates,has disorder","280163","2023-01-06","09:34:08",""
"1567902","25.261","0.002","14.9722","0.0011","19.9879","0.0017","90","","94.646","0.004","90","","7534.8","1","120","2","120","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C132 H56 N4 Ni Th -","- C132 H56 N4 Ni Th1.001 -","- C528 H224 N16 Ni4 Th4.004 -","4","0.5","","Shen, Yi; Yu, Xiaojuan; Meng, Qingyu; Yao, Yang-Rong; Autschbach, Jochen; Chen, Ning","ThC<sub>2</sub>@C<sub>82</sub> <i>versus</i> Th@C<sub>84</sub>: unexpected formation of triangular thorium carbide cluster inside fullerenes.","Chemical science","2022","13","44","12980","12986","10.1039/d2sc04846a","","","1.34138","GaKα","","0.0914","0.0773","","","0.2098","0.223","","","","","","1.061","","","","has coordinates,has disorder","280163","2023-01-06","09:34:10",""