# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-03T02:12:15+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 = 12 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
"1559358","14.5132","0.0006","21.9543","0.0009","12.9943","0.0006","90","","94.23","0.004","90","","4129.1","0.3","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C55 H40 Cl2 O2 -","- C55 H40 Cl2 O2 -","- C220 H160 Cl8 O8 -","4","1","","Mamada, Masashi; Nakamura, Ryota; Adachi, Chihaya","Synthesis, crystal structure and charge transport characteristics of stable <i>peri</i>-tetracene analogues.","Chemical science","2020","12","2","552","558","10.1039/d0sc04699j","","x-ray","0.71073","MoKα","","0.069","0.048","","","0.1278","0.1397","","","","","","1.063","","","","has coordinates","277994","2022-09-20","08:32:41",""
"1559359","11.6467","0.0003","13.896","0.0004","16.8565","0.0004","92.613","0.002","102.408","0.002","104.007","0.002","2571.41","0.12","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C65 H58 Cl2 Si2 -","- C65 H58 Cl2 Si2 -","- C130 H116 Cl4 Si4 -","2","1","","Mamada, Masashi; Nakamura, Ryota; Adachi, Chihaya","Synthesis, crystal structure and charge transport characteristics of stable <i>peri</i>-tetracene analogues.","Chemical science","2020","12","2","552","558","10.1039/d0sc04699j","","x-ray","0.71073","MoKα","","0.0568","0.0464","","","0.1257","0.1329","","","","","","1.064","","","","has coordinates","267074","2021-07-05","16:51:36",""
"1559386","12.586","0.0002","15.1416","0.0002","13.4977","0.0002","90","","97.253","0.001","90","","2551.7","0.07","199.99","0.1","199.99","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H24 B F4 N -","- C32 H24 B F4 N -","- C128 H96 B4 F16 N4 -","4","1","","Li, Qiyao; Gong, Junyi; Li, Ying; Zhang, Ruoyao; Wang, Haoran; Zhang, Jianquan; Yan, He; Lam, Jacky W. Y.; Sung, Herman H. Y.; Williams, Ian D.; Kwok, Ryan T. K.; Li, Min-Hui; Wang, Jianguo; Tang, Ben Zhong","Unusual light-driven amplification through unexpected regioselective photogeneration of five-membered azaheterocyclic AIEgen.","Chemical science","2020","12","2","709","717","10.1039/d0sc04725b","","x-ray","1.54184","CuKα","","0.0515","0.0416","","","0.1063","0.1105","","","","","","1.026","","","","has coordinates","267075","2021-07-05","16:51:50",""
"1559387","11.07767","0.0002","21.641","0.0004","13.7711","0.0003","90","","101.839","0.0018","90","","3231.15","0.11","100","2","100.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H22 B Cl6 F4 N -","- C33 H22 B Cl6 F4 N -","- C132 H88 B4 Cl24 F16 N4 -","4","1","","Li, Qiyao; Gong, Junyi; Li, Ying; Zhang, Ruoyao; Wang, Haoran; Zhang, Jianquan; Yan, He; Lam, Jacky W. Y.; Sung, Herman H. Y.; Williams, Ian D.; Kwok, Ryan T. K.; Li, Min-Hui; Wang, Jianguo; Tang, Ben Zhong","Unusual light-driven amplification through unexpected regioselective photogeneration of five-membered azaheterocyclic AIEgen.","Chemical science","2020","12","2","709","717","10.1039/d0sc04725b","","","1.54184","CuKα","","0.0848","0.0695","","","0.183","0.1947","","","","","","1.074","","","","has coordinates","267075","2021-07-05","16:51:50",""
"1559388","8.5484","0.0005","11.4387","0.0006","13.608","0.0009","103.553","0.005","90.551","0.005","98.266","0.005","1278.84","0.14","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C31 H22 F6 N P -","- C31 H22 F6 N P -","- C62 H44 F12 N2 P2 -","2","1","","Li, Qiyao; Gong, Junyi; Li, Ying; Zhang, Ruoyao; Wang, Haoran; Zhang, Jianquan; Yan, He; Lam, Jacky W. Y.; Sung, Herman H. Y.; Williams, Ian D.; Kwok, Ryan T. K.; Li, Min-Hui; Wang, Jianguo; Tang, Ben Zhong","Unusual light-driven amplification through unexpected regioselective photogeneration of five-membered azaheterocyclic AIEgen.","Chemical science","2020","12","2","709","717","10.1039/d0sc04725b","","x-ray","1.54184","CuKα","","0.0492","0.0362","","","0.0939","0.1006","","","","","","1.024","","","","has coordinates","267075","2021-07-05","16:51:50",""
"1559389","8.4537","0.0006","11.0248","0.0009","13.8145","0.001","108.087","0.007","95.552","0.006","99.64","0.006","1191.32","0.17","100.01","0.1","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H22 B F4 N -","- C31 H22 B F4 N -","- C62 H44 B2 F8 N2 -","2","1","","Li, Qiyao; Gong, Junyi; Li, Ying; Zhang, Ruoyao; Wang, Haoran; Zhang, Jianquan; Yan, He; Lam, Jacky W. Y.; Sung, Herman H. Y.; Williams, Ian D.; Kwok, Ryan T. K.; Li, Min-Hui; Wang, Jianguo; Tang, Ben Zhong","Unusual light-driven amplification through unexpected regioselective photogeneration of five-membered azaheterocyclic AIEgen.","Chemical science","2020","12","2","709","717","10.1039/d0sc04725b","","","1.54184","CuKα","","0.0491","0.0365","","","0.0898","0.0957","","","","","","1.007","","","","has coordinates","267075","2021-07-05","16:51:50",""
"1559390","15.62776","0.00016","16.52398","0.00016","18.67576","0.00019","90","","90","","90","","4822.69","0.08","100.01","0.1","100.01","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H22 B F4 N -","- C32 H22 B F4 N -","- C256 H176 B8 F32 N8 -","8","1","","Li, Qiyao; Gong, Junyi; Li, Ying; Zhang, Ruoyao; Wang, Haoran; Zhang, Jianquan; Yan, He; Lam, Jacky W. Y.; Sung, Herman H. Y.; Williams, Ian D.; Kwok, Ryan T. K.; Li, Min-Hui; Wang, Jianguo; Tang, Ben Zhong","Unusual light-driven amplification through unexpected regioselective photogeneration of five-membered azaheterocyclic AIEgen.","Chemical science","2020","12","2","709","717","10.1039/d0sc04725b","","x-ray","1.54184","CuKα","","0.0471","0.0402","","","0.1102","0.1153","","","","","","1.02","","","","has coordinates","267075","2021-07-05","16:51:50",""
"1559577","10.5714","0.0003","18.1828","0.0006","20.589","0.0009","72.838","0.003","89.216","0.003","74.717","0.003","3638.8","0.2","93.15","","93.15","","","","","","","","","5","P -1","-P 1","2","","","","- C41 H50 Au B N2 -","- C41 H50 Au B N2 -","- C164 H200 Au4 B4 N8 -","4","2","","Suzuki, Akane; Guo, Xueying; Lin, Zhenyang; Yamashita, Makoto","Nucleophilic reactivity of the gold atom in a diarylborylgold(i) complex toward polar multiple bonds.","Chemical science","2020","12","3","917","928","10.1039/d0sc05478j","","x-ray","0.71073","MoKα","","0.0547","0.0431","","","0.123","0.1313","","","","","","1.054","","","","has coordinates,has disorder","267095","2021-07-05","16:58:05",""
"1559578","11.951","0.0003","12.9306","0.0003","18.7852","0.0006","96.941","0.002","104.913","0.003","104.703","0.002","2658.95","0.14","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H70 Au B N4 -","- C60 H70 Au B N4 -","- C120 H140 Au2 B2 N8 -","2","1","","Suzuki, Akane; Guo, Xueying; Lin, Zhenyang; Yamashita, Makoto","Nucleophilic reactivity of the gold atom in a diarylborylgold(i) complex toward polar multiple bonds.","Chemical science","2020","12","3","917","928","10.1039/d0sc05478j","","x-ray","0.71073","MoKα","","0.0801","0.045","","","0.0948","0.1037","","","","","","0.988","","","","has coordinates,has disorder","267095","2021-07-05","16:58:05",""
"1559579","14.021","0.0002","17.7771","0.0003","17.7051","0.0003","90","","97.0981","0.0015","90","","4379.22","0.12","93","2","93","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C48 H60 Au B N4 -","- C48 H60 Au B N4 -","- C192 H240 Au4 B4 N16 -","4","1","","Suzuki, Akane; Guo, Xueying; Lin, Zhenyang; Yamashita, Makoto","Nucleophilic reactivity of the gold atom in a diarylborylgold(i) complex toward polar multiple bonds.","Chemical science","2020","12","3","917","928","10.1039/d0sc05478j","","x-ray","0.71073","MoKα","","0.0219","0.0195","","","0.042","0.0426","","","","","","1.043","","","","has coordinates","267095","2021-07-05","16:58:05",""
"1559580","12.3065","0.0001","17.99","0.0002","20.3257","0.0002","83.34","0.001","79.742","0.001","83.084","0.001","4375.21","0.08","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H59 Au B N3 -","- C50 H59 Au B N3 -","- C200 H236 Au4 B4 N12 -","4","2","","Suzuki, Akane; Guo, Xueying; Lin, Zhenyang; Yamashita, Makoto","Nucleophilic reactivity of the gold atom in a diarylborylgold(i) complex toward polar multiple bonds.","Chemical science","2020","12","3","917","928","10.1039/d0sc05478j","","x-ray","0.71073","MoKα","","0.052","0.0317","","","0.0559","0.0595","","","","","","1.001","","","","has coordinates","267095","2021-07-05","16:58:05",""
"1559581","11.5634","0.0003","12.8016","0.0004","18.2287","0.0005","86.266","0.002","72.324","0.002","83.521","0.002","2553.22","0.13","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C59 H68 Au B N4 -","- C59 H68 Au B N4 -","- C118 H136 Au2 B2 N8 -","2","1","","Suzuki, Akane; Guo, Xueying; Lin, Zhenyang; Yamashita, Makoto","Nucleophilic reactivity of the gold atom in a diarylborylgold(i) complex toward polar multiple bonds.","Chemical science","2020","12","3","917","928","10.1039/d0sc05478j","","x-ray","0.71073","MoKα","","0.0382","0.0287","","","0.0561","0.058","","","","","","1.022","","","","has coordinates","267095","2021-07-05","16:58:05",""
"1559582","10.7485","0.0002","22.6769","0.0004","19.5737","0.0004","90","","104.387","0.0019","90","","4621.34","0.16","93","2","93","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C102 H122 Au2 B2 Cl2 F2 N4 O2 -","- C102 H122 Au2 B2 Cl2 F2 N4 O2 -","- C204 H244 Au4 B4 Cl4 F4 N8 O4 -","2","0.5","","Suzuki, Akane; Guo, Xueying; Lin, Zhenyang; Yamashita, Makoto","Nucleophilic reactivity of the gold atom in a diarylborylgold(i) complex toward polar multiple bonds.","Chemical science","2020","12","3","917","928","10.1039/d0sc05478j","","x-ray","0.71073","MoKα","","0.0345","0.0267","","","0.0557","0.0577","","","","","","1.051","","","","has coordinates,has disorder","267095","2021-07-05","16:58:05",""
"1559583","12.3058","0.0004","26.0004","0.0006","16.284","0.0003","90","","100.267","0.002","90","","5126.7","0.2","93","2","93","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C54 H72 Au B N4 -","- C54 H72 Au B N4 -","- C216 H288 Au4 B4 N16 -","4","0.5","","Suzuki, Akane; Guo, Xueying; Lin, Zhenyang; Yamashita, Makoto","Nucleophilic reactivity of the gold atom in a diarylborylgold(i) complex toward polar multiple bonds.","Chemical science","2020","12","3","917","928","10.1039/d0sc05478j","","x-ray","0.71073","MoKα","","0.0507","0.0411","","","0.0857","0.0887","","","","","","1.053","","","","has coordinates","267095","2021-07-05","16:58:05",""
"1559584","10.7603","0.0004","11.6039","0.0004","19.3138","0.0006","72.527","0.003","85.454","0.003","66.378","0.003","2105.21","0.14","213","2","213","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H55 Au B N3 -","- C46 H55 Au B N3 -","- C92 H110 Au2 B2 N6 -","2","1","","Suzuki, Akane; Guo, Xueying; Lin, Zhenyang; Yamashita, Makoto","Nucleophilic reactivity of the gold atom in a diarylborylgold(i) complex toward polar multiple bonds.","Chemical science","2020","12","3","917","928","10.1039/d0sc05478j","","x-ray","0.71073","MoKα","","0.051","0.0329","","","0.0614","0.0651","","","","","","0.968","","","","has coordinates","267095","2021-07-05","16:58:05",""
"1559585","11.8822","0.0004","12.58","0.0002","17.5818","0.0005","99.538","0.002","106.748","0.003","103.924","0.002","2363.27","0.13","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H62 Au B N2 O -","- C54 H62 Au B N2 O -","- C108 H124 Au2 B2 N4 O2 -","2","1","","Suzuki, Akane; Guo, Xueying; Lin, Zhenyang; Yamashita, Makoto","Nucleophilic reactivity of the gold atom in a diarylborylgold(i) complex toward polar multiple bonds.","Chemical science","2020","12","3","917","928","10.1039/d0sc05478j","","x-ray","0.71073","MoKα","","0.0412","0.0336","","","0.0827","0.0857","","","","","","1.057","","","","has coordinates","267095","2021-07-05","16:58:05",""
"1559586","13.6039","0.0002","23.0648","0.0003","18.7378","0.0003","90","","105.489","0.002","90","","5665.85","0.15","93","2","93","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C63 H78 Au B N4 O -","- C63 H78 Au B N4 O -","- C252 H312 Au4 B4 N16 O4 -","4","1","","Suzuki, Akane; Guo, Xueying; Lin, Zhenyang; Yamashita, Makoto","Nucleophilic reactivity of the gold atom in a diarylborylgold(i) complex toward polar multiple bonds.","Chemical science","2020","12","3","917","928","10.1039/d0sc05478j","","x-ray","0.71073","MoKα","","0.0543","0.0344","","","0.0631","0.0675","","","","","","1.014","","","","has coordinates","267095","2021-07-05","16:58:05",""
"1559587","18.4407","0.0004","23.6412","0.0005","21.238","0.0005","90","","90","","90","","9258.9","0.4","93","2","93","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C54 H60 Au B N2 O -","- C54 H60 Au B N2 O -","- C432 H480 Au8 B8 N16 O8 -","8","1","","Suzuki, Akane; Guo, Xueying; Lin, Zhenyang; Yamashita, Makoto","Nucleophilic reactivity of the gold atom in a diarylborylgold(i) complex toward polar multiple bonds.","Chemical science","2020","12","3","917","928","10.1039/d0sc05478j","","x-ray","0.71073","MoKα","","0.0482","0.0303","","","0.053","0.057","","","","","","1.021","","","","has coordinates","267095","2021-07-05","16:58:05",""
"1559588","10.4618","0.0002","11.5106","0.0003","10.467","0.0002","90","","95.605","0.002","90","","1254.43","0.05","290","","290","","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C22 H13 Au2 Fe N7 O2 -","- C22 H13 Au2 Fe N7 O2 -","- C44 H26 Au4 Fe2 N14 O4 -","2","0.5","","Piñeiro-López, Lucía; Valverde-Muñoz, Francisco-Javier; Trzop, Elzbieta; Muñoz, M Carmen; Seredyuk, Maksym; Castells-Gil, Javier; da Silva, Iván; Martí-Gastaldo, Carlos; Collet, Eric; Real, José Antonio","Guest induced reversible on-off switching of elastic frustration in a 3D spin crossover coordination polymer with room temperature hysteretic behaviour.","Chemical science","2020","12","4","1317","1326","10.1039/d0sc04420b","","x-ray","0.71073","MoKα","","0.0324","0.0247","","","0.0543","0.0571","","","","","","1.026","","","","has coordinates,has disorder","267062","2021-07-05","16:48:46",""
"1559589","12.0682","0.0004","16.9687","0.0004","11.4632","0.0003","90","","94.888","0.004","90","","2338.92","0.11","298","","298","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","DJV-444-desolv","- C16 H8 Au2 Fe N6 -","- C16 H8 Au2 Fe N6 -","- C64 H32 Au8 Fe4 N24 -","4","0.5","","Piñeiro-López, Lucía; Valverde-Muñoz, Francisco-Javier; Trzop, Elzbieta; Muñoz, M Carmen; Seredyuk, Maksym; Castells-Gil, Javier; da Silva, Iván; Martí-Gastaldo, Carlos; Collet, Eric; Real, José Antonio","Guest induced reversible on-off switching of elastic frustration in a 3D spin crossover coordination polymer with room temperature hysteretic behaviour.","Chemical science","2020","12","4","1317","1326","10.1039/d0sc04420b","powder diffraction","","1.5406","CuKα~1~","","1.72335","","","","","","","","2.06458","","","","","","","has coordinates","267062","2021-07-05","16:48:46",""
"1559590","10.2342","0.0007","11.269","0.0008","10.2384","0.0007","90","0.006","92.665","0.005","90","0.006","1179.51","0.14","206","","206","","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C22 H13 Au2 Fe N7 O2 -","- C22 H13 Au2 Fe N7 O2 -","- C44 H26 Au4 Fe2 N14 O4 -","2","0.5","","Piñeiro-López, Lucía; Valverde-Muñoz, Francisco-Javier; Trzop, Elzbieta; Muñoz, M Carmen; Seredyuk, Maksym; Castells-Gil, Javier; da Silva, Iván; Martí-Gastaldo, Carlos; Collet, Eric; Real, José Antonio","Guest induced reversible on-off switching of elastic frustration in a 3D spin crossover coordination polymer with room temperature hysteretic behaviour.","Chemical science","2020","12","4","1317","1326","10.1039/d0sc04420b","","x-ray","0.71073","MoKα","","0.1618","0.0416","","","0.0487","0.0706","","","","1.55","1.55","1.18","","","","has coordinates","267062","2021-07-05","16:48:46",""
"1559591","10.1143","0.0003","11.1281","0.0003","10.1146","0.0004","90","","91.745","0.003","90","","1137.9","0.06","15","","15","","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C22 H13 Au2 Fe N7 O2 -","- C22 H13 Au2 Fe N7 O2 -","- C44 H26 Au4 Fe2 N14 O4 -","2","0.5","","Piñeiro-López, Lucía; Valverde-Muñoz, Francisco-Javier; Trzop, Elzbieta; Muñoz, M Carmen; Seredyuk, Maksym; Castells-Gil, Javier; da Silva, Iván; Martí-Gastaldo, Carlos; Collet, Eric; Real, José Antonio","Guest induced reversible on-off switching of elastic frustration in a 3D spin crossover coordination polymer with room temperature hysteretic behaviour.","Chemical science","2020","12","4","1317","1326","10.1039/d0sc04420b","","x-ray","0.71073","MoKα","","0.0587","0.037","","","0.0808","0.0913","","","","","","1.057","","","","has coordinates,has disorder","267062","2021-07-05","16:48:46",""
"1559592","10.3534","0.0003","11.3911","0.0003","10.3639","0.0003","90","","93.954","0.003","90","","1219.37","0.06","250","","250","","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C22 H13 Au2 Fe N7 O2 -","- C22 H13 Au2 Fe N7 O2 -","- C44 H26 Au4 Fe2 N14 O4 -","2","0.5","","Piñeiro-López, Lucía; Valverde-Muñoz, Francisco-Javier; Trzop, Elzbieta; Muñoz, M Carmen; Seredyuk, Maksym; Castells-Gil, Javier; da Silva, Iván; Martí-Gastaldo, Carlos; Collet, Eric; Real, José Antonio","Guest induced reversible on-off switching of elastic frustration in a 3D spin crossover coordination polymer with room temperature hysteretic behaviour.","Chemical science","2020","12","4","1317","1326","10.1039/d0sc04420b","","x-ray","0.71073","MoKα","","0.0441","0.0287","","","0.0642","0.0707","","","","","","1.061","","","","has coordinates,has disorder","267062","2021-07-05","16:48:46",""
"1559593","14.1982","0.0002","22.6765","0.0003","14.9567","0.0002","90","","90.0258","0.0013","90","","4815.54","0.11","228","","228","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C22 H13 Au2 Fe N7 O2 -","- C22 H13 Au2 Fe N7 O2 -","- C176 H104 Au16 Fe8 N56 O16 -","8","1","","Piñeiro-López, Lucía; Valverde-Muñoz, Francisco-Javier; Trzop, Elzbieta; Muñoz, M Carmen; Seredyuk, Maksym; Castells-Gil, Javier; da Silva, Iván; Martí-Gastaldo, Carlos; Collet, Eric; Real, José Antonio","Guest induced reversible on-off switching of elastic frustration in a 3D spin crossover coordination polymer with room temperature hysteretic behaviour.","Chemical science","2020","12","4","1317","1326","10.1039/d0sc04420b","","x-ray","0.71073","MoKα","","0.048","0.03","","","0.0691","0.0779","","","","","","1.033","","","","has coordinates,has disorder","267062","2021-07-05","16:48:46",""
"1559594","10.115","0.0002","11.1318","0.0002","10.1239","0.0002","90","","91.852","0.002","90","","1139.34","0.04","140","","140","","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C22 H13 Au2 Fe N7 O2 -","- C22 H13 Au2 Fe N7 O2 -","- C44 H26 Au4 Fe2 N14 O4 -","2","0.5","","Piñeiro-López, Lucía; Valverde-Muñoz, Francisco-Javier; Trzop, Elzbieta; Muñoz, M Carmen; Seredyuk, Maksym; Castells-Gil, Javier; da Silva, Iván; Martí-Gastaldo, Carlos; Collet, Eric; Real, José Antonio","Guest induced reversible on-off switching of elastic frustration in a 3D spin crossover coordination polymer with room temperature hysteretic behaviour.","Chemical science","2020","12","4","1317","1326","10.1039/d0sc04420b","","x-ray","0.71073","MoKα","","0.0349","0.0272","","","0.0625","0.066","","","","","","1.072","","","","has coordinates,has disorder","267062","2021-07-05","16:48:46",""
"1559595","10.4523","0.0005","11.4885","0.0004","10.5004","0.0004","90","","93.379","0.004","90","","1258.71","0.09","15","","15","","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C22 H13 Au2 Fe N7 O2 -","- C22 H13 Au2 Fe N7 O2 -","- C44 H26 Au4 Fe2 N14 O4 -","2","0.5","","Piñeiro-López, Lucía; Valverde-Muñoz, Francisco-Javier; Trzop, Elzbieta; Muñoz, M Carmen; Seredyuk, Maksym; Castells-Gil, Javier; da Silva, Iván; Martí-Gastaldo, Carlos; Collet, Eric; Real, José Antonio","Guest induced reversible on-off switching of elastic frustration in a 3D spin crossover coordination polymer with room temperature hysteretic behaviour.","Chemical science","2020","12","4","1317","1326","10.1039/d0sc04420b","","x-ray","0.71073","MoKα","","0.0548","0.0359","","","0.0687","0.0775","","","","","","1.074","","","","has coordinates,has disorder","267062","2021-07-05","16:48:46",""
"1559596","12.6609","0.0005","23.0055","0.0009","12.7568","0.0005","90","","109.44","0.001","90","","3503.8","0.2","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H126 Ce2 O6 Si6 -","- C54 H126 Ce2 O6 Si6 -","- C108 H252 Ce4 O12 Si12 -","2","0.5","","Bayer, Uwe; Werner, Daniel; Berkefeld, Andreas; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Cerium-quinone redox couples put under scrutiny.","Chemical science","2020","12","4","1343","1351","10.1039/d0sc04489j","","","0.71073","MoKα","","0.0329","0.0256","","","0.0595","0.0631","","","","","","1.039","","","","has coordinates,has disorder","267066","2021-07-05","16:50:14",""
"1559597","10.868","0.0016","16.755","0.002","20.149","0.003","90","","90.235","0.004","90","","3669","0.9","150","","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H108 Ce2 Cl4 N6 O2 Si12 -","- C42 H108 Ce2 Cl4 N6 O2 Si12 -","- C84 H216 Ce4 Cl8 N12 O4 Si24 -","2","0.5","","Bayer, Uwe; Werner, Daniel; Berkefeld, Andreas; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Cerium-quinone redox couples put under scrutiny.","Chemical science","2020","12","4","1343","1351","10.1039/d0sc04489j","","","0.71073","MoKα","","0.0773","0.0488","","","0.0856","0.0949","","","","","","1.034","","","","has coordinates","267066","2021-07-05","16:50:14",""
"1559598","11.4339","0.0009","12.0881","0.001","17.5236","0.0014","83.3194","0.0013","71.7094","0.0012","63.9637","0.0011","2065.6","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C57 H136 Ce2 N6 O2 Si12 -","- C57 H136 Ce2 N6 O2 Si12 -","- C57 H136 Ce2 N6 O2 Si12 -","1","0.5","","Bayer, Uwe; Werner, Daniel; Berkefeld, Andreas; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Cerium-quinone redox couples put under scrutiny.","Chemical science","2020","12","4","1343","1351","10.1039/d0sc04489j","","","0.71073","MoKα","","0.0462","0.0316","","","0.0631","0.0677","","","","","","1.004","","","","has coordinates,has disorder","267066","2021-07-05","16:50:14",""
"1559599","11.859","0.0014","14.7713","0.0018","19.126","0.002","79.676","0.002","76.075","0.002","81.398","0.002","3179.3","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H84 Ce2 N8 O9 -","- C68 H84 Ce2 N8 O9 -","- C136 H168 Ce4 N16 O18 -","2","1","","Bayer, Uwe; Werner, Daniel; Berkefeld, Andreas; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Cerium-quinone redox couples put under scrutiny.","Chemical science","2020","12","4","1343","1351","10.1039/d0sc04489j","","","0.71073","MoKα","","0.0824","0.0442","","","0.0883","0.1024","","","","","","0.996","","","","has coordinates","267066","2021-07-05","16:50:14",""
"1559600","11.7195","0.0004","18.0849","0.0007","21.3488","0.0008","90","","95.3481","0.0015","90","","4505.1","0.3","100.15","","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C84 H142 Ce2 N12 O4 -","- C84 H142 Ce2 N12 O4 -","- C168 H284 Ce4 N24 O8 -","2","0.5","","Bayer, Uwe; Werner, Daniel; Berkefeld, Andreas; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Cerium-quinone redox couples put under scrutiny.","Chemical science","2020","12","4","1343","1351","10.1039/d0sc04489j","","","0.71073","MoKα","","0.0652","0.0417","","","0.0687","0.0749","","","","","","1.071","","","","has coordinates,has disorder","267066","2021-07-05","16:50:14",""
"1559601","18.228","0.005","17.588","0.004","28.531","0.007","90","","102.369","0.004","90","","8935","4","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C70 H142 Ce2 Cl2 N2 O10 Si6 -","- C70 H142 Ce2 Cl2 N2 O10 Si6 -","- C280 H568 Ce8 Cl8 N8 O40 Si24 -","4","0.5","","Bayer, Uwe; Werner, Daniel; Berkefeld, Andreas; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Cerium-quinone redox couples put under scrutiny.","Chemical science","2020","12","4","1343","1351","10.1039/d0sc04489j","","","0.71073","MoKα","","0.0544","0.0459","","","0.12","0.1268","","","","","","1.096","","","","has coordinates,has disorder","267066","2021-07-05","16:50:14",""
"1559602","11.29","0.04","22.03","0.07","17.25","0.07","90","","96.25","0.011","90","","4265","3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C72 H140 Ce2 O12 Si4 -","- C72 H140 Ce2 O12 Si4 -","- C144 H280 Ce4 O24 Si8 -","2","0.5","","Bayer, Uwe; Werner, Daniel; Berkefeld, Andreas; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Cerium-quinone redox couples put under scrutiny.","Chemical science","2020","12","4","1343","1351","10.1039/d0sc04489j","","","0.71073","MoKα","","0.0723","0.0502","","","0.0878","0.096","","","","","","1.1","","","","has coordinates","267066","2021-07-05","16:50:14",""
"1559603","24.8116","0.0011","21.794","0.001","17.4764","0.0008","90","","116.659","0.001","90","","8445.6","0.7","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C44 H108 Ce2 Cl2 N8 O2 Si12 -","- C44 H108 Ce2 Cl2 N8 O2 Si12 -","- C176 H432 Ce8 Cl8 N32 O8 Si48 -","4","0.5","","Bayer, Uwe; Werner, Daniel; Berkefeld, Andreas; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Cerium-quinone redox couples put under scrutiny.","Chemical science","2020","12","4","1343","1351","10.1039/d0sc04489j","","","0.71073","MoKα","","0.0382","0.0289","","","0.0647","0.0688","","","","","","1.037","","","","has coordinates,has disorder","267066","2021-07-05","16:50:14",""
"1559604","20.8578","0.001","24.2951","0.001","11.7354","0.0005","90","","94.4068","0.0011","90","","5929.2","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C100 H196 Ce2 O28 Si4 -","- C100 H196 Ce2 O28 Si4 -","- C200 H392 Ce4 O56 Si8 -","2","0.5","","Bayer, Uwe; Werner, Daniel; Berkefeld, Andreas; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Cerium-quinone redox couples put under scrutiny.","Chemical science","2020","12","4","1343","1351","10.1039/d0sc04489j","","","0.71073","MoKα","","0.1063","0.0539","","","0.0834","0.1005","","","","","","1.064","","","","has coordinates,has disorder","267066","2021-07-05","16:50:14",""
"1559605","24.645","0.006","22.211","0.006","17.381","0.004","90","","116.237","0.003","90","","8534","4","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C46 H120 Ce2 N6 O2 Si12 -","- C46 H120 Ce2 N6 O2 Si12 -","- C184 H480 Ce8 N24 O8 Si48 -","4","0.5","","Bayer, Uwe; Werner, Daniel; Berkefeld, Andreas; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Cerium-quinone redox couples put under scrutiny.","Chemical science","2020","12","4","1343","1351","10.1039/d0sc04489j","","","0.71073","MoKα","","0.1174","0.0625","","","0.1288","0.1511","","","","","","1.09","","","","has coordinates","267066","2021-07-05","16:50:14",""
"1559606","12.7863","0.0016","18.594","0.002","18.631","0.002","102.525","0.0019","90.9634","0.0018","93.3308","0.0018","4314.8","0.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C91 H103 Ce3 N18 O5 -","- C91 H103 Ce3 N18 O5 -","- C182 H206 Ce6 N36 O10 -","2","1","","Bayer, Uwe; Werner, Daniel; Berkefeld, Andreas; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Cerium-quinone redox couples put under scrutiny.","Chemical science","2020","12","4","1343","1351","10.1039/d0sc04489j","","","0.71073","MoKα","","0.0743","0.041","","","0.0671","0.0759","","","","","","0.968","","","","has coordinates,has disorder","267066","2021-07-05","16:50:14",""
"1559607","11.2124","0.001","12.5614","0.0011","34.289","0.003","90","","97.212","0.002","90","","4791.2","0.7","101","2","101","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C76 H158 Ce2 Cl4 O12 Si6 -","- C76 H158 Ce2 Cl4 O12 Si6 -","- C152 H316 Ce4 Cl8 O24 Si12 -","2","0.5","","Bayer, Uwe; Werner, Daniel; Berkefeld, Andreas; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Cerium-quinone redox couples put under scrutiny.","Chemical science","2020","12","4","1343","1351","10.1039/d0sc04489j","","","0.71073","MoKα","","0.0702","0.0403","","","0.0708","0.0801","","","","","","1.015","","","","has coordinates,has disorder","267066","2021-07-05","16:50:14",""
"1559608","11.655","0.002","12.402","0.002","17.499","0.003","92.596","0.003","93.946","0.003","114.855","0.003","2282","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C76 H162 Ce2 O10 Si6 -","- C76 H162 Ce2 O10 Si6 -","- C76 H162 Ce2 O10 Si6 -","1","0.5","","Bayer, Uwe; Werner, Daniel; Berkefeld, Andreas; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Cerium-quinone redox couples put under scrutiny.","Chemical science","2020","12","4","1343","1351","10.1039/d0sc04489j","","","0.71073","MoKα","","0.0573","0.0452","","","0.0883","0.0934","","","","","","1.027","","","","has coordinates","267066","2021-07-05","16:50:14",""
"1559609","13.7919","0.0011","14.0585","0.0012","20.0654","0.0016","71.904","0.002","81.904","0.002","60.636","0.002","3222.7","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C97.07 H204.13 Ce2 O30 Si6 -","- C97.05 H204.1 Ce2 O30 Si6 -","- C97.05 H204.1 Ce2 O30 Si6 -","1","0.5","","Bayer, Uwe; Werner, Daniel; Berkefeld, Andreas; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Cerium-quinone redox couples put under scrutiny.","Chemical science","2020","12","4","1343","1351","10.1039/d0sc04489j","","","0.71073","MoKα","","0.0327","0.0269","","","0.0649","0.0681","","","","","","1.021","","","","has coordinates,has disorder","267066","2021-07-05","16:50:14",""
"1559610","11.7272","0.0006","20.2947","0.001","21.6422","0.0011","90","","99.99","0.001","90","","5072.7","0.4","100","2","100","2","","","","","","","","8","P 1 2/n 1","-P 2yac","13","","","","- C66 H132 Ce2 Co2 D8 N6 O3 Si12 -","- C66 H132 Ce2 Co2 D8 N6 O3 Si12 -","- C132 H264 Ce4 Co4 D16 N12 O6 Si24 -","2","0.5","","Bayer, Uwe; Werner, Daniel; Berkefeld, Andreas; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Cerium-quinone redox couples put under scrutiny.","Chemical science","2020","12","4","1343","1351","10.1039/d0sc04489j","","","0.71073","MoKα","","0.0605","0.0395","","","0.0776","0.0863","","","","","","1.01","","","","has coordinates,has disorder","267066","2021-07-05","16:50:14",""
"1559611","22.1584","0.0019","41.418","0.004","13.425","0.0012","90","","90","","90","","12320.9","1.9","100","2","100","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C90 H186 Ce2 Cl4 O29 Si6 -","- C90 H186 Ce2 Cl4 O29 Si6 -","- C360 H744 Ce8 Cl16 O116 Si24 -","4","0.5","","Bayer, Uwe; Werner, Daniel; Berkefeld, Andreas; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Cerium-quinone redox couples put under scrutiny.","Chemical science","2020","12","4","1343","1351","10.1039/d0sc04489j","","","0.71073","MoKα","","0.0663","0.0527","","","0.1203","0.128","","","","","","1.108","","","","has coordinates,has disorder","267066","2021-07-05","16:50:14",""
"1559612","9.8347","0.0004","12.6226","0.0005","12.8064","0.0006","118.576","0.001","101.423","0.001","94.672","0.001","1339.49","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C62 H84 N2 O4 -","- C62 H84 N2 O4 -","- C62 H84 N2 O4 -","1","0.5","","Rausch, Rodger; Röhr, Merle I S; Schmidt, David; Krummenacher, Ivo; Braunschweig, Holger; Würthner, Frank","Tuning phenoxyl-substituted diketopyrrolopyrroles from quinoidal to biradical ground states through (hetero-)aromatic linkers.","Chemical science","2020","12","2","793","802","10.1039/d0sc05475e","","","1.54178","CuKα","","0.0492","0.0464","","","0.1195","0.122","","","","","","1.041","","","","has coordinates,has disorder","267071","2021-07-05","16:51:05",""
"1559613","15.3311","0.0016","23.844","0.003","15.4674","0.0016","90","","95.515","0.003","90","","5628","1.1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C60 H86 N2 O8 -","- C60 H86 N2 O8 -","- C240 H344 N8 O32 -","4","1","","Rausch, Rodger; Röhr, Merle I S; Schmidt, David; Krummenacher, Ivo; Braunschweig, Holger; Würthner, Frank","Tuning phenoxyl-substituted diketopyrrolopyrroles from quinoidal to biradical ground states through (hetero-)aromatic linkers.","Chemical science","2020","12","2","793","802","10.1039/d0sc05475e","","","0.71073","MoKα","","0.086","0.0591","","","0.1454","0.1599","","","","","","1.037","","","","has coordinates,has disorder","267071","2021-07-05","16:51:16",""
"1559615","17.0085","0.0011","9.896","0.0007","10.5439","0.0007","90","","92.8684","0.0019","90","","1772.5","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 N2 O3 S -","- C19 H22 N2 O3 S -","- C76 H88 N8 O12 S4 -","4","1","","Liang, Weida; Cai, Xinpei; Dai, Mingji","Cu-catalyzed hydroxycyclopropanol ring-opening cyclization to tetrahydrofurans and tetrahydropyrans: short total syntheses of hyperiones.","Chemical science","2020","12","4","1311","1316","10.1039/d0sc05556e","","","1.54178","CuKα","","0.0437","0.042","","","0.1221","0.1241","","","","","","1.193","","","","has coordinates,has disorder","267063","2021-07-05","16:48:54",""
"1559616","9.44906","0.00012","9.44906","0.00012","9.44906","0.00012","90","","90","","90","","843.657","0.019","298","","298","","","","","","","","","3","P 21 3","P 2ac 2ab 3","198","","","","- Bi K3 S3 -","- Bi K3 S3 -","- Bi4 K12 S12 -","4","0.333333","","McClain, Rebecca; Malliakas, Christos D.; Shen, Jiahong; He, Jiangang; Wolverton, Chris; González, Gabriela B; Kanatzidis, Mercouri G.","Mechanistic insight of KBiQ<sub>2</sub> (Q = S, Se) using panoramic synthesis towards synthesis-by-design.","Chemical science","2020","12","4","1378","1391","10.1039/d0sc04562d","powder diffraction","x-ray","1.54056","CuKα","","0.0635","0.0624","","0.0833","0.0832","","","","1.53","","","","","","","has coordinates","267065","2021-07-05","16:49:34",""
"1559617","4.128802","0.000013","4.128802","0.000013","22.09041","0.00012","90","","90","","120","","326.124","0.002","293","","293","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","","","- Bi K S2 -","- Bi K S2 -","- Bi3 K3 S6 -","3","0.0833333","","McClain, Rebecca; Malliakas, Christos D.; Shen, Jiahong; He, Jiangang; Wolverton, Chris; González, Gabriela B; Kanatzidis, Mercouri G.","Mechanistic insight of KBiQ<sub>2</sub> (Q = S, Se) using panoramic synthesis towards synthesis-by-design.","Chemical science","2020","12","4","1378","1391","10.1039/d0sc04562d","powder diffraction","x-ray","0.45777","Synchrotron","","0.0204","0.0204","","0.0249","0.0249","","","","1.23","","","","","","","has coordinates","267065","2021-07-05","16:49:34",""
"1559618","4.264423","0.000014","4.264423","0.000014","23.02901","0.00014","90","","90","","120","","362.682","0.003","298","","298","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","KBiSe2","","- Bi K Se2 -","- Bi K Se2 -","- Bi3 K3 Se6 -","3","0.0833333","","McClain, Rebecca; Malliakas, Christos D.; Shen, Jiahong; He, Jiangang; Wolverton, Chris; González, Gabriela B; Kanatzidis, Mercouri G.","Mechanistic insight of KBiQ<sub>2</sub> (Q = S, Se) using panoramic synthesis towards synthesis-by-design.","Chemical science","2020","12","4","1378","1391","10.1039/d0sc04562d","powder diffraction","x-ray","0.41283","Synchrotron","","0.0269","0.0263","","0.0287","0.0287","","","","1.1","","","","","","","has coordinates","267065","2021-07-05","16:49:34",""
"1559619","4.7962","0.0004","16.1392","0.0014","15.9437","0.0013","90","","90","","90","","1234.15","0.18","276","2","276","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 N O2 S -","- C14 H11 N O2 S -","- C56 H44 N4 O8 S4 -","4","1","","Chen, Pu; Nan, Jiang; Hu, Yan; Kang, Yifan; Wang, Bo; Ma, Yangmin; Szostak, Michal","Metal-free tandem carbene N-H insertions and C-C bond cleavages.","Chemical science","2020","12","2","803","811","10.1039/d0sc05763k","","","0.71073","MoKα","","0.2812","0.0749","","","0.0988","0.1368","","","","","","0.929","","","","has coordinates","267073","2021-07-05","16:51:28",""
"1559635","10.14023","0.00008","15.89219","0.0001","18.23835","0.00015","90","","105.522","0.0008","90","","2831.92","0.04","180.01","0.1","180.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H30 N4 O5 S -","- C31 H30 N4 O5 S -","- C124 H120 N16 O20 S4 -","4","1","","Guarnieri-Ibáñez, Alejandro; de Aguirre, Adiran; Besnard, Céline; Poblador-Bahamonde, Amalia I; Lacour, Jérôme","Regiodivergent synthesis of pyrazino-indolines <i>vs.</i> triazocines <i>via</i> α-imino carbenes addition to imidazolidines.","Chemical science","2020","12","4","1479","1485","10.1039/d0sc05725h","","x-ray","1.54184","CuKα","","0.0438","0.0409","","","0.1056","0.1083","","","","","","1.066","","","","has coordinates,has disorder","267068","2021-07-05","16:50:34",""
"1559636","18.90952","0.00014","10.14583","0.00006","28.4275","0.0002","90","","93.3559","0.0007","90","","5444.54","0.06","180","0.1","180","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C32 H33 N3 O2 S -","- C32 H33 N3 O2 S -","- C256 H264 N24 O16 S8 -","8","1","","Guarnieri-Ibáñez, Alejandro; de Aguirre, Adiran; Besnard, Céline; Poblador-Bahamonde, Amalia I; Lacour, Jérôme","Regiodivergent synthesis of pyrazino-indolines <i>vs.</i> triazocines <i>via</i> α-imino carbenes addition to imidazolidines.","Chemical science","2020","12","4","1479","1485","10.1039/d0sc05725h","","x-ray","1.54184","CuKα","","0.0372","0.0348","","","0.0905","0.0926","","","","","","1.071","","","","has coordinates,has disorder","267068","2021-07-05","16:50:34",""
"1559637","10.9678","0.0003","15.3212","0.0004","17.9064","0.0005","111.225","0.003","98.183","0.003","98.485","0.003","2710.92","0.15","180.01","0.1","180.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C32 H33 N3 O2 S -","- C32 H33 N3 O2 S -","- C128 H132 N12 O8 S4 -","4","2","","Guarnieri-Ibáñez, Alejandro; de Aguirre, Adiran; Besnard, Céline; Poblador-Bahamonde, Amalia I; Lacour, Jérôme","Regiodivergent synthesis of pyrazino-indolines <i>vs.</i> triazocines <i>via</i> α-imino carbenes addition to imidazolidines.","Chemical science","2020","12","4","1479","1485","10.1039/d0sc05725h","","x-ray","1.54184","CuKα","","0.048","0.0381","","","0.0989","0.1064","","","","","","1.034","","","","has coordinates","267068","2021-07-05","16:50:34",""
"1559638","18.50216","0.00012","21.27952","0.00014","10.92519","0.00007","90","","90","","90","","4301.43","0.05","149.99","0.1","149.99","0.1","","","","","","","","4","I b a 2","I 2 -2c","45","","","","- C26 H25 N3 O2 -","- C26 H25 N3 O2 -","- C208 H200 N24 O16 -","8","1","","Guarnieri-Ibáñez, Alejandro; de Aguirre, Adiran; Besnard, Céline; Poblador-Bahamonde, Amalia I; Lacour, Jérôme","Regiodivergent synthesis of pyrazino-indolines <i>vs.</i> triazocines <i>via</i> α-imino carbenes addition to imidazolidines.","Chemical science","2020","12","4","1479","1485","10.1039/d0sc05725h","","x-ray","1.54184","CuKα","","0.0289","0.028","","","0.0713","0.072","","","","","","1.048","","","","has coordinates,has disorder","267068","2021-07-05","16:50:34",""
"1559639","21.3021","0.001","7.7181","0.0004","23.5444","0.0012","90","","90","","90","","3871","0.3","180.01","0.1","180.01","0.1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C25 H24 N2 -","- C25 H24 N2 -","- C200 H192 N16 -","8","1","","Guarnieri-Ibáñez, Alejandro; de Aguirre, Adiran; Besnard, Céline; Poblador-Bahamonde, Amalia I; Lacour, Jérôme","Regiodivergent synthesis of pyrazino-indolines <i>vs.</i> triazocines <i>via</i> α-imino carbenes addition to imidazolidines.","Chemical science","2020","12","4","1479","1485","10.1039/d0sc05725h","","x-ray","1.54184","CuKα","","0.0881","0.0549","","","0.1293","0.1547","","","","","","1.027","","","","has coordinates","267068","2021-07-05","16:50:34",""
"1559640","9.2787","0.0005","14.567","0.0009","28.3208","0.0018","90","","96.297","0.002","90","","3804.8","0.4","170","","170","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H33 Cl2 N O -","- C52 H33 Cl2 N O -","- C208 H132 Cl8 N4 O4 -","4","1","","Wu, Lin; Wang, Kai; Wang, Cheng; Fan, Xiao-Chun; Shi, Yi-Zhong; Zhang, Xiang; Zhang, Shao-Li; Ye, Jun; Zheng, Cai-Jun; Li, Yan-Qing; Yu, Jia; Ou, Xue-Mei; Zhang, Xiao-Hong","Using fluorene to lock electronically active moieties in thermally activated delayed fluorescence emitters for high-performance non-doped organic light-emitting diodes with suppressed roll-off.","Chemical science","2020","12","4","1495","1502","10.1039/d0sc05631f","","","0.71073","MoKα","","0.1699","0.0875","","","0.2025","0.2503","","","","","","1.018","","","","has coordinates","267064","2021-07-05","16:49:03",""
"1559641","12.0934","0.0006","13.1272","0.0007","13.4509","0.0007","118.019","0.001","90.255","0.002","105.741","0.002","1792.4","0.16","298","","298","","","","","","","","","4","P -1","-P 1","2","","","","- C51 H33 N O -","- C51 H33 N O -","- C102 H66 N2 O2 -","2","1","","Wu, Lin; Wang, Kai; Wang, Cheng; Fan, Xiao-Chun; Shi, Yi-Zhong; Zhang, Xiang; Zhang, Shao-Li; Ye, Jun; Zheng, Cai-Jun; Li, Yan-Qing; Yu, Jia; Ou, Xue-Mei; Zhang, Xiao-Hong","Using fluorene to lock electronically active moieties in thermally activated delayed fluorescence emitters for high-performance non-doped organic light-emitting diodes with suppressed roll-off.","Chemical science","2020","12","4","1495","1502","10.1039/d0sc05631f","","x-ray","0.71073","MoKα","","0.0649","0.0454","","","0.1109","0.1225","","","","","","1.027","","","","has coordinates","267064","2021-07-05","16:49:04",""
"1559642","10.01048","0.00019","13.6732","0.0003","17.5596","0.0003","73.5259","0.0018","85.7741","0.0015","69.1588","0.0018","2153.01","0.08","239.9","0.2","239.9","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H41 Fe N13 O14 -","- C40 H41 Fe N13 O14 -","- C80 H82 Fe2 N26 O28 -","2","1","","Jornet-Mollá, Verónica; Giménez-Saiz, Carlos; Cañadillas-Delgado, Laura; Yufit, Dmitry S.; Howard, Judith A. K.; Romero, Francisco M.","Interplay between spin crossover and proton migration along short strong hydrogen bonds.","Chemical science","2020","12","3","1038","1053","10.1039/d0sc04918b","","","0.71073","MoKα","","0.0405","0.0328","","","0.0784","0.0836","","","","","","1.047","","","","has coordinates","267097","2021-07-05","16:58:32",""
"1559643","13.5851","0.0009","18.7551","0.0009","19.6424","0.0008","64.608","0.003","71.048","0.004","71.168","0.004","4176.3","0.4","50","1","50","1","","","","","","","","5","P -1","-P 1","2","","","","- C40 H41 Fe N13 O14 -","- C40 H41 Fe N13 O14 -","- C160 H164 Fe4 N52 O56 -","4","2","","Jornet-Mollá, Verónica; Giménez-Saiz, Carlos; Cañadillas-Delgado, Laura; Yufit, Dmitry S.; Howard, Judith A. K.; Romero, Francisco M.","Interplay between spin crossover and proton migration along short strong hydrogen bonds.","Chemical science","2020","12","3","1038","1053","10.1039/d0sc04918b","","","1.4547","neutrons","","0.0854","0.0759","","","0.2188","0.2358","","","","","","1.172","","","","has coordinates","267097","2021-07-05","16:58:32",""
"1559644","9.99242","0.00016","13.64829","0.00017","17.4977","0.0003","73.5796","0.0013","85.7654","0.0013","69.0385","0.0013","2136.52","0.06","210","0.14","210","0.14","","","","","","","","5","P -1","-P 1","2","","","","- C40 H41 Fe N13 O14 -","- C40 H41 Fe N13 O14 -","- C80 H82 Fe2 N26 O28 -","2","1","","Jornet-Mollá, Verónica; Giménez-Saiz, Carlos; Cañadillas-Delgado, Laura; Yufit, Dmitry S.; Howard, Judith A. K.; Romero, Francisco M.","Interplay between spin crossover and proton migration along short strong hydrogen bonds.","Chemical science","2020","12","3","1038","1053","10.1039/d0sc04918b","","","0.71073","MoKα","","0.035","0.0298","","","0.0719","0.0757","","","","","","1.037","","","","has coordinates","267097","2021-07-05","16:58:32",""
"1559645","9.9614","0.0018","13.577","0.003","17.271","0.003","103.019","0.008","94.103","0.008","111.28","0.007","2090.2","0.7","50","1","50","1","","","","","","","","5","P -1","-P 1","2","","","","- C40 H41 Fe N13 O14 -","- C40 H41 Fe N13 O14 -","- C80 H82 Fe2 N26 O28 -","2","1","","Jornet-Mollá, Verónica; Giménez-Saiz, Carlos; Cañadillas-Delgado, Laura; Yufit, Dmitry S.; Howard, Judith A. K.; Romero, Francisco M.","Interplay between spin crossover and proton migration along short strong hydrogen bonds.","Chemical science","2020","12","3","1038","1053","10.1039/d0sc04918b","","","0.71073","MoKα","","0.0993","0.0482","","","0.1017","0.1156","","","","","","1.035","","","","has coordinates","267097","2021-07-05","16:58:32",""
"1559646","9.9719","0.0003","13.5419","0.0004","17.0957","0.0005","76.716","0.002","85.858","0.002","110.386","0.002","2076.54","0.11","50","1","50","1","","","","","","","","5","P -1","-P 1","2","","","","- C40 H41 Fe N13 O14 -","- C40 H41 Fe N13 O14 -","- C80 H82 Fe2 N26 O28 -","2","1","","Jornet-Mollá, Verónica; Giménez-Saiz, Carlos; Cañadillas-Delgado, Laura; Yufit, Dmitry S.; Howard, Judith A. K.; Romero, Francisco M.","Interplay between spin crossover and proton migration along short strong hydrogen bonds.","Chemical science","2020","12","3","1038","1053","10.1039/d0sc04918b","","","1.4547","neutrons","","0.0717","0.0689","","","0.1862","0.19","","","","","","1.109","","","","has coordinates","267097","2021-07-05","16:58:32",""
"1559647","9.9677","0.0004","13.5502","0.0005","17.0822","0.0005","76.876","0.002","85.729","0.002","110.376","0.002","2076.34","0.13","95","1","95","1","","","","","","","","5","P -1","-P 1","2","","","","- C40 H41 Fe N13 O14 -","- C40 H41 Fe N13 O14 -","- C80 H82 Fe2 N26 O28 -","2","1","","Jornet-Mollá, Verónica; Giménez-Saiz, Carlos; Cañadillas-Delgado, Laura; Yufit, Dmitry S.; Howard, Judith A. K.; Romero, Francisco M.","Interplay between spin crossover and proton migration along short strong hydrogen bonds.","Chemical science","2020","12","3","1038","1053","10.1039/d0sc04918b","","","1.4551","neutrons","","0.0571","0.0523","","","0.1358","0.14","","","","","","1.133","","","","has coordinates","267097","2021-07-05","16:58:32",""
"1559648","9.9726","0.0003","13.6198","0.0004","17.4815","0.0005","73.5194","0.0017","85.7393","0.0018","69.1085","0.0018","2126.23","0.11","240","1","240","1","","","","","","","","5","P -1","-P 1","2","","","","- C40 H41 Fe N13 O14 -","- C40 H41 Fe N13 O14 -","- C80 H82 Fe2 N26 O28 -","2","1","","Jornet-Mollá, Verónica; Giménez-Saiz, Carlos; Cañadillas-Delgado, Laura; Yufit, Dmitry S.; Howard, Judith A. K.; Romero, Francisco M.","Interplay between spin crossover and proton migration along short strong hydrogen bonds.","Chemical science","2020","12","3","1038","1053","10.1039/d0sc04918b","","","1.4551","neutrons","","0.0566","0.05","","","0.1285","0.1336","","","","","","1.12","","","","has coordinates","267097","2021-07-05","16:58:32",""
"1559649","9.9402","0.0013","13.5461","0.0019","17.384","0.002","73.959","0.006","85.95","0.005","68.735","0.005","2095.3","0.5","50","1","50","1","","","","","","","","5","P -1","-P 1","2","","","","- C40 H41 Fe N13 O14 -","- C40 H41 Fe N13 O14 -","- C80 H82 Fe2 N26 O28 -","2","1","","Jornet-Mollá, Verónica; Giménez-Saiz, Carlos; Cañadillas-Delgado, Laura; Yufit, Dmitry S.; Howard, Judith A. K.; Romero, Francisco M.","Interplay between spin crossover and proton migration along short strong hydrogen bonds.","Chemical science","2020","12","3","1038","1053","10.1039/d0sc04918b","","","0.71073","MoKα","","0.0803","0.046","","","0.0999","0.1114","","","","","","1.035","","","","has coordinates,has disorder","267097","2021-07-05","16:58:32",""
"1559650","10.008","0.004","13.653","0.007","17.13","0.006","76.955","0.014","85.823","0.012","110.551","0.014","2105.2","1.6","95","1","95","1","","","","","","","","5","P -1","-P 1","2","","","","- C40 H41 Fe N13 O14 -","- C40 H41 Fe N13 O14 -","- C80 H82 Fe2 N26 O28 -","2","1","","Jornet-Mollá, Verónica; Giménez-Saiz, Carlos; Cañadillas-Delgado, Laura; Yufit, Dmitry S.; Howard, Judith A. K.; Romero, Francisco M.","Interplay between spin crossover and proton migration along short strong hydrogen bonds.","Chemical science","2020","12","3","1038","1053","10.1039/d0sc04918b","","","0.71073","MoKα","","0.1224","0.0632","","","0.1379","0.1659","","","","","","0.931","","","","has coordinates","267097","2021-07-05","16:58:32",""
"1559651","13.5877","0.0003","18.7535","0.0005","19.6264","0.0005","64.662","0.002","71.098","0.002","71.086","0.002","4174.4","0.2","120","1","120","1","","","","","","","","5","P -1","-P 1","2","","","","- C40 H41 Fe N13 O14 -","- C40 H41 Fe N13 O14 -","- C160 H164 Fe4 N52 O56 -","4","2","","Jornet-Mollá, Verónica; Giménez-Saiz, Carlos; Cañadillas-Delgado, Laura; Yufit, Dmitry S.; Howard, Judith A. K.; Romero, Francisco M.","Interplay between spin crossover and proton migration along short strong hydrogen bonds.","Chemical science","2020","12","3","1038","1053","10.1039/d0sc04918b","","","1.4551","neutrons","","0.075","0.0627","","","0.1761","0.1884","","","","","","1.114","","","","has coordinates","267097","2021-07-05","16:58:32",""
"1559652","9.9953","0.0003","13.6057","0.0002","17.1602","0.0003","76.844","0.0016","85.77","0.002","110.502","0.003","2098.13","0.09","94.9","0.2","94.9","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H41 Fe N13 O14 -","- C40 H41 Fe N13 O14 -","- C80 H82 Fe2 N26 O28 -","2","1","","Jornet-Mollá, Verónica; Giménez-Saiz, Carlos; Cañadillas-Delgado, Laura; Yufit, Dmitry S.; Howard, Judith A. K.; Romero, Francisco M.","Interplay between spin crossover and proton migration along short strong hydrogen bonds.","Chemical science","2020","12","3","1038","1053","10.1039/d0sc04918b","","","0.71073","MoKα","","0.066","0.0461","","","0.0931","0.1072","","","","","","1.048","","","","has coordinates","267097","2021-07-05","16:58:32",""
"1559653","13.63358","0.00018","18.8075","0.0002","19.6686","0.0002","64.7142","0.0013","71.0809","0.0012","71.0628","0.0012","4210.47","0.1","120","0.14","120","0.14","","","","","","","","5","P -1","-P 1","2","","","","- C40 H41 Fe N13 O14 -","- C40 H41 Fe N13 O14 -","- C160 H164 Fe4 N52 O56 -","4","2","","Jornet-Mollá, Verónica; Giménez-Saiz, Carlos; Cañadillas-Delgado, Laura; Yufit, Dmitry S.; Howard, Judith A. K.; Romero, Francisco M.","Interplay between spin crossover and proton migration along short strong hydrogen bonds.","Chemical science","2020","12","3","1038","1053","10.1039/d0sc04918b","","","0.71073","MoKα","","0.0473","0.0384","","","0.1026","0.1125","","","","","","1.045","","","","has coordinates","267097","2021-07-05","16:58:32",""
"1559654","13.1243","0.0003","15.2075","0.0003","16.3433","0.0003","90","","90","","90","","3261.92","0.12","103","2","103","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H53 N O3 Si -","- C31 H53 N O3 Si -","- C124 H212 N4 O12 Si4 -","4","1","","Homma, Chihiro; Takeshima, Aika; Kano, Taichi; Maruoka, Keiji","Construction of chiral α-<i>tert</i>-amine scaffolds <i>via</i> amine-catalyzed asymmetric Mannich reactions of alkyl-substituted ketimines.","Chemical science","2020","12","4","1445","1450","10.1039/d0sc05269h","","","0.71073","MoKα","","0.0295","0.0275","","","0.0667","0.068","","","","","","1.04","","","","has coordinates","267060","2021-07-05","16:48:26",""
"1559655","8.047","0.006","11.508","0.007","14.43","0.009","90","","90.23","0.04","90","","1336.3","1.5","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C17 H14 O4 -","- C17 H14 O4 -","- C68 H56 O16 -","4","1","","Gollapelli, Krishna Kumar; Patil, Vaibhav B.; Vinaykumar, Allam; Chegondi, Rambabu","Rh(i)-catalyzed stereoselective desymmetrization of prochiral cyclohexadienones <i>via</i> highly <i>exo</i>-selective Huisgen-type [3 + 2] cycloaddition.","Chemical science","2020","12","4","1544","1550","10.1039/d0sc05543c","","","0.71073","MoKα","","0.0693","0.0484","","","0.1124","0.1241","","","","","","1.052","","","","has coordinates","267061","2021-07-05","16:48:31",""
"1559656","10.081","0.004","24.946","0.008","11.246","0.004","90","","107.46","0.01","90","","2697.8","1.7","300","2","300","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","1RT","","- C51 H52 Dy N5 O8 P2 S3 -","- C51 H52 Dy N5 O8 P2 S3 -","- C102 H104 Dy2 N10 O16 P4 S6 -","2","0.5","","Huang, Xin-Da; Wen, Ge-Hua; Bao, Song-Song; Jia, Jia-Ge; Zheng, Li-Min","Thermo- and light-triggered reversible interconversion of dysprosium-anthracene complexes and their responsive optical, magnetic and dielectric properties.","Chemical science","2020","12","3","929","937","10.1039/d0sc04851h","","","0.71073","MoKα","","0.0592","0.0456","","","0.1112","0.1201","","","","","","1.048","","","","has coordinates,has disorder","267096","2021-07-05","16:58:13",""
"1559657","9.592","0.014","11.701","0.019","26.2","0.04","90.03","0.07","91.86","0.04","112.38","0.07","2717","7","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","1LT","","- C51 H52 Dy N5 O8 P2 S3 -","- C51 H52 Dy N5 O8 P2 S3 -","- C102 H104 Dy2 N10 O16 P4 S6 -","2","1","","Huang, Xin-Da; Wen, Ge-Hua; Bao, Song-Song; Jia, Jia-Ge; Zheng, Li-Min","Thermo- and light-triggered reversible interconversion of dysprosium-anthracene complexes and their responsive optical, magnetic and dielectric properties.","Chemical science","2020","12","3","929","937","10.1039/d0sc04851h","","","0.71073","MoKα","","0.1557","0.1088","","","0.2531","0.2777","","","","","","1.087","","","","has coordinates","267096","2021-07-05","16:58:13",""
"1559664","12.0065","0.0003","12.0065","0.0003","23.9165","0.0007","90","","90","","90","","3447.71","0.16","150","2","150","2","","","","","","","","3","I 41/a c d :2","-I 4bd 2c","142","","","","- In Li3 P2 -","- In Li3 P2 -","- In32 Li96 P64 -","32","1","","Restle, Tassilo M. F.; Deringer, Volker L.; Meyer, Jan; Raudaschl-Sieber, Gabriele; Fässler, Thomas F","Supertetrahedral polyanionic network in the first lithium phosphidoindate Li<sub>3</sub>InP<sub>2</sub> - structural similarity to Li<sub>2</sub>SiP<sub>2</sub> and Li<sub>2</sub>GeP<sub>2</sub> and dissimilarity to Li<sub>3</sub>AlP<sub>2</sub> and Li<sub>3</sub>GaP<sub>2</sub>.","Chemical science","2020","12","4","1278","1285","10.1039/d0sc05851c","","","0.71073","MoKα","","0.0212","0.0143","","","0.0302","0.0316","","","","","","1.023","","","","has coordinates","267067","2021-07-05","16:50:22",""
"1559665","14.029","0.002","9.9593","0.0019","20.562","0.003","90","","92.648","0.004","90","","2869.8","0.8","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H30 B11 P -","- C26 H30 B11 P -","- C104 H120 B44 P4 -","4","1","","Zhang, Jian; Xie, Zuowei","Tri-insertion with dearomatization of terminal arylalkynes using a carborane based frustrated Lewis pair template.","Chemical science","2020","12","5","1745","1749","10.1039/d0sc05755j","","","0.71073","MoKα","","0.1142","0.0636","","","0.1547","0.1891","","","","","","1.021","","","","has coordinates","267058","2021-07-05","16:46:25",""
"1559666","14.553","0.003","14.829","0.003","15.99","0.003","69.051","0.004","79.173","0.004","70.065","0.004","3021","1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H75 B11 N3 P -","- C62 H75 B11 N3 P -","- C124 H150 B22 N6 P2 -","2","1","","Zhang, Jian; Xie, Zuowei","Tri-insertion with dearomatization of terminal arylalkynes using a carborane based frustrated Lewis pair template.","Chemical science","2020","12","5","1745","1749","10.1039/d0sc05755j","","","0.71073","MoKα","","0.1799","0.0874","","","0.1997","0.2546","","","","","","0.973","","","","has coordinates","267058","2021-07-05","16:46:34",""
"1559667","11.524","0.003","14.772","0.004","20.643","0.006","77.743","0.005","77.242","0.005","71.242","0.005","3207.1","1.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H67 B11 N3 P -","- C58 H67 B11 N3 P -","- C116 H134 B22 N6 P2 -","2","1","","Zhang, Jian; Xie, Zuowei","Tri-insertion with dearomatization of terminal arylalkynes using a carborane based frustrated Lewis pair template.","Chemical science","2020","12","5","1745","1749","10.1039/d0sc05755j","","","0.71073","MoKα","","0.1573","0.0834","","","0.2171","0.2503","","","","","","0.842","","","","has coordinates","276143","2022-06-22","06:24:16",""
"1559668","11.512","0.0013","22.661","0.003","14.8847","0.0017","90","","95.426","0.003","90","","3865.6","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H41 B11 N P -","- C36 H41 B11 N P -","- C144 H164 B44 N4 P4 -","4","1","","Zhang, Jian; Xie, Zuowei","Tri-insertion with dearomatization of terminal arylalkynes using a carborane based frustrated Lewis pair template.","Chemical science","2020","12","5","1745","1749","10.1039/d0sc05755j","","","0.71073","MoKα","","0.11","0.0666","","","0.1595","0.1769","","","","","","0.893","","","","has coordinates","267058","2021-07-05","16:46:48",""
"1559669","13.061","0.002","13.363","0.003","17.006","0.003","91.902","0.003","112.387","0.003","107.918","0.003","2572.9","0.8","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H65 B11 N O2 P -","- C54 H65 B11 N O2 P -","- C108 H130 B22 N2 O4 P2 -","2","1","","Zhang, Jian; Xie, Zuowei","Tri-insertion with dearomatization of terminal arylalkynes using a carborane based frustrated Lewis pair template.","Chemical science","2020","12","5","1745","1749","10.1039/d0sc05755j","","","0.71073","MoKα","","0.1132","0.0694","","","0.1709","0.2048","","","","","","1.016","","","","has coordinates","267058","2021-07-05","16:46:50",""
"1559670","15.0697","0.0018","14.0752","0.0018","29.446","0.004","90","","98.86","0.003","90","","6171.2","1.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H63 B11 N3 P -","- C56 H63 B11 N3 P -","- C224 H252 B44 N12 P4 -","4","1","","Zhang, Jian; Xie, Zuowei","Tri-insertion with dearomatization of terminal arylalkynes using a carborane based frustrated Lewis pair template.","Chemical science","2020","12","5","1745","1749","10.1039/d0sc05755j","","","0.71073","MoKα","","0.2351","0.0822","","","0.1756","0.2483","","","","","","0.917","","","","has coordinates","267058","2021-07-05","16:46:50",""
"1559671","12.189","0.006","21.845","0.011","22.102","0.011","90","","102.623","0.009","90","","5743","5","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C51 H55 B11 N O2 P -","- C51 H55 B11 N O2 P -","- C204 H220 B44 N4 O8 P4 -","4","1","","Zhang, Jian; Xie, Zuowei","Tri-insertion with dearomatization of terminal arylalkynes using a carborane based frustrated Lewis pair template.","Chemical science","2020","12","5","1745","1749","10.1039/d0sc05755j","","","0.71073","MoKα","","0.1552","0.0934","","","0.2261","0.2548","","","","","","0.902","","","","has coordinates","276143","2022-06-22","06:24:16",""
"1559672","14.84","0.002","15.233","0.002","17.153","0.002","78.44","0.003","77.68","0.003","74.344","0.003","3605.4","0.8","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C78 H91 B11 N3 O2 P -","- C78 H91 B11 N3 O2 P -","- C156 H182 B22 N6 O4 P2 -","2","1","","Zhang, Jian; Xie, Zuowei","Tri-insertion with dearomatization of terminal arylalkynes using a carborane based frustrated Lewis pair template.","Chemical science","2020","12","5","1745","1749","10.1039/d0sc05755j","","","0.71073","MoKα","","0.1698","0.0801","","","0.1759","0.2231","","","","","","0.99","","","","has coordinates,has disorder","267058","2021-07-05","16:46:50",""
"1559673","5.0451","0.0001","13.6147","0.0003","15.6358","0.0003","90","","93.956","0.002","90","","1071.43","0.04","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H11 N O2 -","- C14 H11 N O2 -","- C56 H44 N4 O8 -","4","1","","Palani, Vignesh; Perea, Melecio A.; Gardner, Kristen E.; Sarpong, Richmond","A pyrone remodeling strategy to access diverse heterocycles: application to the synthesis of fascaplysin natural products.","Chemical science","2020","12","4","1528","1534","10.1039/d0sc06317g","","","1.54184","CuKα","","0.0573","0.0561","","","0.165","0.1667","","","","","","1.071","","","","has coordinates","267069","2021-07-05","16:50:41",""
"1559674","8.6415","0.0001","14.2584","0.0003","9.2288","0.0002","90","","97.831","0.002","90","","1126.51","0.04","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C56 H40 Cl4 N4 O8 -","4","1","","Palani, Vignesh; Perea, Melecio A.; Gardner, Kristen E.; Sarpong, Richmond","A pyrone remodeling strategy to access diverse heterocycles: application to the synthesis of fascaplysin natural products.","Chemical science","2020","12","4","1528","1534","10.1039/d0sc06317g","","","1.54184","CuKα","","0.0379","0.035","","","0.0951","0.0971","","","","","","1.064","","","","has coordinates","267069","2021-07-05","16:50:41",""
"1559675","10.184","0.0003","11.0563","0.0003","14.3733","0.0003","69.266","0.002","87.583","0.002","89.765","0.002","1512.13","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H15 N O2 -","- C21 H15 N O2 -","- C84 H60 N4 O8 -","4","2","","Palani, Vignesh; Perea, Melecio A.; Gardner, Kristen E.; Sarpong, Richmond","A pyrone remodeling strategy to access diverse heterocycles: application to the synthesis of fascaplysin natural products.","Chemical science","2020","12","4","1528","1534","10.1039/d0sc06317g","","","1.54184","CuKα","","0.039","0.0366","","","0.0924","0.0941","","","","","","1.038","","","","has coordinates","267069","2021-07-05","16:50:41",""
"1559727","13.9627","0.0011","24.4797","0.0019","20.1924","0.0016","90","","109.711","0.004","90","","6497.4","0.9","173","2","173.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C58 H60 B2 F24 N4 O2 Pt -","- C58 H60 B2 F24 N4 O2 Pt -","- C232 H240 B8 F96 N16 O8 Pt4 -","4","1","","Ríos, Pablo; Martín-de la Calle, Rocío; Vidossich, Pietro; Fernández-de-Córdova, Francisco José; Lledós, Agustí; Conejero, Salvador","Reversible carbon-boron bond formation at platinum centers through σ-BH complexes.","Chemical science","2020","12","5","1647","1655","10.1039/d0sc05522k","","","0.56086","AgKα","","0.0572","0.0358","","","0.073","0.0813","","","","","","1.034","","","","has coordinates,has disorder","267056","2021-07-05","16:45:50",""
"1559728","17.784","0.001","19.3314","0.0012","19.4985","0.0012","77.056","0.003","83.793","0.003","71.134","0.003","6177.4","0.7","99.99","","99.99","","","","","","","","","6","P -1","-P 1","2","","","","- C58 H54 B2 F24 N6 Pt -","- C58 H54 B2 F24 N6 Pt -","- C232 H216 B8 F96 N24 Pt4 -","4","2","","Ríos, Pablo; Martín-de la Calle, Rocío; Vidossich, Pietro; Fernández-de-Córdova, Francisco José; Lledós, Agustí; Conejero, Salvador","Reversible carbon-boron bond formation at platinum centers through σ-BH complexes.","Chemical science","2020","12","5","1647","1655","10.1039/d0sc05522k","","","0.56086","AgKα","","0.1031","0.06","","","0.1401","0.1624","","","","","","1.039","","","","has coordinates,has disorder","267056","2021-07-05","16:45:50",""
"1559729","12.8046","0.0007","13.6804","0.0007","18.4265","0.001","96.145","0.003","98.035","0.003","91.631","0.003","3174.7","0.3","173","2","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C58 H54 B2 F24 N6 Pt -","- C58 H54 B2 F24 N6 Pt -","- C116 H108 B4 F48 N12 Pt2 -","2","1","","Ríos, Pablo; Martín-de la Calle, Rocío; Vidossich, Pietro; Fernández-de-Córdova, Francisco José; Lledós, Agustí; Conejero, Salvador","Reversible carbon-boron bond formation at platinum centers through σ-BH complexes.","Chemical science","2020","12","5","1647","1655","10.1039/d0sc05522k","","","0.56086","AgKα","","0.0645","0.0438","","","0.0819","0.0888","","","","","","1.044","","","","has coordinates,has disorder","267056","2021-07-05","16:45:50",""
"1559730","13.001","0.0007","26.3167","0.0013","21.0636","0.001","90","","101.229","0.002","90","","7068.8","0.6","273","2","273","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C63 H69 B2 F24 N5 O2 Pt -","- C63 H69 B2 F24 N5 O2 Pt -","- C252 H276 B8 F96 N20 O8 Pt4 -","4","1","","Ríos, Pablo; Martín-de la Calle, Rocío; Vidossich, Pietro; Fernández-de-Córdova, Francisco José; Lledós, Agustí; Conejero, Salvador","Reversible carbon-boron bond formation at platinum centers through σ-BH complexes.","Chemical science","2020","12","5","1647","1655","10.1039/d0sc05522k","","","0.56086","AgKα","","0.0773","0.0506","","","0.105","0.1148","","","","","","1.092","","","","has coordinates,has disorder","267056","2021-07-05","16:45:50",""
"1559731","28.129","0.0008","28.129","0.0008","10.2773","0.0004","90","","90","","120","","7042.4","0.4","173","2","173","2","","","","","","","","6","P 61","P 61","169","","","","- C55.17 H44.33 N4 O P Zn -","- C55.1669 H44.3336 N4 O P Zn -","- C331.001 H266.002 N24 O6 P6 Zn6 -","6","1","","Chakraborty, Debarshi; Gholami, Hadi; Sarkar, Aritra; Joyce, Leo A.; Jackson, James E.; Borhan, Babak","A chiroptical approach for the absolute stereochemical determination of <i>P</i>-stereogenic centers.","Chemical science","2020","12","5","1750","1755","10.1039/d0sc02940h","","","1.54178","CuKα","","0.198","0.088","","","0.2059","0.2611","","","","","","0.957","","","","has coordinates,has disorder","267054","2021-07-05","16:45:31",""
"1559733","10.6148","0.0002","5.0773","0.0001","15.8871","0.0003","90","","104.929","0.002","90","","827.33","0.03","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H23 Cl N2 O3 -","- C16 H23 Cl N2 O3 -","- C32 H46 Cl2 N4 O6 -","2","1","","Steigerwald, Daniel C.; Soltanzadeh, Bardia; Sarkar, Aritra; Morgenstern, Cecilia C.; Staples, Richard J.; Borhan, Babak","Ritter-enabled catalytic asymmetric chloroamidation of olefins.","Chemical science","2020","12","5","1834","1842","10.1039/d0sc05224h","","","1.54178","CuKα","","0.049","0.0387","","","0.0811","0.085","","","","","","1.01","","","","has coordinates","267055","2021-07-05","16:45:37",""
"1559734","4.9505","0.0002","8.582","0.0003","19.942","0.0006","88.027","0.002","85.435","0.002","89.121","0.002","843.98","0.05","173","2","173","2","","","","","","","","6","P 1","P 1","1","","","","- C15 H20 Br Cl N2 O2 -","- C15 H20 Br Cl N2 O2 -","- C30 H40 Br2 Cl2 N4 O4 -","2","2","","Steigerwald, Daniel C.; Soltanzadeh, Bardia; Sarkar, Aritra; Morgenstern, Cecilia C.; Staples, Richard J.; Borhan, Babak","Ritter-enabled catalytic asymmetric chloroamidation of olefins.","Chemical science","2020","12","5","1834","1842","10.1039/d0sc05224h","","","1.54178","CuKα","","0.0586","0.0489","","","0.1146","0.1207","","","","","","1.05","","","","has coordinates","267055","2021-07-05","16:45:37",""
"1559735","7.0556","0.0003","11.2701","0.0004","21.8311","0.0008","76.95","0.003","80.721","0.003","83.88","0.003","1664.53","0.11","293.1","0.6","293.1","0.6","","","","","","","","5","P -1","-P 1","2","","","","- C39 H35 Cl N2 O4 -","- C39 H35 Cl N2 O4 -","- C78 H70 Cl2 N4 O8 -","2","1","","Yan, Lipeng; Ma, Weixin; Lan, Jingbo; Cheng, Hu; Bin, Zhengyang; Wu, Di; You, Jingsong","Molecular engineering enabling reversible transformation between helical and planar conformations by cyclization of alkynes.","Chemical science","2020","12","7","2419","2426","10.1039/d0sc05844k","","x-ray","1.54184","CuKα","","0.0643","0.0573","","","0.1664","0.1771","","","","","","1.021","","","","has coordinates","267089","2021-07-05","16:55:29",""
"1559736","11.61201","0.00013","15.7662","0.0002","16.56274","0.00019","90","","96.2696","0.001","90","","3014.13","0.06","294.7","0.6","294.7","0.6","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C39 H26 N2 -","- C39 H26 N2 -","- C156 H104 N8 -","4","1","","Yan, Lipeng; Ma, Weixin; Lan, Jingbo; Cheng, Hu; Bin, Zhengyang; Wu, Di; You, Jingsong","Molecular engineering enabling reversible transformation between helical and planar conformations by cyclization of alkynes.","Chemical science","2020","12","7","2419","2426","10.1039/d0sc05844k","","x-ray","1.54184","CuKα","","0.0577","0.0517","","","0.1487","0.1574","","","","","","1.038","","","","has coordinates","267089","2021-07-05","16:55:29",""
"1559742","13.2976","0.0002","25.7772","0.0002","38.6074","0.0007","90","","90","","90","","13233.6","0.3","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C123.64 H127.46 F9 Lu N9.82 O29 S3 -","- C123.584 H127.376 F9 Lu N9.792 O29 S3 -","- C494.336 H509.504 F36 Lu4 N39.168 O116 S12 -","4","1","","Song, Yiwei; Schaufelberger, Fredrik; Ashbridge, Zoe; Pirvu, Lucian; Vitorica-Yrezabal, Iñigo J; Leigh, David A.","Effects of turn-structure on folding and entanglement in artificial molecular overhand knots.","Chemical science","2020","12","5","1826","1833","10.1039/d0sc05897a","","x-ray","0.6889","Synchrotron","","0.1254","0.078","","","0.2195","0.2503","","","","","","1.015","","","","has coordinates,has disorder","267052","2021-07-05","16:45:17",""
"1559743","7.3505","0.0004","9.1897","0.0006","17.0347","0.0011","94.567","0.006","91.046","0.005","113.509","0.006","1050.24","0.12","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","Pyrene 9,10-dicyanoanthracene","","- C32 H18 N2 -","- C32 H18 N2 -","- C64 H36 N4 -","2","1","","Vriza, Aikaterini; Canaj, Angelos B.; Vismara, Rebecca; Kershaw Cook, Laurence J.; Manning, Troy D.; Gaultois, Michael W.; Wood, Peter A.; Kurlin, Vitaliy; Berry, Neil; Dyer, Matthew S.; Rosseinsky, Matthew J.","One class classification as a practical approach for accelerating π-π co-crystal discovery.","Chemical science","2020","12","5","1702","1719","10.1039/d0sc04263c","","x-ray","0.71073","MoKα","","0.144","0.0904","","","0.2084","0.2358","","","","","","1.052","","","","has coordinates","267053","2021-07-05","16:45:24",""
"1559744","8.295","0.0005","16.3146","0.0011","21.1379","0.0018","90","","91.514","0.007","90","","2859.6","0.4","100","2","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","bis-(6H-Benzo[c]chromen-6-one) pyrene","","- C42 H26 O4 -","- C42 H26 O4 -","- C168 H104 O16 -","4","1","","Vriza, Aikaterini; Canaj, Angelos B.; Vismara, Rebecca; Kershaw Cook, Laurence J.; Manning, Troy D.; Gaultois, Michael W.; Wood, Peter A.; Kurlin, Vitaliy; Berry, Neil; Dyer, Matthew S.; Rosseinsky, Matthew J.","One class classification as a practical approach for accelerating π-π co-crystal discovery.","Chemical science","2020","12","5","1702","1719","10.1039/d0sc04263c","","x-ray","0.71073","MoKα","","0.1468","0.1143","","","0.3074","0.3306","","","","","","1.079","","","","has coordinates,has disorder","267053","2021-07-05","16:45:24",""
"1559745","11.438","0.002","23.034","0.004","15.788","0.003","90","","95.203","0.003","90","","4142.4","1.3","296","2","296.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 Al0.5 Mo6 N3 O34.25 P4 -","- C18 H27 Al0.5 Mo6 N3 O34.25 P4 -","- C72 H108 Al2 Mo24 N12 O137 P16 -","4","1","","Zhang, Ya-Qi; Zhou, Lai-Yun; Ma, Yuan-Yuan; Dastafkan, Kamran; Zhao, Chuan; Wang, Lan-Zhi; Han, Zhan-Gang","Stable monovalent aluminum(i) in a reduced phosphomolybdate cluster as an active acid catalyst.","Chemical science","2020","12","5","1886","1890","10.1039/d0sc05277a","","","0.71073","MoKα","","0.0403","0.0339","","","0.084","0.0878","","","","","","1.079","","","","has coordinates,has disorder","267057","2021-07-05","16:46:04",""
"1559746","48.173","0.005","13.8607","0.0013","47.347","0.005","90","","117.571","0.003","90","","28024","5","296","2","296.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C132 H114 Al6 Mo36 N22 O201 P24 -","- C132 H164 Al6 Mo36 N22 O201 P24 -","- C528 H656 Al24 Mo144 N88 O804 P96 -","4","0.5","","Zhang, Ya-Qi; Zhou, Lai-Yun; Ma, Yuan-Yuan; Dastafkan, Kamran; Zhao, Chuan; Wang, Lan-Zhi; Han, Zhan-Gang","Stable monovalent aluminum(i) in a reduced phosphomolybdate cluster as an active acid catalyst.","Chemical science","2020","12","5","1886","1890","10.1039/d0sc05277a","","","0.71073","MoKα","","0.0686","0.0594","","","0.1433","0.1485","","","","","","1.117","","","","has coordinates","267057","2021-07-05","16:46:04",""
"1559747","17.4036","0.0007","20.6957","0.0008","24.9538","0.001","103.801","0.002","102.939","0.002","109.687","0.002","7749.8","0.6","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C199 H530 Ce6 Cl8 N36 Si36 -","- C199 H530 Ce6 Cl8 N36 Si36 -","- C199 H530 Ce6 Cl8 N36 Si36 -","1","0.5","","Qiao, Yusen; Yin, Haolin; Moreau, Liane M.; Feng, Rulin; Higgins, Robert F.; Manor, Brian C.; Carroll, Patrick J.; Booth, Corwin H.; Autschbach, Jochen; Schelter, Eric J.","Cerium(iv) complexes with guanidinate ligands: intense colors and anomalous electronic structures.","Chemical science","2020","12","10","3558","3567","10.1039/d0sc05193d","","","0.71073","MoKα","","0.0668","0.0568","","","0.1256","0.1344","","","","","","1.048","","","","has coordinates,has disorder","267043","2021-07-05","16:42:53",""
"1559748","18.6937","0.0017","18.0533","0.0016","26.789","0.002","90","","91.191","0.003","90","","9038.9","1.3","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C64 H94 B Ce F24 N7 Si6 -","- C64 H94 B Ce F24 N7 Si6 -","- C256 H376 B4 Ce4 F96 N28 Si24 -","4","1","","Qiao, Yusen; Yin, Haolin; Moreau, Liane M.; Feng, Rulin; Higgins, Robert F.; Manor, Brian C.; Carroll, Patrick J.; Booth, Corwin H.; Autschbach, Jochen; Schelter, Eric J.","Cerium(iv) complexes with guanidinate ligands: intense colors and anomalous electronic structures.","Chemical science","2020","12","10","3558","3567","10.1039/d0sc05193d","","","0.71073","MoKα","","0.086","0.0661","","","0.1652","0.1879","","","","","","1.123","","","","has coordinates,has disorder","267043","2021-07-05","16:42:53",""
"1559749","11.495","0.003","11.697","0.003","11.753","0.003","72.463","0.004","82.359","0.004","71.422","0.003","1427.1","0.6","173","2","172.99","","","","","","","","","4","P -1","-P 1","2","","","","- C50 H46 Mn2 N30 -","- C50 H46 Mn2 N30 -","- C50 H46 Mn2 N30 -","1","0.5","","Vaddypally, Shivaiah; Kiselev, Vitaly G.; Byrne, Alex N.; Goldsmith, C. Franklin; Zdilla, Michael J.","Transition-metal-mediated reduction and reversible double-cyclization of cyanuric triazide to an asymmetric bitetrazolate involving cleavage of the six-membered aromatic ring.","Chemical science","2020","12","6","2268","2275","10.1039/d0sc04949b","","","0.71073","MoKα","","0.0644","0.05","","","0.1281","0.141","","","","","","1.033","","","","has coordinates","267087","2021-07-05","16:55:04",""
"1559750","9.332","0.003","13.337","0.005","15.845","0.006","90","","97.844","0.007","90","","1953.6","1.2","100","2","99.95","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H30 Cu2 N26 -","- C36 H30 Cu2 N26 -","- C72 H60 Cu4 N52 -","2","0.5","","Vaddypally, Shivaiah; Kiselev, Vitaly G.; Byrne, Alex N.; Goldsmith, C. Franklin; Zdilla, Michael J.","Transition-metal-mediated reduction and reversible double-cyclization of cyanuric triazide to an asymmetric bitetrazolate involving cleavage of the six-membered aromatic ring.","Chemical science","2020","12","6","2268","2275","10.1039/d0sc04949b","","","0.71073","MoKα","","0.0915","0.0471","","","0.0804","0.0923","","","","","","1.012","","","","has coordinates","267087","2021-07-05","16:55:04",""
"1559751","8.018","0.004","4.669","0.003","18.877","0.01","90","","101.238","0.01","90","","693.1","0.7","100","2","99.99","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2-amino-4,6-diazido-1,3,5-triazine","","- C3 H2 N10 -","- C3 H2 N10 -","- C12 H8 N40 -","4","1","","Vaddypally, Shivaiah; Kiselev, Vitaly G.; Byrne, Alex N.; Goldsmith, C. Franklin; Zdilla, Michael J.","Transition-metal-mediated reduction and reversible double-cyclization of cyanuric triazide to an asymmetric bitetrazolate involving cleavage of the six-membered aromatic ring.","Chemical science","2020","12","6","2268","2275","10.1039/d0sc04949b","","","0.71073","MoKα","","0.0772","0.0617","","","0.1711","0.1795","","","","","","1.098","","","","has coordinates","267087","2021-07-05","16:55:04",""
"1559752","9.58","0.005","13.076","0.008","15.904","0.009","90","","97.636","0.013","90","","1974.6","1.9","100","2","100.03","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H30 N26 Zn2 -","- C36 H30 N26 Zn2 -","- C72 H60 N52 Zn4 -","2","0.5","","Vaddypally, Shivaiah; Kiselev, Vitaly G.; Byrne, Alex N.; Goldsmith, C. Franklin; Zdilla, Michael J.","Transition-metal-mediated reduction and reversible double-cyclization of cyanuric triazide to an asymmetric bitetrazolate involving cleavage of the six-membered aromatic ring.","Chemical science","2020","12","6","2268","2275","10.1039/d0sc04949b","","","0.71073","MoKα","","0.1196","0.0548","","","0.0958","0.1148","","","","","","0.988","","","","has coordinates","267087","2021-07-05","16:55:04",""
"1559753","11.034","0.004","13.414","0.006","18.758","0.008","91.221","0.006","106.188","0.006","99.178","0.007","2625.8","1.9","100","2","100.04","","","","","","","","","5","P -1","-P 1","2","","","","- C46 H49 Fe2 N27 O2 -","- C46 H49 Fe2 N27 O2 -","- C92 H98 Fe4 N54 O4 -","2","1","","Vaddypally, Shivaiah; Kiselev, Vitaly G.; Byrne, Alex N.; Goldsmith, C. Franklin; Zdilla, Michael J.","Transition-metal-mediated reduction and reversible double-cyclization of cyanuric triazide to an asymmetric bitetrazolate involving cleavage of the six-membered aromatic ring.","Chemical science","2020","12","6","2268","2275","10.1039/d0sc04949b","","","0.71073","MoKα","","0.147","0.0685","","","0.1671","0.2186","","","","","","1.014","","","","has coordinates,has disorder","267087","2021-07-05","16:55:04",""
"1559754","11.927","0.002","20.144","0.004","10.56","0.002","90","","98.269","0.004","90","","2510.7","0.8","100","2","100.09","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H46 N26 Ni2 O2 -","- C44 H46 N26 Ni2 O2 -","- C88 H92 N52 Ni4 O4 -","2","0.5","","Vaddypally, Shivaiah; Kiselev, Vitaly G.; Byrne, Alex N.; Goldsmith, C. Franklin; Zdilla, Michael J.","Transition-metal-mediated reduction and reversible double-cyclization of cyanuric triazide to an asymmetric bitetrazolate involving cleavage of the six-membered aromatic ring.","Chemical science","2020","12","6","2268","2275","10.1039/d0sc04949b","","","0.71073","MoKα","","0.0809","0.0461","","","0.0932","0.1055","","","","","","1.03","","","","has coordinates,has disorder","267087","2021-07-05","16:55:04",""
"1559758","8.1323","0.0002","8.1695","0.0002","19.3253","0.0004","90","","90.803","0.001","90","","1283.79","0.05","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H19 N3 O2 -","- C14 H19 N3 O2 -","- C56 H76 N12 O8 -","4","1","","Millward, Makenzie J.; Ellis, Emily; Ward, John W.; Clayden, Jonathan","Hydantoin-bridged medium ring scaffolds by migratory insertion of urea-tethered nitrile anions into aromatic C-N bonds.","Chemical science","2020","12","6","2091","2096","10.1039/d0sc06188c","","","0.71073","MoKα","","0.0507","0.0448","","","0.1036","0.1067","","","","","","1.119","","","","has coordinates,has disorder","267082","2021-07-05","16:53:30",""
"1559759","8.0314","0.0002","8.1488","0.0002","19.2027","0.0005","90","","90.5479","0.0017","90","","1256.69","0.05","100","","99.97","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H17 N3 O3 -","- C13 H17 N3 O3 -","- C52 H68 N12 O12 -","4","1","","Millward, Makenzie J.; Ellis, Emily; Ward, John W.; Clayden, Jonathan","Hydantoin-bridged medium ring scaffolds by migratory insertion of urea-tethered nitrile anions into aromatic C-N bonds.","Chemical science","2020","12","6","2091","2096","10.1039/d0sc06188c","","","0.71073","MoKα","","0.0449","0.0378","","","0.0952","0.0998","","","","","","1.049","","","","has coordinates","267082","2021-07-05","16:53:30",""
"1559760","13.4226","0.0006","7.6316","0.0004","22.4832","0.0011","90","","90","","90","","2303.09","0.19","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H15 N3 O2 -","- C13 H15 N3 O2 -","- C104 H120 N24 O16 -","8","1","","Millward, Makenzie J.; Ellis, Emily; Ward, John W.; Clayden, Jonathan","Hydantoin-bridged medium ring scaffolds by migratory insertion of urea-tethered nitrile anions into aromatic C-N bonds.","Chemical science","2020","12","6","2091","2096","10.1039/d0sc06188c","","","0.71073","MoKα","","0.0543","0.0413","","","0.0977","0.1046","","","","","","1.047","","","","has coordinates","267082","2021-07-05","16:53:30",""
"1559761","7.6118","0.0002","9.3656","0.0003","12.1634","0.0004","93.7306","0.0019","95.39","0.002","108.127","0.0018","816.35","0.04","100","","100.01","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H26 N3 O2.5 -","- C18 H26 N3 O2.5 -","- C36 H52 N6 O5 -","2","1","","Millward, Makenzie J.; Ellis, Emily; Ward, John W.; Clayden, Jonathan","Hydantoin-bridged medium ring scaffolds by migratory insertion of urea-tethered nitrile anions into aromatic C-N bonds.","Chemical science","2020","12","6","2091","2096","10.1039/d0sc06188c","","","0.71073","MoKα","","0.0557","0.0428","","","0.1072","0.115","","","","","","1.039","","","","has coordinates,has disorder","267082","2021-07-05","16:53:30",""
"1559762","7.1405","0.0003","8.577","0.0004","11.9704","0.0006","73.957","0.003","88.399","0.003","78.976","0.003","691.32","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H21 N3 O2 -","- C15 H21 N3 O2 -","- C30 H42 N6 O4 -","2","1","","Millward, Makenzie J.; Ellis, Emily; Ward, John W.; Clayden, Jonathan","Hydantoin-bridged medium ring scaffolds by migratory insertion of urea-tethered nitrile anions into aromatic C-N bonds.","Chemical science","2020","12","6","2091","2096","10.1039/d0sc06188c","","","0.71073","MoKα","","0.0471","0.0395","","","0.0994","0.104","","","","","","1.045","","","","has coordinates","267082","2021-07-05","16:53:30",""
"1559763","7.0488","0.0002","8.6329","0.0003","12.6463","0.0005","88.989","0.002","74.751","0.002","77.777","0.002","725.03","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H21 N3 O -","- C17 H21 N3 O -","- C34 H42 N6 O2 -","2","1","","Millward, Makenzie J.; Ellis, Emily; Ward, John W.; Clayden, Jonathan","Hydantoin-bridged medium ring scaffolds by migratory insertion of urea-tethered nitrile anions into aromatic C-N bonds.","Chemical science","2020","12","6","2091","2096","10.1039/d0sc06188c","","","0.71073","MoKα","","0.0433","0.0378","","","0.0899","0.094","","","","","","1.034","","","","has coordinates","267082","2021-07-05","16:53:30",""
"1559764","6.9675","0.0012","8.6877","0.0014","12.0676","0.0019","87.02","0.011","74.121","0.011","77.399","0.012","685.7","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H19 N3 O -","- C16 H19 N3 O -","- C32 H38 N6 O2 -","2","1","","Millward, Makenzie J.; Ellis, Emily; Ward, John W.; Clayden, Jonathan","Hydantoin-bridged medium ring scaffolds by migratory insertion of urea-tethered nitrile anions into aromatic C-N bonds.","Chemical science","2020","12","6","2091","2096","10.1039/d0sc06188c","","","0.71073","MoKα","","0.0735","0.0466","","","0.102","0.114","","","","","","1.034","","","","has coordinates","267082","2021-07-05","16:53:30",""
"1559765","22.0392","0.0006","22.0392","0.0006","7.1184","0.0002","90","","90","","120","","2994.36","0.14","100","2","100","2","","","","","","","","4","P 31","P 31","144","","","","- C15 H19 N3 O -","- C15 H19 N3 O -","- C135 H171 N27 O9 -","9","3","","Millward, Makenzie J.; Ellis, Emily; Ward, John W.; Clayden, Jonathan","Hydantoin-bridged medium ring scaffolds by migratory insertion of urea-tethered nitrile anions into aromatic C-N bonds.","Chemical science","2020","12","6","2091","2096","10.1039/d0sc06188c","","","0.71073","MoKα","","0.0623","0.0444","","","0.0831","0.0905","","","","","","1.023","","","","has coordinates","267082","2021-07-05","16:53:30",""
"1559766","9.6859","0.0002","8.2156","0.0002","16.9618","0.0003","90","","106.12","0.001","90","","1296.67","0.05","100","","100.01","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H18 N2 O2 -","- C15 H18 N2 O2 -","- C60 H72 N8 O8 -","4","1","","Millward, Makenzie J.; Ellis, Emily; Ward, John W.; Clayden, Jonathan","Hydantoin-bridged medium ring scaffolds by migratory insertion of urea-tethered nitrile anions into aromatic C-N bonds.","Chemical science","2020","12","6","2091","2096","10.1039/d0sc06188c","","","0.71073","MoKα","","0.053","0.0396","","","0.0968","0.1047","","","","","","1.014","","","","has coordinates","267082","2021-07-05","16:53:30",""
"1559767","8.3617","0.0003","13.8207","0.0006","16.0698","0.0006","90","","90","","90","","1857.1","0.13","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H26 N6 O4 -","- C18 H26 N6 O4 -","- C72 H104 N24 O16 -","4","1","","Millward, Makenzie J.; Ellis, Emily; Ward, John W.; Clayden, Jonathan","Hydantoin-bridged medium ring scaffolds by migratory insertion of urea-tethered nitrile anions into aromatic C-N bonds.","Chemical science","2020","12","6","2091","2096","10.1039/d0sc06188c","","","0.71073","MoKα","","0.0444","0.0355","","","0.0754","0.08","","","","","","1.018","","","","has coordinates","267082","2021-07-05","16:53:30",""
"1559768","14.0179","0.0005","13.6325","0.0005","22.7651","0.0007","90","","107.536","0.001","90","","4148.2","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C54 H38 F8 N4 -","- C54 H38 F8 N4 -","- C216 H152 F32 N16 -","4","2","","Navarro-Huerta, Armando; Jellen, Marcus J.; Arcudia, Jessica; Teat, Simon J.; Toscano, Rubén A; Merino, Gabriel; Rodríguez-Molina, Braulio","Tailoring the cavities of hydrogen-bonded amphidynamic crystals using weak contacts: towards faster molecular machines.","Chemical science","2020","12","6","2181","2188","10.1039/d0sc05899h","","","0.7288","synchrotron","","0.0348","0.0337","","","0.0884","0.0896","","","","","","1.029","","","","has coordinates","267084","2021-07-05","16:54:06",""
"1559769","13.9524","0.0006","14.0942","0.0005","22.7794","0.0008","90","","106.433","0.0015","90","","4296.5","0.3","300","2","300","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C54 H38 F8 N4 -","- C54 H38 F8 N4 -","- C216 H152 F32 N16 -","4","1","","Navarro-Huerta, Armando; Jellen, Marcus J.; Arcudia, Jessica; Teat, Simon J.; Toscano, Rubén A; Merino, Gabriel; Rodríguez-Molina, Braulio","Tailoring the cavities of hydrogen-bonded amphidynamic crystals using weak contacts: towards faster molecular machines.","Chemical science","2020","12","6","2181","2188","10.1039/d0sc05899h","","","0.7288","synchrotron","","0.0471","0.0372","","","0.0936","0.0993","","","","","","1.047","","","","has coordinates","267084","2021-07-05","16:54:06",""
"1559770","6.824","0.0008","14.6816","0.0018","21.469","0.003","90","","95.4","0.004","90","","2141.4","0.5","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C54 H38 F8 N4 -","- C54 H38 F8 N4 -","- C108 H76 F16 N8 -","2","0.5","","Navarro-Huerta, Armando; Jellen, Marcus J.; Arcudia, Jessica; Teat, Simon J.; Toscano, Rubén A; Merino, Gabriel; Rodríguez-Molina, Braulio","Tailoring the cavities of hydrogen-bonded amphidynamic crystals using weak contacts: towards faster molecular machines.","Chemical science","2020","12","6","2181","2188","10.1039/d0sc05899h","","","0.71073","MoKα","","0.1583","0.0572","","","0.1092","0.1405","","","","","","1.009","","","","has coordinates,has disorder","267084","2021-07-05","16:54:06",""
"1559771","14.0444","0.0004","13.7744","0.0004","22.8418","0.0007","90","","107.59","0.001","90","","4212.2","0.2","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C54 H38 F8 N4 -","- C54 H38 F8 N4 -","- C216 H152 F32 N16 -","4","2","","Navarro-Huerta, Armando; Jellen, Marcus J.; Arcudia, Jessica; Teat, Simon J.; Toscano, Rubén A; Merino, Gabriel; Rodríguez-Molina, Braulio","Tailoring the cavities of hydrogen-bonded amphidynamic crystals using weak contacts: towards faster molecular machines.","Chemical science","2020","12","6","2181","2188","10.1039/d0sc05899h","","","0.7288","synchrotron","","0.0439","0.0412","","","0.1098","0.1134","","","","","","1.025","","","","has coordinates","267084","2021-07-05","16:54:06",""
"1559772","19.158","0.0007","6.7794","0.0003","17.4666","0.0006","90","","109.362","0.001","90","","2140.25","0.14","200","2","200","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C54 H38 F8 N4 -","- C54 H38 F8 N4 -","- C108 H76 F16 N8 -","2","0.5","","Navarro-Huerta, Armando; Jellen, Marcus J.; Arcudia, Jessica; Teat, Simon J.; Toscano, Rubén A; Merino, Gabriel; Rodríguez-Molina, Braulio","Tailoring the cavities of hydrogen-bonded amphidynamic crystals using weak contacts: towards faster molecular machines.","Chemical science","2020","12","6","2181","2188","10.1039/d0sc05899h","","","0.7288","synchrotron","","0.0585","0.0542","","","0.1407","0.1462","","","","","","1.034","","","","has coordinates,has disorder","267084","2021-07-05","16:54:06",""
"1559773","6.6696","0.0002","14.9431","0.0005","21.3309","0.0007","90","","95.362","0.002","90","","2116.63","0.12","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C54 H38 F8 N4 -","- C54 H38 F8 N4 -","- C108 H76 F16 N8 -","2","0.5","","Navarro-Huerta, Armando; Jellen, Marcus J.; Arcudia, Jessica; Teat, Simon J.; Toscano, Rubén A; Merino, Gabriel; Rodríguez-Molina, Braulio","Tailoring the cavities of hydrogen-bonded amphidynamic crystals using weak contacts: towards faster molecular machines.","Chemical science","2020","12","6","2181","2188","10.1039/d0sc05899h","","","0.7288","synchrotron","","0.053","0.0492","","","0.1218","0.1266","","","","","","1.067","","","","has coordinates,has disorder","267084","2021-07-05","16:54:06",""
"1559774","6.7928","0.0004","14.5649","0.0008","21.3902","0.0012","90","","95.7754","0.0016","90","","2105.5","0.2","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C54 H38 F8 N4 -","- C54 H38 F8 N4 -","- C108 H76 F16 N8 -","2","0.5","","Navarro-Huerta, Armando; Jellen, Marcus J.; Arcudia, Jessica; Teat, Simon J.; Toscano, Rubén A; Merino, Gabriel; Rodríguez-Molina, Braulio","Tailoring the cavities of hydrogen-bonded amphidynamic crystals using weak contacts: towards faster molecular machines.","Chemical science","2020","12","6","2181","2188","10.1039/d0sc05899h","","","0.71073","MoKα","","0.1748","0.0596","","","0.1075","0.1391","","","","","","1.017","","","","has coordinates,has disorder","267084","2021-07-05","16:54:06",""
"1559775","6.6763","0.0005","15.0587","0.0011","21.4299","0.0015","90","","94.94","0.002","90","","2146.5","0.3","301","2","301","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C54 H38 F8 N4 -","- C54 H38 F8 N4 -","- C108 H76 F16 N8 -","2","0.5","","Navarro-Huerta, Armando; Jellen, Marcus J.; Arcudia, Jessica; Teat, Simon J.; Toscano, Rubén A; Merino, Gabriel; Rodríguez-Molina, Braulio","Tailoring the cavities of hydrogen-bonded amphidynamic crystals using weak contacts: towards faster molecular machines.","Chemical science","2020","12","6","2181","2188","10.1039/d0sc05899h","","","0.71073","MoKα","","0.1814","0.0542","","","0.0895","0.1229","","","","","","0.988","","","","has coordinates,has disorder","267084","2021-07-05","16:54:06",""
"1559776","6.657","0.0003","14.852","0.0006","21.2537","0.0008","90","","95.721","0.001","90","","2090.88","0.15","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C54 H37 F8 N4 -","- C54 H37 F8 N4 -","- C108 H74 F16 N8 -","2","0.5","","Navarro-Huerta, Armando; Jellen, Marcus J.; Arcudia, Jessica; Teat, Simon J.; Toscano, Rubén A; Merino, Gabriel; Rodríguez-Molina, Braulio","Tailoring the cavities of hydrogen-bonded amphidynamic crystals using weak contacts: towards faster molecular machines.","Chemical science","2020","12","6","2181","2188","10.1039/d0sc05899h","","","0.7288","synchrotron","","0.0507","0.0474","","","0.1231","0.1276","","","","","","1.066","","","","has coordinates,has disorder","267084","2021-07-05","16:54:06",""
"1559777","19.0865","0.0008","6.767","0.0003","17.3518","0.0007","90","","109.354","0.001","90","","2114.48","0.16","100","2","100","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C54 H38 F8 N4 -","- C54 H38 F8 N4 -","- C108 H76 F16 N8 -","2","1","","Navarro-Huerta, Armando; Jellen, Marcus J.; Arcudia, Jessica; Teat, Simon J.; Toscano, Rubén A; Merino, Gabriel; Rodríguez-Molina, Braulio","Tailoring the cavities of hydrogen-bonded amphidynamic crystals using weak contacts: towards faster molecular machines.","Chemical science","2020","12","6","2181","2188","10.1039/d0sc05899h","","","0.7288","synchrotron","","0.0391","0.0381","","","0.0991","0.1005","","","","","","1.045","","","","has coordinates","267084","2021-07-05","16:54:06",""
"1559778","6.6803","0.0002","15.0128","0.0005","21.3972","0.0007","90","","95.143","0.001","90","","2137.29","0.12","250","2","250","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C54 H38 F8 N4 -","- C54 H38 F8 N4 -","- C108 H76 F16 N8 -","2","0.5","","Navarro-Huerta, Armando; Jellen, Marcus J.; Arcudia, Jessica; Teat, Simon J.; Toscano, Rubén A; Merino, Gabriel; Rodríguez-Molina, Braulio","Tailoring the cavities of hydrogen-bonded amphidynamic crystals using weak contacts: towards faster molecular machines.","Chemical science","2020","12","6","2181","2188","10.1039/d0sc05899h","","","0.7288","synchrotron","","0.0652","0.0588","","","0.1355","0.1439","","","","","","1.068","","","","has coordinates,has disorder","267084","2021-07-05","16:54:06",""
"1559779","6.7657","0.0003","14.4934","0.0006","21.3307","0.001","90","","96.1667","0.0013","90","","2079.54","0.16","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C54 H38 F8 N4 -","- C54 H38 F8 N4 -","- C108 H76 F16 N8 -","2","0.5","","Navarro-Huerta, Armando; Jellen, Marcus J.; Arcudia, Jessica; Teat, Simon J.; Toscano, Rubén A; Merino, Gabriel; Rodríguez-Molina, Braulio","Tailoring the cavities of hydrogen-bonded amphidynamic crystals using weak contacts: towards faster molecular machines.","Chemical science","2020","12","6","2181","2188","10.1039/d0sc05899h","","","0.71073","MoKα","","0.0755","0.0613","","","0.143","0.1503","","","","","","1.131","","","","has coordinates,has disorder","267084","2021-07-05","16:54:06",""
"1559780","9.148","0.0004","22.6374","0.001","11.7158","0.0005","90","","105.813","0.002","90","","2334.37","0.18","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H29 N3 -","- C30 H29 N3 -","- C120 H116 N12 -","4","1","","Navarro-Huerta, Armando; Jellen, Marcus J.; Arcudia, Jessica; Teat, Simon J.; Toscano, Rubén A; Merino, Gabriel; Rodríguez-Molina, Braulio","Tailoring the cavities of hydrogen-bonded amphidynamic crystals using weak contacts: towards faster molecular machines.","Chemical science","2020","12","6","2181","2188","10.1039/d0sc05899h","","","0.7288","synchrotron","","0.047","0.0409","","","0.1089","0.1144","","","","","","1.027","","","","has coordinates","267084","2021-07-05","16:54:06",""
"1559781","19.1368","0.0008","6.7789","0.0003","17.4066","0.0008","90","","109.373","0.001","90","","2130.24","0.16","150","2","150","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C54 H38 F8 N4 -","- C54 H38 F8 N4 -","- C108 H76 F16 N8 -","2","0.5","","Navarro-Huerta, Armando; Jellen, Marcus J.; Arcudia, Jessica; Teat, Simon J.; Toscano, Rubén A; Merino, Gabriel; Rodríguez-Molina, Braulio","Tailoring the cavities of hydrogen-bonded amphidynamic crystals using weak contacts: towards faster molecular machines.","Chemical science","2020","12","6","2181","2188","10.1039/d0sc05899h","","","0.7288","synchrotron","","0.0606","0.0585","","","0.1458","0.1484","","","","","","1.045","","","","has coordinates,has disorder","267084","2021-07-05","16:54:06",""
"1559782","6.6613","0.0003","14.8875","0.0006","21.2797","0.0008","90","","95.554","0.002","90","","2100.4","0.15","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C54 H37 F8 N4 -","- C54 H37 F8 N4 -","- C108 H74 F16 N8 -","2","0.5","","Navarro-Huerta, Armando; Jellen, Marcus J.; Arcudia, Jessica; Teat, Simon J.; Toscano, Rubén A; Merino, Gabriel; Rodríguez-Molina, Braulio","Tailoring the cavities of hydrogen-bonded amphidynamic crystals using weak contacts: towards faster molecular machines.","Chemical science","2020","12","6","2181","2188","10.1039/d0sc05899h","","","0.7288","synchrotron","","0.0566","0.0526","","","0.1318","0.1376","","","","","","1.063","","","","has coordinates,has disorder","267084","2021-07-05","16:54:06",""
"1559783","19.2225","0.0009","6.7835","0.0003","17.5663","0.0008","90","","109.337","0.002","90","","2161.35","0.17","250","2","250","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C54 H38 F8 N4 -","- C54 H38 F8 N4 -","- C108 H76 F16 N8 -","2","0.5","","Navarro-Huerta, Armando; Jellen, Marcus J.; Arcudia, Jessica; Teat, Simon J.; Toscano, Rubén A; Merino, Gabriel; Rodríguez-Molina, Braulio","Tailoring the cavities of hydrogen-bonded amphidynamic crystals using weak contacts: towards faster molecular machines.","Chemical science","2020","12","6","2181","2188","10.1039/d0sc05899h","","","0.7288","synchrotron","","0.0609","0.0572","","","0.1497","0.1549","","","","","","1.049","","","","has coordinates,has disorder","267084","2021-07-05","16:54:06",""
"1559784","19.2767","0.0006","6.7799","0.0002","17.6615","0.0006","90","","109.29","0.001","90","","2178.67","0.12","301","2","301","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C54 H38 F8 N4 -","- C54 H38 F8 N4 -","- C108 H76 F16 N8 -","2","0.5","","Navarro-Huerta, Armando; Jellen, Marcus J.; Arcudia, Jessica; Teat, Simon J.; Toscano, Rubén A; Merino, Gabriel; Rodríguez-Molina, Braulio","Tailoring the cavities of hydrogen-bonded amphidynamic crystals using weak contacts: towards faster molecular machines.","Chemical science","2020","12","6","2181","2188","10.1039/d0sc05899h","","","0.7288","synchrotron","","0.0629","0.058","","","0.1585","0.1661","","","","","","1.048","","","","has coordinates,has disorder","267084","2021-07-05","16:54:06",""
"1559785","14.0331","0.0004","13.6998","0.0004","22.8049","0.0007","90","","107.555","0.001","90","","4180.1","0.2","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C54 H38 F8 N4 -","- C54 H38 F8 N4 -","- C216 H152 F32 N16 -","4","2","","Navarro-Huerta, Armando; Jellen, Marcus J.; Arcudia, Jessica; Teat, Simon J.; Toscano, Rubén A; Merino, Gabriel; Rodríguez-Molina, Braulio","Tailoring the cavities of hydrogen-bonded amphidynamic crystals using weak contacts: towards faster molecular machines.","Chemical science","2020","12","6","2181","2188","10.1039/d0sc05899h","","","0.7288","synchrotron","","0.0372","0.0355","","","0.0945","0.0965","","","","","","1.037","","","","has coordinates","267084","2021-07-05","16:54:06",""
"1559786","32.5994","0.0018","32.7694","0.0018","35.206","0.002","104.753","0.003","98.873","0.003","104.933","0.003","34154","3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H525 Ce4 Mo126 N21 Na4 O623 -","- C39 H44 Ce4 Mo126 N19.8 Na0.3 O525.336 -","- C78 H88 Ce8 Mo252 N39.6 Na0.6 O1050.67 -","2","1","","She, Shan; Xuan, Weimin; Bell, Nicola L.; Pow, Robert; Ribo, Eduard Garrido; Sinclair, Zoe; Long, De-Liang; Cronin, Leroy","Peptide sequence mediated self-assembly of molybdenum blue nanowheel superstructures.","Chemical science","2020","12","7","2427","2432","10.1039/d0sc06098d","","","0.71073","MoKα","","0.1904","0.1058","","","0.2596","0.3433","","","","","","1.014","","","","has coordinates,has disorder","267090","2021-07-05","16:56:20",""
"1559787","34.8531","0.0017","45.172","0.002","20.9243","0.001","90","","90","","90","","32943","3","150","2","150","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C36 H521 Ce4 Mo124 N16 Na3 O616 -","- C36 H60 Ce4 Mo124 N16 O512.6 -","- C72 H120 Ce8 Mo248 N32 O1025.2 -","2","0.5","","She, Shan; Xuan, Weimin; Bell, Nicola L.; Pow, Robert; Ribo, Eduard Garrido; Sinclair, Zoe; Long, De-Liang; Cronin, Leroy","Peptide sequence mediated self-assembly of molybdenum blue nanowheel superstructures.","Chemical science","2020","12","7","2427","2432","10.1039/d0sc06098d","","","0.71073","MoKα","","0.0891","0.0593","","","0.1424","0.1622","","","","","","1.028","","","","has coordinates,has disorder","267090","2021-07-05","16:56:20",""
"1559788","34.884","0.005","45.668","0.006","20.929","0.003","90","","90","","90","","33342","8","150","2","150","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C36 H531 Ce4 Mo124 N16 Na3 O617 -","- C36 H60 Ce4 Mo124 N16 O486.4 -","- C72 H120 Ce8 Mo248 N32 O972.8 -","2","0.5","","She, Shan; Xuan, Weimin; Bell, Nicola L.; Pow, Robert; Ribo, Eduard Garrido; Sinclair, Zoe; Long, De-Liang; Cronin, Leroy","Peptide sequence mediated self-assembly of molybdenum blue nanowheel superstructures.","Chemical science","2020","12","7","2427","2432","10.1039/d0sc06098d","","","0.71073","MoKα","","0.0959","0.0686","","","0.1726","0.2051","","","","","","1.093","","","","has coordinates,has disorder","267090","2021-07-05","16:56:20",""
"1559789","32.444","0.003","32.749","0.004","35.233","0.004","104.665","0.006","98.814","0.006","104.742","0.006","34063","7","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H535 Ce4 Mo126 N24 Na3 O626 -","- C43.2 H45.6 Ce3.8 Mo125.834 N21 Na0.85 O515.35 -","- C86.4 H91.2 Ce7.6 Mo251.669 N42 Na1.7 O1030.7 -","2","1","","She, Shan; Xuan, Weimin; Bell, Nicola L.; Pow, Robert; Ribo, Eduard Garrido; Sinclair, Zoe; Long, De-Liang; Cronin, Leroy","Peptide sequence mediated self-assembly of molybdenum blue nanowheel superstructures.","Chemical science","2020","12","7","2427","2432","10.1039/d0sc06098d","","","0.71073","MoKα","","0.1479","0.0887","","","0.2247","0.2931","","","","","","1.106","","","","has coordinates,has disorder","267090","2021-07-05","16:56:20",""
"1559790","34.6572","0.0014","45.43","0.0018","20.9741","0.0008","90","","90","","90","","33023","2","150","2","150","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C40 H516 Ce4 Mo124 N20 Na2 O610 -","- C32 H52 Ce4 Mo124 N16 O452 -","- C64 H104 Ce8 Mo248 N32 O904 -","2","0.5","","She, Shan; Xuan, Weimin; Bell, Nicola L.; Pow, Robert; Ribo, Eduard Garrido; Sinclair, Zoe; Long, De-Liang; Cronin, Leroy","Peptide sequence mediated self-assembly of molybdenum blue nanowheel superstructures.","Chemical science","2020","12","7","2427","2432","10.1039/d0sc06098d","","","0.71073","MoKα","","0.0336","0.0285","","","0.0678","0.0714","","","","","","1.022","","","","has coordinates","267090","2021-07-05","16:56:20",""
"1559791","38.1062","0.0017","38.2685","0.0016","46.9136","0.0019","90","","90","","90","","68413","5","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C40 H535 Ce5 Mo122 N20 Na2 O616 -","- C35 H48 Ce5 Mo122 N17.5 O507.25 -","- C140 H192 Ce20 Mo488 N70 O2029 -","4","1","","She, Shan; Xuan, Weimin; Bell, Nicola L.; Pow, Robert; Ribo, Eduard Garrido; Sinclair, Zoe; Long, De-Liang; Cronin, Leroy","Peptide sequence mediated self-assembly of molybdenum blue nanowheel superstructures.","Chemical science","2020","12","7","2427","2432","10.1039/d0sc06098d","","","0.71073","MoKα","","0.1091","0.0766","","","0.1927","0.2314","","","","","","1.086","","","","has coordinates,has disorder","267090","2021-07-05","16:56:20",""
"1559792","9.10295","0.00012","9.10295","0.00012","9.10295","0.00012","90","","90","","90","","754.304","0.017","100","0.1","100","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- B6.001 H14.002 N2 -","- B6 H14.0002 N2.00016 -","- B24 H56.0006 N8.00064 -","4","0.0208333","","Kleemiss, Florian; Dolomanov, Oleg V.; Bodensteiner, Michael; Peyerimhoff, Norbert; Midgley, Laura; Bourhis, Luc J.; Genoni, Alessandro; Malaspina, Lorraine A.; Jayatilaka, Dylan; Spencer, John L.; White, Fraser; Grundkötter-Stock, Bernhard; Steinhauer, Simon; Lentz, Dieter; Puschmann, Horst; Grabowsky, Simon","Accurate crystal structures and chemical properties from NoSpherA2.","Chemical science","2020","12","5","1675","1692","10.1039/d0sc05526c","","x-ray","0.71073","MoKα","","0.0105","0.0095","","","0.0234","0.0236","","","","","","0.9106","","","","has coordinates","267059","2021-07-05","16:48:19",""
"1559793","5.45095","0.00005","5.45095","0.00005","5.45095","0.00005","90","","90","","90","","161.963","0.003","100","1","99.97","0.1","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Ca F2 -","- Ca0.99984 F2.00016 -","- Ca3.99936 F8.00064 -","4","0.0208333","","Kleemiss, Florian; Dolomanov, Oleg V.; Bodensteiner, Michael; Peyerimhoff, Norbert; Midgley, Laura; Bourhis, Luc J.; Genoni, Alessandro; Malaspina, Lorraine A.; Jayatilaka, Dylan; Spencer, John L.; White, Fraser; Grundkötter-Stock, Bernhard; Steinhauer, Simon; Lentz, Dieter; Puschmann, Horst; Grabowsky, Simon","Accurate crystal structures and chemical properties from NoSpherA2.","Chemical science","2020","12","5","1675","1692","10.1039/d0sc05526c","","x-ray","0.56087","AgKα","","0.0114","0.0114","","","0.0279","0.0279","","","","","","1.0864","","","","has coordinates","267059","2021-07-05","16:48:19",""
"1559794","5.9279","0.001","12.2597","0.0017","5.7939","0.0009","90","","90","","90","","421.07","0.11","23","","23","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Kleemiss, Florian; Dolomanov, Oleg V.; Bodensteiner, Michael; Peyerimhoff, Norbert; Midgley, Laura; Bourhis, Luc J.; Genoni, Alessandro; Malaspina, Lorraine A.; Jayatilaka, Dylan; Spencer, John L.; White, Fraser; Grundkötter-Stock, Bernhard; Steinhauer, Simon; Lentz, Dieter; Puschmann, Horst; Grabowsky, Simon","Accurate crystal structures and chemical properties from NoSpherA2.","Chemical science","2020","12","5","1675","1692","10.1039/d0sc05526c","","x-ray","0.71073","MoKα","","0.0196","0.0196","","","0.0332","0.0332","","","","","","1.2147","","","","has coordinates","267059","2021-07-05","16:48:19",""
"1559795","16.2023","0.0011","16.2023","0.0011","5.6943","0.0004","90","","90","","120","","1294.57","0.15","100","2","100","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C6.286 H6 O2.57 -","- C6.285 H6 O2.57 -","- C56.565 H54 O23.13 -","9","0.5","","Kleemiss, Florian; Dolomanov, Oleg V.; Bodensteiner, Michael; Peyerimhoff, Norbert; Midgley, Laura; Bourhis, Luc J.; Genoni, Alessandro; Malaspina, Lorraine A.; Jayatilaka, Dylan; Spencer, John L.; White, Fraser; Grundkötter-Stock, Bernhard; Steinhauer, Simon; Lentz, Dieter; Puschmann, Horst; Grabowsky, Simon","Accurate crystal structures and chemical properties from NoSpherA2.","Chemical science","2020","12","5","1675","1692","10.1039/d0sc05526c","","","0.71073","MoKα","","0.0162","0.0145","","","0.0332","0.0338","","","","","","1.1216","","","","has coordinates","267059","2021-07-05","16:48:19",""
"1559796","7.4583","0.0004","9.4892","0.0007","9.7301","0.0006","90","","90","","90","","688.63","0.08","12","2","12","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Glycil-L-Alanine","Glycil-L-Alanine","","- C5 H10 N2 O3 -","- C5 H10 N2 O3 -","- C20 H40 N8 O12 -","4","1","","Kleemiss, Florian; Dolomanov, Oleg V.; Bodensteiner, Michael; Peyerimhoff, Norbert; Midgley, Laura; Bourhis, Luc J.; Genoni, Alessandro; Malaspina, Lorraine A.; Jayatilaka, Dylan; Spencer, John L.; White, Fraser; Grundkötter-Stock, Bernhard; Steinhauer, Simon; Lentz, Dieter; Puschmann, Horst; Grabowsky, Simon","Accurate crystal structures and chemical properties from NoSpherA2.","Chemical science","2020","12","5","1675","1692","10.1039/d0sc05526c","","","0.5259","synchrotron","","0.0158","0.0158","","","0.0308","0.0308","","","","","","1.2843","","","","has coordinates","267059","2021-07-05","16:48:19",""
"1559797","6.9196","0.0001","14.5749","0.0002","9.7248","0.0001","90","","90.637","0.001","90","","980.71","0.02","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 F2 N4 -","- C10 H10 F2 N4 -","- C40 H40 F8 N16 -","4","1","","Kleemiss, Florian; Dolomanov, Oleg V.; Bodensteiner, Michael; Peyerimhoff, Norbert; Midgley, Laura; Bourhis, Luc J.; Genoni, Alessandro; Malaspina, Lorraine A.; Jayatilaka, Dylan; Spencer, John L.; White, Fraser; Grundkötter-Stock, Bernhard; Steinhauer, Simon; Lentz, Dieter; Puschmann, Horst; Grabowsky, Simon","Accurate crystal structures and chemical properties from NoSpherA2.","Chemical science","2020","12","5","1675","1692","10.1039/d0sc05526c","","","0.71073","MoKα","","0.0288","0.0214","","","0.0454","0.0483","","","","","","1.0794","","","","has coordinates,has disorder","267059","2021-07-05","16:48:19",""
"1559798","10.8918","0.0001","13.7619","0.0001","17.0714","0.0002","90","","98.563","0.001","90","","2530.34","0.04","120","0.1","120","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H44 Os P2 -","- C24 H44 Os P2 -","- C96 H176 Os4 P8 -","4","1","","Kleemiss, Florian; Dolomanov, Oleg V.; Bodensteiner, Michael; Peyerimhoff, Norbert; Midgley, Laura; Bourhis, Luc J.; Genoni, Alessandro; Malaspina, Lorraine A.; Jayatilaka, Dylan; Spencer, John L.; White, Fraser; Grundkötter-Stock, Bernhard; Steinhauer, Simon; Lentz, Dieter; Puschmann, Horst; Grabowsky, Simon","Accurate crystal structures and chemical properties from NoSpherA2.","Chemical science","2020","12","5","1675","1692","10.1039/d0sc05526c","","x-ray","0.71073","MoKα","","0.0143","0.0119","","","0.0185","0.0189","","","","","","1.0722","","","","has coordinates","267059","2021-07-05","16:48:19",""
"1559814","6.1281","0.0002","27.1638","0.0005","28.2117","0.0007","90","","91.472","0.002","90","","4694.6","0.2","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Benzyl 3-(((4S,5R)-2-oxo-4,5-diphenyloxazolidin-3-yl)methyl)pentanoate","","- C28 H29 N O4 -","- C28 H29 N O4 -","- C224 H232 N8 O32 -","8","4","","Huang, Qi; Suravarapu, Sankar Rao; Renaud, Philippe","A Giese reaction for electron-rich alkenes.","Chemical science","2020","12","6","2225","2230","10.1039/d0sc06341j","","x-ray","1.54184","CuKα","","0.0692","0.0553","","","0.1294","0.137","","","","","","1.037","","","","has coordinates","275856","2022-06-07","07:08:28",""
"1559815","6.44725","0.00004","10.18619","0.00006","22.76512","0.00012","101.785","0.0005","91.4615","0.0005","98.5773","0.0005","1444.75","0.015","173","0.1","173","0.1","","","","","","","","4","P 1","P 1","1","","Ethyl 2-((8R,9S,13S,14S,16S,17S)-17-((tert-butyldimethylsilyl)oxy)-3-methoxy- 13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-16-yl)acetate","","- C29 H46 O4 Si -","- C29 H46 O4 Si -","- C58 H92 O8 Si2 -","2","2","","Huang, Qi; Suravarapu, Sankar Rao; Renaud, Philippe","A Giese reaction for electron-rich alkenes.","Chemical science","2020","12","6","2225","2230","10.1039/d0sc06341j","","x-ray","1.54184","CuKα","","0.0528","0.0501","","","0.138","0.1512","","","","","","1.081","","","","has coordinates","267083","2021-07-05","16:53:39",""
"1559816","6.1518","0.00006","60.5855","0.0006","6.15597","0.00007","90","","106.532","0.0011","90","","2199.54","0.04","90","0.9","90","0.9","","","","","","","","3","P 1 21 1","P 2yb","4","","(3S,8S,9S,10R,13S,14S,17S)-10,13-Dimethyl-17-((R)-5-oxotetrahydrofuran-2-yl)-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate","","- C25 H36 O4 -","- C25 H36 O4 -","- C100 H144 O16 -","4","2","","Huang, Qi; Suravarapu, Sankar Rao; Renaud, Philippe","A Giese reaction for electron-rich alkenes.","Chemical science","2020","12","6","2225","2230","10.1039/d0sc06341j","","x-ray","1.54184","CuKα","","0.0486","0.0455","","","0.1155","0.1192","","","","","","1.035","","","","has coordinates","267083","2021-07-05","16:53:39",""
"1559817","11.5844","0.0005","12.7186","0.0005","19.132","0.0007","86.186","0.003","77.9","0.003","80.916","0.003","2720.03","0.19","100","0.3","100","0.3","","","","","","","","6","P -1","-P 1","2","","","","- C59 H46 B F21 Mg N2 -","- C59 H46 B F21 Mg N2 -","- C118 H92 B2 F42 Mg2 N4 -","2","1","","Friedrich, Alexander; Pahl, Jürgen; Eyselein, Jonathan; Langer, Jens; van Eikema Hommes, Nico; Görling, Andreas; Harder, Sjoerd","Magnesium-halobenzene bonding: mapping the halogen sigma-hole with a Lewis-acidic complex.","Chemical science","2020","12","7","2410","2418","10.1039/d0sc06321e","","x-ray","0.71073","MoKα","","0.0828","0.0535","","","0.1172","0.1324","","","","","","1.057","","","","has coordinates","267093","2021-07-05","16:57:10",""
"1559818","18.6127","0.0003","17.9643","0.0002","18.7424","0.0003","90","","102.994","0.0014","90","","6106.32","0.16","100","0.3","100","0.3","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C65 H58 B Br F20 Mg N2 -","- C65 H58 B Br F20 Mg N2 -","- C260 H232 B4 Br4 F80 Mg4 N8 -","4","1","","Friedrich, Alexander; Pahl, Jürgen; Eyselein, Jonathan; Langer, Jens; van Eikema Hommes, Nico; Görling, Andreas; Harder, Sjoerd","Magnesium-halobenzene bonding: mapping the halogen sigma-hole with a Lewis-acidic complex.","Chemical science","2020","12","7","2410","2418","10.1039/d0sc06321e","","x-ray","1.54184","CuKα","","0.0321","0.0298","","","0.0735","0.0751","","","","","","1.026","","","","has coordinates","267093","2021-07-05","16:57:10",""
"1559819","18.3734","0.0001","18.0983","0.0001","19.7295","0.0001","90","","98.061","0.001","90","","6495.77","0.06","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C71 H63 B F22 Mg N2 -","- C71 H63 B F22 Mg N2 -","- C284 H252 B4 F88 Mg4 N8 -","4","1","","Friedrich, Alexander; Pahl, Jürgen; Eyselein, Jonathan; Langer, Jens; van Eikema Hommes, Nico; Görling, Andreas; Harder, Sjoerd","Magnesium-halobenzene bonding: mapping the halogen sigma-hole with a Lewis-acidic complex.","Chemical science","2020","12","7","2410","2418","10.1039/d0sc06321e","","x-ray","1.54184","CuKα","","0.0352","0.0307","","","0.0773","0.0792","","","","","","1.022","","","","has coordinates,has disorder","267093","2021-07-05","16:57:10",""
"1559820","11.3521","0.0003","15.9191","0.0005","24.738","0.0007","74.924","0.003","85.545","0.002","89.29","0.002","4303.5","0.2","100","0.6","100","0.6","","","","","","","","7","P -1","-P 1","2","","","","- C71 H63 Al2 F57 Mg N2 O6 -","- C71 H63 Al2 F57 Mg N2 O6 -","- C142 H126 Al4 F114 Mg2 N4 O12 -","2","1","","Friedrich, Alexander; Pahl, Jürgen; Eyselein, Jonathan; Langer, Jens; van Eikema Hommes, Nico; Görling, Andreas; Harder, Sjoerd","Magnesium-halobenzene bonding: mapping the halogen sigma-hole with a Lewis-acidic complex.","Chemical science","2020","12","7","2410","2418","10.1039/d0sc06321e","","x-ray","1.54184","CuKα","","0.0452","0.04","","","0.1001","0.1046","","","","","","1.024","","","","has coordinates,has disorder","267093","2021-07-05","16:57:10",""
"1559821","12.2177","0.0003","15.9583","0.0005","17.8965","0.0005","102.494","0.003","106.268","0.002","96.734","0.002","3210.89","0.17","100","0.2","100","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C71 H56 B F23 Mg N2 -","- C71 H56 B F23 Mg N2 -","- C142 H112 B2 F46 Mg2 N4 -","2","1","","Friedrich, Alexander; Pahl, Jürgen; Eyselein, Jonathan; Langer, Jens; van Eikema Hommes, Nico; Görling, Andreas; Harder, Sjoerd","Magnesium-halobenzene bonding: mapping the halogen sigma-hole with a Lewis-acidic complex.","Chemical science","2020","12","7","2410","2418","10.1039/d0sc06321e","","x-ray","1.54184","CuKα","","0.0462","0.0403","","","0.102","0.1069","","","","","","1.052","","","","has coordinates,has disorder","267093","2021-07-05","16:57:10",""
"1559822","18.7237","0.0005","18.0226","0.0004","18.7649","0.0005","90","","102.692","0.003","90","","6177.5","0.3","100.02","0.16","100.02","0.16","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C65 H58 B F20 I Mg N2 -","- C65 H58 B F20 I Mg N2 -","- C260 H232 B4 F80 I4 Mg4 N8 -","4","1","","Friedrich, Alexander; Pahl, Jürgen; Eyselein, Jonathan; Langer, Jens; van Eikema Hommes, Nico; Görling, Andreas; Harder, Sjoerd","Magnesium-halobenzene bonding: mapping the halogen sigma-hole with a Lewis-acidic complex.","Chemical science","2020","12","7","2410","2418","10.1039/d0sc06321e","","x-ray","0.71073","MoKα","","0.0569","0.0388","","","0.0844","0.0927","","","","","","1.021","","","","has coordinates","267093","2021-07-05","16:57:10",""
"1559823","15.8604","0.0011","11.0803","0.0008","9.0716","0.0006","90","","109.9","0.002","90","","1499.03","0.18","185","2","185.01","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C20 H14 N4 -","- C20 H14 N4 -","- C80 H56 N16 -","4","0.5","","Bai, Sha; Ma, Li-Li; Yang, Tao; Wang, Fang; Wang, Li-Feng; Hahn, F. Ekkehardt; Wang, Yao-Yu; Han, Ying-Feng","Supramolecular-induced regiocontrol over the photochemical [4 + 4] cyclodimerization of NHC- or azole-substituted anthracenes.","Chemical science","2020","12","6","2165","2171","10.1039/d0sc06017h","","","0.71073","MoKα","","0.0502","0.0393","","","0.1014","0.1105","","","","","","1.073","","","","has coordinates","267086","2021-07-05","16:54:54",""
"1559824","8.895","0.0008","12.069","0.001","15.1617","0.0015","103.06","0.003","94.575","0.003","103.138","0.003","1529.2","0.2","180","2","180.01","","","","","","","","","5","P -1","-P 1","2","","","","- C56 H64 F24 N8 P4 -","- C56 H64 F24 N8 P4 -","- C56 H64 F24 N8 P4 -","1","0.5","","Bai, Sha; Ma, Li-Li; Yang, Tao; Wang, Fang; Wang, Li-Feng; Hahn, F. Ekkehardt; Wang, Yao-Yu; Han, Ying-Feng","Supramolecular-induced regiocontrol over the photochemical [4 + 4] cyclodimerization of NHC- or azole-substituted anthracenes.","Chemical science","2020","12","6","2165","2171","10.1039/d0sc06017h","","","0.71073","MoKα","","0.1146","0.0814","","","0.203","0.2294","","","","","","1.046","","","","has coordinates,has disorder","267086","2021-07-05","16:54:54",""
"1559825","17.127","0.0009","8.8196","0.0004","21.3425","0.0012","90","","103.355","0.002","90","","3136.7","0.3","153","2","153.01","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C56 H64 F24 N8 P4 -","- C56 H64 F24 N8 P4 -","- C112 H128 F48 N16 P8 -","2","0.5","","Bai, Sha; Ma, Li-Li; Yang, Tao; Wang, Fang; Wang, Li-Feng; Hahn, F. Ekkehardt; Wang, Yao-Yu; Han, Ying-Feng","Supramolecular-induced regiocontrol over the photochemical [4 + 4] cyclodimerization of NHC- or azole-substituted anthracenes.","Chemical science","2020","12","6","2165","2171","10.1039/d0sc06017h","","","0.71073","MoKα","","0.093","0.0634","","","0.1539","0.1767","","","","","","1.035","","","","has coordinates,has disorder","267086","2021-07-05","16:54:54",""
"1559826","8.9095","0.0004","41.3302","0.0017","26.6661","0.0011","90","","90","","90","","9819.3","0.7","200","2","200.02","","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C104 H100 Ag2 B2 N8 -","- C104 H100 Ag2 B2 N8 -","- C416 H400 Ag8 B8 N32 -","4","0.5","","Bai, Sha; Ma, Li-Li; Yang, Tao; Wang, Fang; Wang, Li-Feng; Hahn, F. Ekkehardt; Wang, Yao-Yu; Han, Ying-Feng","Supramolecular-induced regiocontrol over the photochemical [4 + 4] cyclodimerization of NHC- or azole-substituted anthracenes.","Chemical science","2020","12","6","2165","2171","10.1039/d0sc06017h","","","0.71073","MoKα","","0.0453","0.0361","","","0.087","0.0931","","","","","","1.051","","","","has coordinates,has disorder","267086","2021-07-05","16:54:54",""
"1559827","8.0294","0.0008","19.1408","0.0016","19.9693","0.0018","90","","94.97","0.003","90","","3057.5","0.5","150","2","150.01","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C61.5 H44.5 F10.5 N9 O11.5 S3.5 -","- C61.5 H44.5 F10.5 N9 O11.5 S3.5 -","- C123 H89 F21 N18 O23 S7 -","2","0.5","","Bai, Sha; Ma, Li-Li; Yang, Tao; Wang, Fang; Wang, Li-Feng; Hahn, F. Ekkehardt; Wang, Yao-Yu; Han, Ying-Feng","Supramolecular-induced regiocontrol over the photochemical [4 + 4] cyclodimerization of NHC- or azole-substituted anthracenes.","Chemical science","2020","12","6","2165","2171","10.1039/d0sc06017h","","","0.71073","MoKα","","0.0988","0.0686","","","0.1876","0.2131","","","","","","1.05","","","","has coordinates,has disorder","267086","2021-07-05","16:54:54",""
"1559828","9.2542","0.0012","15.7442","0.0018","9.9997","0.0013","90","","94.804","0.004","90","","1451.8","0.3","150","2","150","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C40 H28 N8 -","- C40 H28 N8 -","- C80 H56 N16 -","2","0.5","","Bai, Sha; Ma, Li-Li; Yang, Tao; Wang, Fang; Wang, Li-Feng; Hahn, F. Ekkehardt; Wang, Yao-Yu; Han, Ying-Feng","Supramolecular-induced regiocontrol over the photochemical [4 + 4] cyclodimerization of NHC- or azole-substituted anthracenes.","Chemical science","2020","12","6","2165","2171","10.1039/d0sc06017h","","","0.71073","MoKα","","0.0483","0.038","","","0.0905","0.0977","","","","","","1.058","","","","has coordinates","267086","2021-07-05","16:54:54",""
"1559829","6.4661","0.0011","8.1703","0.0013","10.3854","0.0017","69.264","0.005","78.354","0.005","79.8","0.006","499.2","0.14","180","2","179.98","","","","","","","","","3","P -1","-P 1","2","","","","- C28 H18 N4 -","- C28 H18 N4 -","- C28 H18 N4 -","1","0.5","","Bai, Sha; Ma, Li-Li; Yang, Tao; Wang, Fang; Wang, Li-Feng; Hahn, F. Ekkehardt; Wang, Yao-Yu; Han, Ying-Feng","Supramolecular-induced regiocontrol over the photochemical [4 + 4] cyclodimerization of NHC- or azole-substituted anthracenes.","Chemical science","2020","12","6","2165","2171","10.1039/d0sc06017h","","","0.71073","MoKα","","0.0638","0.0588","","","0.1394","0.1432","","","","","","1.104","","","","has coordinates","267086","2021-07-05","16:54:54",""
"1559845","21.6511","0.0004","21.3564","0.0004","22.0916","0.0004","90","","90","","90","","10214.9","0.3","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C189 H28 S10 Th2 -","- C189 H28 S10.008 Th2 -","- C756 H112 S40.032 Th8 -","4","0.5","","Liu, Xinye; Li, Bo; Yang, Wei; Yao, Yang-Rong; Yang, Le; Zhuang, Jiaxin; Li, Xiaomeng; Jin, Peng; Chen, Ning","Synthesis and characterization of carbene derivatives of Th@<i>C</i> <sub>3v</sub>(8)-C<sub>82</sub> and U@<i>C</i> <sub>2v</sub>(9)-C<sub>82</sub>: exceptional chemical properties induced by strong actinide-carbon cage interaction.","Chemical science","2020","12","7","2488","2497","10.1039/d0sc06111e","","","1.54178","CuKα","","0.0305","0.0289","","","0.0748","0.0761","","","","","","1.06","","","","has coordinates,has disorder","267091","2021-07-05","16:56:32",""
"1559846","11.3037","0.0007","21.8879","0.0012","20.9098","0.0013","90","","101.257","0.003","90","","5073.9","0.5","120","2","119.99","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C93 H14 S2 U -","- C93 H14 S2 U -","- C372 H56 S8 U4 -","4","1","","Liu, Xinye; Li, Bo; Yang, Wei; Yao, Yang-Rong; Yang, Le; Zhuang, Jiaxin; Li, Xiaomeng; Jin, Peng; Chen, Ning","Synthesis and characterization of carbene derivatives of Th@<i>C</i> <sub>3v</sub>(8)-C<sub>82</sub> and U@<i>C</i> <sub>2v</sub>(9)-C<sub>82</sub>: exceptional chemical properties induced by strong actinide-carbon cage interaction.","Chemical science","2020","12","7","2488","2497","10.1039/d0sc06111e","","","1.54178","CuKα","","0.1287","0.0957","","","0.2438","0.2823","","","","","","1.05","","","","has coordinates","267091","2021-07-05","16:56:32",""
"1559850","16.6461","0.0014","17.2299","0.0016","24.132","0.002","90","","102.636","0.004","90","","6753.7","1","173","","173","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C37 H38 B2 Fe N10 -","- C34.888 H35.888 B2 Fe N10 -","- C279.104 H287.104 B16 Fe8 N80 -","8","1","","Nurdin, Lucie; Yang, Yan; Neate, Peter G. N.; Piers, Warren E.; Maron, Laurent; Neidig, Michael L.; Lin, Jian-Bin; Gelfand, Benjamin S.","Activation of ammonia and hydrazine by electron rich Fe(ii) complexes supported by a dianionic pentadentate ligand platform through a common terminal Fe(iii) amido intermediate.","Chemical science","2020","12","6","2231","2241","10.1039/d0sc06466a","","","1.54178","CuKα","","0.0937","0.0441","","","0.1222","0.1395","","","","","","1.057","","","","has coordinates,has disorder","267085","2021-07-05","16:54:27",""
"1559851","12.5636","0.0009","13.684","0.001","20.5835","0.0017","98.128","0.005","100.359","0.005","115.218","0.005","3053.3","0.4","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C65 H63 B4 Fe2 N20 -","- C65 H63 B4 Fe2 N20 -","- C130 H126 B8 Fe4 N40 -","2","1","","Nurdin, Lucie; Yang, Yan; Neate, Peter G. N.; Piers, Warren E.; Maron, Laurent; Neidig, Michael L.; Lin, Jian-Bin; Gelfand, Benjamin S.","Activation of ammonia and hydrazine by electron rich Fe(ii) complexes supported by a dianionic pentadentate ligand platform through a common terminal Fe(iii) amido intermediate.","Chemical science","2020","12","6","2231","2241","10.1039/d0sc06466a","","","1.54178","CuKα","","0.0888","0.0546","","","0.1325","0.1502","","","","","","1.036","","","","has coordinates","267085","2021-07-05","16:54:29",""
"1559852","11.98","0.0002","25.1657","0.0005","14.4893","0.0003","90","","114.204","0.001","90","","3984.3","0.14","173","","173","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C37 H38 B2 F6 Fe N10 Sb -","- C37 H38 B2 F6 Fe N10 Sb -","- C148 H152 B8 F24 Fe4 N40 Sb4 -","4","1","","Nurdin, Lucie; Yang, Yan; Neate, Peter G. N.; Piers, Warren E.; Maron, Laurent; Neidig, Michael L.; Lin, Jian-Bin; Gelfand, Benjamin S.","Activation of ammonia and hydrazine by electron rich Fe(ii) complexes supported by a dianionic pentadentate ligand platform through a common terminal Fe(iii) amido intermediate.","Chemical science","2020","12","6","2231","2241","10.1039/d0sc06466a","","","1.54178","CuKα","","0.0593","0.0447","","","0.1117","0.1195","","","","","","1.04","","","","has coordinates","267085","2021-07-05","16:54:38",""
"1559853","10.252","0.005","12.025","0.005","18.4","0.008","104.192","0.005","92.618","0.005","112.901","0.005","2000.4","1.6","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H41 B2 Br Fe N9 -","- C43 H41 B2 Br Fe N9 -","- C86 H82 B4 Br2 Fe2 N18 -","2","1","","Nurdin, Lucie; Yang, Yan; Neate, Peter G. N.; Piers, Warren E.; Maron, Laurent; Neidig, Michael L.; Lin, Jian-Bin; Gelfand, Benjamin S.","Activation of ammonia and hydrazine by electron rich Fe(ii) complexes supported by a dianionic pentadentate ligand platform through a common terminal Fe(iii) amido intermediate.","Chemical science","2020","12","6","2231","2241","10.1039/d0sc06466a","","","0.71073","MoKα","","0.1238","0.0521","","","0.0779","0.0964","","","","","","0.997","","","","has coordinates","267085","2021-07-05","16:54:38",""
"1559854","8.245","0.0004","19.3287","0.001","18.0484","0.0009","90","","90","","90","","2876.3","0.2","173","","173","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C31 H29 B2 F Fe N9 -","- C31 H29 B2 F Fe N9 -","- C124 H116 B8 F4 Fe4 N36 -","4","0.5","","Nurdin, Lucie; Yang, Yan; Neate, Peter G. N.; Piers, Warren E.; Maron, Laurent; Neidig, Michael L.; Lin, Jian-Bin; Gelfand, Benjamin S.","Activation of ammonia and hydrazine by electron rich Fe(ii) complexes supported by a dianionic pentadentate ligand platform through a common terminal Fe(iii) amido intermediate.","Chemical science","2020","12","6","2231","2241","10.1039/d0sc06466a","","","0.71073","MoKα","","0.0657","0.0432","","","0.1125","0.1285","","","","","","1.073","","","","has coordinates","267085","2021-07-05","16:54:38",""
"1559855","18.7182","0.0007","24.1607","0.0011","23.662","0.0009","90","","98.957","0.003","90","","10570.5","0.7","173","","173","","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C45 H50 B2 Fe N10 O -","- C45 H50 B2 Fe N10 O -","- C360 H400 B16 Fe8 N80 O8 -","8","2","","Nurdin, Lucie; Yang, Yan; Neate, Peter G. N.; Piers, Warren E.; Maron, Laurent; Neidig, Michael L.; Lin, Jian-Bin; Gelfand, Benjamin S.","Activation of ammonia and hydrazine by electron rich Fe(ii) complexes supported by a dianionic pentadentate ligand platform through a common terminal Fe(iii) amido intermediate.","Chemical science","2020","12","6","2231","2241","10.1039/d0sc06466a","","","1.54178","CuKα","","0.0915","0.0677","","","0.1758","0.1953","","","","","","1.029","","","","has coordinates,has disorder","267085","2021-07-05","16:54:38",""
"1559856","9.294","0.0005","15.3277","0.0007","11.7365","0.0005","90","","107.92","0.002","90","","1590.82","0.13","100","2","100","2","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C30 H50 B2 N2 Ni O2 P2 -","- C30 H49.532 B2 N2 Ni O2 P2 -","- C60 H99.064 B4 N4 Ni2 O4 P4 -","2","1","","Ríos, Pablo; Borge, Javier; Fernández de Córdova, Francisco; Sciortino, Giuseppe; Lledós, Agustí; Rodríguez, Amor","Ambiphilic boryl groups in a neutral Ni(ii) complex: a new activation mode of H<sub>2</sub>.","Chemical science","2020","12","7","2540","2548","10.1039/d0sc06014c","","","0.56087","AgKα","","0.0504","0.0425","","","0.0988","0.1029","","","","","","1.053","","","","has coordinates,has disorder","267094","2021-07-05","16:57:21",""
"1559857","9.273","0.002","18.201","0.004","11.69","0.003","90","","106.121","0.008","90","","1895.4","0.8","208","","208","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H24 B2 N2 O4 -","- C20 H24 B2 N2 O4 -","- C80 H96 B8 N8 O16 -","4","1","","Ríos, Pablo; Borge, Javier; Fernández de Córdova, Francisco; Sciortino, Giuseppe; Lledós, Agustí; Rodríguez, Amor","Ambiphilic boryl groups in a neutral Ni(ii) complex: a new activation mode of H<sub>2</sub>.","Chemical science","2020","12","7","2540","2548","10.1039/d0sc06014c","","","0.71073","MoKα","","0.0702","0.0522","","","0.1393","0.1548","","","","","","1.047","","","","has coordinates","267094","2021-07-05","16:57:21",""
"1559858","17.5213","0.0007","20.1284","0.0007","12.3444","0.0005","90","","90","","90","","4353.6","0.3","193","","193","","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C36 H55 B2 N3 Ni O4 P2 -","- C36 H55 B2 N3 Ni O4 P2 -","- C144 H220 B8 N12 Ni4 O16 P8 -","4","1","","Ríos, Pablo; Borge, Javier; Fernández de Córdova, Francisco; Sciortino, Giuseppe; Lledós, Agustí; Rodríguez, Amor","Ambiphilic boryl groups in a neutral Ni(ii) complex: a new activation mode of H<sub>2</sub>.","Chemical science","2020","12","7","2540","2548","10.1039/d0sc06014c","","","0.71073","MoKα","","0.0479","0.0377","","","0.0884","0.0931","","","","","","1.005","","","","has coordinates","267094","2021-07-05","16:57:21",""
"1559859","22.532","0.002","11.3598","0.0009","26.302","0.002","90","","104.066","0.004","90","","6530.4","0.9","193","","193","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C30 H48 B2 N2 Ni O2 P2 -","- C30 H48 B2 N2 Ni O2 P2 -","- C240 H384 B16 N16 Ni8 O16 P16 -","8","1","","Ríos, Pablo; Borge, Javier; Fernández de Córdova, Francisco; Sciortino, Giuseppe; Lledós, Agustí; Rodríguez, Amor","Ambiphilic boryl groups in a neutral Ni(ii) complex: a new activation mode of H<sub>2</sub>.","Chemical science","2020","12","7","2540","2548","10.1039/d0sc06014c","","","0.71073","MoKα","","0.065","0.0397","","","0.0807","0.0961","","","","","","1.149","","","","has coordinates","267094","2021-07-05","16:57:21",""
"1559860","8.3399","0.0004","27.1397","0.0012","11.0226","0.0005","90","","100.071","0.004","90","","2456.4","0.2","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H31 K O8 -","- C25 H31 K O8 -","- C100 H124 K4 O32 -","4","1","","Ahmed, Jasimuddin; Datta, Paramita; Das, Arpan; Jomy, Stephy; Mandal, Swadhin K.","Switching between mono and doubly reduced odd alternant hydrocarbon: designing a redox catalyst.","Chemical science","2020","12","8","3039","3049","10.1039/d0sc05972b","","x-ray","1.54184","CuKα","","0.1199","0.1134","","","0.3001","0.3068","","","","","","1.045","","","","has coordinates","267050","2021-07-05","16:44:39",""
"1559861","14.2195","0.001","34.538","0.0019","13.8905","0.0009","90","","113.176","0.008","90","","6271.3","0.8","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C66 H81 K2 N2 O14 -","- C66 H81 K2 N2 O14 -","- C264 H324 K8 N8 O56 -","4","1","","Ahmed, Jasimuddin; Datta, Paramita; Das, Arpan; Jomy, Stephy; Mandal, Swadhin K.","Switching between mono and doubly reduced odd alternant hydrocarbon: designing a redox catalyst.","Chemical science","2020","12","8","3039","3049","10.1039/d0sc05972b","","x-ray","1.54184","CuKα","","0.151","0.1198","","","0.3097","0.3471","","","","","","1.053","","","","has coordinates","267050","2021-07-05","16:44:50",""
"1559862","14.237","0.0001","18.7126","0.0002","19.1013","0.0002","90","","90","","90","","5088.8","0.08","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C51 H69 K2 O14 -","- C51 H69 K2 O14 -","- C204 H276 K8 O56 -","4","1","","Ahmed, Jasimuddin; Datta, Paramita; Das, Arpan; Jomy, Stephy; Mandal, Swadhin K.","Switching between mono and doubly reduced odd alternant hydrocarbon: designing a redox catalyst.","Chemical science","2020","12","8","3039","3049","10.1039/d0sc05972b","","x-ray","1.54184","CuKα","","0.0415","0.0407","","","0.1069","0.1077","","","","","","1.028","","","","has coordinates","267050","2021-07-05","16:44:53",""
"1559874","11.8889","0.0004","14.4911","0.0005","14.9954","0.0005","90","","104.794","0.002","90","","2497.81","0.15","144","2","144","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H42 Cl6 D2 N2 O10 -","- C54 H42 Cl6 D2 N2 O10 -","- C108 H84 Cl12 D4 N4 O20 -","2","0.5","","Xiao, Wanlong; Mo, Yuhao; Guo, Jing; Su, Zhishan; Dong, Shunxi; Feng, Xiaoming","Catalytic enantioselective synthesis of macrodiolides and their application in chiral recognition.","Chemical science","2020","12","8","2940","2947","10.1039/d0sc06162j","","","1.54178","CuKα","","0.0968","0.0869","","","0.2166","0.222","","","","","","1.079","","","","has coordinates,has disorder","267051","2021-07-05","16:45:04",""
"1559875","10.8152","0.0002","12.5754","0.0002","20.1202","0.0003","90","","90","","90","","2736.46","0.08","252","2","252","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H27 N3 O5 -","- C30 H27 N3 O5 -","- C120 H108 N12 O20 -","4","1","","Xiao, Wanlong; Mo, Yuhao; Guo, Jing; Su, Zhishan; Dong, Shunxi; Feng, Xiaoming","Catalytic enantioselective synthesis of macrodiolides and their application in chiral recognition.","Chemical science","2020","12","8","2940","2947","10.1039/d0sc06162j","","","1.54178","CuKα","","0.043","0.0363","","","0.0857","0.0925","","","","","","1.052","","","","has coordinates,has disorder","267051","2021-07-05","16:45:05",""
"1559876","19.2448","0.0005","19.2448","0.0005","26.8461","0.0008","90","","90","","90","","9942.8","0.5","193","2","193","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C55 H46 Cl2 N2 O11 -","- C55 H46 Cl2 N2 O11 -","- C440 H368 Cl16 N16 O88 -","8","1","","Xiao, Wanlong; Mo, Yuhao; Guo, Jing; Su, Zhishan; Dong, Shunxi; Feng, Xiaoming","Catalytic enantioselective synthesis of macrodiolides and their application in chiral recognition.","Chemical science","2020","12","8","2940","2947","10.1039/d0sc06162j","","","0.71073","MoKα","","0.0791","0.0477","","","0.1107","0.133","","","","","","1.019","","","","has coordinates","267051","2021-07-05","16:45:05",""
"1559888","12.1157","0.0004","6.1134","0.0002","9.97","0.0003","90","","90","","90","","738.46","0.04","150","","150","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C7 H4 D6 O6 -","- C7 H4 D6 O6 -","- C28 H16 D24 O24 -","4","1","","Joffrin, Amélie M.; Saunders, Alex M.; Barneda, David; Flemington, Vikki; Thompson, Amber L.; Sanganee, Hitesh J.; Conway, Stuart J.","Development of isotope-enriched phosphatidylinositol-4- and 5-phosphate cellular mass spectrometry probes","Chemical Science","2021","12","7","2549","2557","10.1039/D0SC06219G","","","1.54184","CuKα","","0.031","0.0309","","0.0816","0.0816","0.0816","","","","","","1.0267","","","","has coordinates","262547","2021-03-05","01:39:02",""
"1559889","10.4164","0.0002","6.6513","0.0002","11.2592","0.0002","90","","96.9535","0.0017","90","","774.33","0.03","150","","150","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H18 O8 -","- C14 H18 O8 -","- C28 H36 O16 -","2","1","","Joffrin, Amélie M.; Saunders, Alex M.; Barneda, David; Flemington, Vikki; Thompson, Amber L.; Sanganee, Hitesh J.; Conway, Stuart J.","Development of isotope-enriched phosphatidylinositol-4- and 5-phosphate cellular mass spectrometry probes","Chemical Science","2021","12","7","2549","2557","10.1039/D0SC06219G","","","1.5418","CuKα","","0.023","0.0229","","0.0591","0.059","0.0591","","","","","","1.0108","","","","has coordinates","262547","2021-03-05","01:39:03",""
"1559890","6.2203","0.0004","17.3233","0.0009","11.9123","0.0006","90","","92.951","0.005","90","","1281.92","0.12","100","2","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","(E)-4-hydroxy-4-oxo-but-2-enoate; (3-methoxy-2-thienyl)methyl- [2-[(7R)-7-(2-pyridyl)-10-oxaspiro[4.5]decan-7-yl]ethyl]ammonium","","- C26 H34 N2 O6 S -","- C26 H34 N2 O6 S -","- C52 H68 N4 O12 S2 -","2","1","","Hao, Taotao; Yang, Yongsheng; Liang, Wenting; Fan, Chunying; Wang, Xin; Wu, Wanhua; Chen, Xiaochuan; Fu, Haiyan; Chen, Hua; Yang, Cheng","Trace mild acid-catalysed <i>Z</i> →<i>E</i> isomerization of norbornene-fused stilbene derivatives: intelligent chiral molecular photoswitches with controllable self-recovery.","Chemical science","2020","12","7","2614","2622","10.1039/d0sc05213b","","","1.54184","CuKα","","0.0669","0.0543","","","0.1535","0.1715","","","","","","1.068","","","","has coordinates","267092","2021-07-05","16:56:39",""
"1559891","11.9345","0.0013","7.2394","0.0008","22.679","0.002","90","","99.029","0.011","90","","1935.2","0.4","293","2","293.15","","","","","","","","","3","I 1 2 1","I 2y","5","","","","- C26 H25 O -","- C26 H25 O -","- C104 H100 O4 -","4","1","","Hao, Taotao; Yang, Yongsheng; Liang, Wenting; Fan, Chunying; Wang, Xin; Wu, Wanhua; Chen, Xiaochuan; Fu, Haiyan; Chen, Hua; Yang, Cheng","Trace mild acid-catalysed <i>Z</i> →<i>E</i> isomerization of norbornene-fused stilbene derivatives: intelligent chiral molecular photoswitches with controllable self-recovery.","Chemical science","2020","12","7","2614","2622","10.1039/d0sc05213b","","x-ray","0.71073","MoKα","","0.0749","0.053","","","0.1194","0.1344","","","","","","1.046","","","","has coordinates","267092","2021-07-05","16:56:39",""
"1559892","9.4684","0.0006","10.1128","0.0006","11.1589","0.0009","111.746","0.007","114.773","0.007","91.316","0.005","880.77","0.13","293","2","293.15","","","","","","","","","3","P -1","-P 1","2","","","","- C23 H24 O -","- C23 H24 O -","- C46 H48 O2 -","2","1","","Hao, Taotao; Yang, Yongsheng; Liang, Wenting; Fan, Chunying; Wang, Xin; Wu, Wanhua; Chen, Xiaochuan; Fu, Haiyan; Chen, Hua; Yang, Cheng","Trace mild acid-catalysed <i>Z</i> →<i>E</i> isomerization of norbornene-fused stilbene derivatives: intelligent chiral molecular photoswitches with controllable self-recovery.","Chemical science","2020","12","7","2614","2622","10.1039/d0sc05213b","","x-ray","0.71073","MoKα","","0.0685","0.0473","","","0.1125","0.1276","","","","","","1.03","","","","has coordinates","267092","2021-07-05","16:56:39",""
"1559907","12.5601","0.0003","7.39591","0.0002","14.8102","0.0004","90","","98.207","0.003","90","","1361.68","0.06","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H22 B Fe N -","- C12 H22 B Fe N -","- C48 H88 B4 Fe4 N4 -","4","1","","Zhai, Xiaofang; Pang, Maofu; Feng, Lei; Jia, Jiong; Tung, Chen-Ho; Wang, Wenguang","Dehydrogenation of iron amido-borane and resaturation of the imino-borane complex","Chemical Science","2021","12","8","2885","2889","10.1039/D0SC06787C","","x-ray","0.71","MoKα","","0.0589","0.0432","","","0.1039","0.1137","","","","","","1.077","","","","has coordinates,has disorder","263688","2021-04-05","14:20:09",""
"1559908","12.9415","0.0003","14.6375","0.0004","19.3031","0.0005","103.817","0.002","92.601","0.002","92.604","0.002","3541.17","0.16","173","0.1","173","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C68 H60 B2 F24 Fe N O2 P -","- C68 H60 B2 F24 Fe N O2 P -","- C136 H120 B4 F48 Fe2 N2 O4 P2 -","2","1","","Zhai, Xiaofang; Pang, Maofu; Feng, Lei; Jia, Jiong; Tung, Chen-Ho; Wang, Wenguang","Dehydrogenation of iron amido-borane and resaturation of the imino-borane complex","Chemical Science","2021","12","8","2885","2889","10.1039/D0SC06787C","","x-ray","1.54184","CuKα","","0.0924","0.0765","","","0.2084","0.2379","","","","","","1.074","","","","has coordinates,has disorder","263688","2021-04-05","14:20:10",""
"1559909","13.1206","0.0002","16.6063","0.0002","36.1078","0.0005","90","","93.609","0.001","90","","7851.73","0.19","173","0.1","173","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C81 H67 B2 F24 Fe N P2 -","- C78 H57.4 B2 F24 Fe N P2 -","- C312 H229.6 B8 F96 Fe4 N4 P8 -","4","1","","Zhai, Xiaofang; Pang, Maofu; Feng, Lei; Jia, Jiong; Tung, Chen-Ho; Wang, Wenguang","Dehydrogenation of iron amido-borane and resaturation of the imino-borane complex","Chemical Science","2021","12","8","2885","2889","10.1039/D0SC06787C","","x-ray","1.54184","CuKα","","0.0973","0.0806","","","0.2199","0.2347","","","","","","1.024","","","","has coordinates,has disorder","263688","2021-04-05","14:20:10",""
"1559910","15.3228","0.0002","26.7339","0.0003","35.8973","0.0004","90","","99.93","0.001","90","","14484.6","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H31 B Fe N P -","- C28 H31 B Fe N P -","- C672 H744 B24 Fe24 N24 P24 -","24","6","","Zhai, Xiaofang; Pang, Maofu; Feng, Lei; Jia, Jiong; Tung, Chen-Ho; Wang, Wenguang","Dehydrogenation of iron amido-borane and resaturation of the imino-borane complex","Chemical Science","2021","12","8","2885","2889","10.1039/D0SC06787C","","","1.54184","CuKα","","0.0954","0.0541","","","0.1418","0.171","","","","","","1.002","","","","has coordinates","274567","2022-04-19","14:22:37",""
"1559911","10.668","0.004","10.792","0.004","21.922","0.008","90","","92.119","0.003","90","","2522.1","1.6","173","2","173.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H33 B Fe N P -","- C28 H33 B Fe N P -","- C112 H132 B4 Fe4 N4 P4 -","4","1","","Zhai, Xiaofang; Pang, Maofu; Feng, Lei; Jia, Jiong; Tung, Chen-Ho; Wang, Wenguang","Dehydrogenation of iron amido-borane and resaturation of the imino-borane complex","Chemical Science","2021","12","8","2885","2889","10.1039/D0SC06787C","","","0.71","synchrotron","","0.0554","0.037","","","0.0892","0.102","","","","","","1.0753","","","","has coordinates","277994","2022-09-20","08:32:41",""
"1559946","12.8322","0.0003","19.9878","0.0003","20.044","0.0005","90","","90","","90","","5141.03","0.19","100","2","100","2","","","","","","","","6","P b a m","-P 2 2ab","55","","csiMOF-6","","- C30 H14 Cd N4 O8 S -","- C30 H14 Cd N4 O8 S -","- C120 H56 Cd4 N16 O32 S4 -","4","0.5","","Ding, Bowen; Chan, Bun; Proschogo, Nicholas; Solomon, Marcello B.; Kepert, Cameron J.; D'Alessandro, Deanna M.","A cofacial metal‒organic framework based photocathode for carbon dioxide reduction","Chemical Science","2021","12","10","3608","3614","10.1039/D0SC04691D","","","1.54178","CuKα","","0.0723","0.0611","","","0.1993","0.2123","","","","","","0.924","","","","has coordinates,has disorder","263672","2021-04-05","14:16:17",""
"1559947","12.9936","0.0001","19.8725","0.0001","20.0366","0.0003","90","","90","","90","","5173.76","0.09","100","2","100","2","","","","","","","","6","P b a m","-P 2 2ab","55","","csiMOF-6","","- C30 H14 Cd N4 O8 S -","- C30 H14 Cd N4 O8 S -","- C120 H56 Cd4 N16 O32 S4 -","4","0.5","","Ding, Bowen; Chan, Bun; Proschogo, Nicholas; Solomon, Marcello B.; Kepert, Cameron J.; D'Alessandro, Deanna M.","A cofacial metal‒organic framework based photocathode for carbon dioxide reduction","Chemical Science","2021","12","10","3608","3614","10.1039/D0SC04691D","","","1.54178","CuKα","","0.0679","0.0615","","","0.1811","0.1861","","","","","","1.155","","","","has coordinates,has disorder","263672","2021-04-05","14:16:21",""
"1559948","8.909","0.002","9.012","0.003","27.896","0.008","90","","92.832","0.01","90","","2237","1.1","385","2","385.05","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C10 H34 I12 N4 Pb3 -","- C10 H34 I12 N4 Pb3 -","- C20 H68 I24 N8 Pb6 -","2","0.25","","Li, Dong; Wu, Wentao; Han, Shiguo; Liu, Xitao; Peng, Yu; Li, Xiaoqi; Li, Lina; Hong, Maochun; Luo, Junhua","A reduced-dimensional polar hybrid perovskite for self-powered broad-spectrum photodetection","Chemical Science","2021","12","8","3050","3054","10.1039/D0SC06112C","","","0.71073","MoKα","","0.1099","0.0948","","","0.262","0.2731","","","","","","1.068","","","","has coordinates,has disorder","263689","2021-04-05","14:20:16",""
"1559949","27.3848","0.0012","9.0015","0.0004","8.8216","0.0003","90","","95.999","0.001","90","","2162.65","0.15","290","2","290","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C10 H34 I12 N4 Pb3 -","- C10 H34 I12 N4 Pb3 -","- C20 H68 I24 N8 Pb6 -","2","1","","Li, Dong; Wu, Wentao; Han, Shiguo; Liu, Xitao; Peng, Yu; Li, Xiaoqi; Li, Lina; Hong, Maochun; Luo, Junhua","A reduced-dimensional polar hybrid perovskite for self-powered broad-spectrum photodetection","Chemical Science","2021","12","8","3050","3054","10.1039/D0SC06112C","","","0.71073","MoKα","","0.0783","0.0627","","","0.1686","0.1831","","","","","","1.038","","","","has coordinates","263689","2021-04-05","14:20:16",""
"1559953","11.3867","0.0002","13.3132","0.0003","12.4183","0.0002","90","","92.717","0.002","90","","1880.42","0.06","123","","123","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C15 H19 F3 N2 O5 Pt S -","- C15 H19 F3 N2 O5 Pt S -","- C60 H76 F12 N8 O20 Pt4 S4 -","4","1","","Pal, Shrinwantu; Nozaki, Kyoko; Vedernikov, Andrei N.; Love, Jennifer A.","Reversible PtII‒CH3 deuteration without methane loss: metal‒ligand cooperation vs. ligand-assisted PtII-protonation","Chemical Science","2021","12","8","2960","2969","10.1039/D0SC06518H","","x-ray","0.71073","MoKα","","0.0299","0.0259","","","0.0528","0.0536","","","","","","1.195","","","","has coordinates,has disorder","263687","2021-04-05","14:19:54",""
"1559954","6.9704","0.0003","8.0097","0.0003","11.9695","0.0005","90","","100.105","0.002","90","","657.9","0.05","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C10 H13 F2 N O4 S2 -","- C10 H13 F2 N O4 S2 -","- C20 H26 F4 N2 O8 S4 -","2","1","","Rossi, Maria-Agustina; Martinez, Veronica; Hinchliffe, Philip; Mojica, Maria F.; Castillo, Valerie; Moreno, Diego M.; Smith, Ryan; Spellberg, Brad; Drusano, George L.; Banchio, Claudia; Bonomo, Robert A.; Spencer, James; Vila, Alejandro J.; Mahler, Graciela","2-Mercaptomethyl-thiazolidines use conserved aromatic‒S interactions to achieve broad-range inhibition of metallo-β-lactamases","Chemical Science","2021","12","8","2898","2908","10.1039/D0SC05172A","","","0.71073","MoKα","","0.0362","0.0323","","","0.0844","0.0889","","","","","","1.115","","","","has coordinates,has disorder","263691","2021-04-05","14:20:29",""
"1559955","45.692","0.002","45.692","0.002","77.435","0.004","90","","90","","120","","140007","11","193","2","193","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C224 H252 Au44 S28 -","- C224 H252 Au44 S28 -","- C4032 H4536 Au792 S504 -","18","0.5","","Liu, Xu; Yao, Guo; Cheng, Xinglian; Xu, Jiayu; Cai, Xiao; Hu, Weigang; Xu, Wen Wu; Zhang, Chunfeng; Zhu, Yan","Cd-driven surface reconstruction and photodynamics in gold nanoclusters","Chemical Science","2021","12","9","3290","3294","10.1039/D0SC05163B","","","0.71073","MoKα","","0.0923","0.0488","","","0.1309","0.1596","","","","","","1.016","","","","has coordinates","263693","2021-04-05","14:21:37",""
"1559956","35.243","0.003","36.193","0.003","46.321","0.004","78.898","0.003","74.68","0.003","79.183","0.003","55332","8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C240 H270 Au38 Cd4 S30 -","- C240 H270 Au38 Cd4 S30 -","- C1440 H1620 Au228 Cd24 S180 -","6","3","","Liu, Xu; Yao, Guo; Cheng, Xinglian; Xu, Jiayu; Cai, Xiao; Hu, Weigang; Xu, Wen Wu; Zhang, Chunfeng; Zhu, Yan","Cd-driven surface reconstruction and photodynamics in gold nanoclusters","Chemical Science","2021","12","9","3290","3294","10.1039/D0SC05163B","","","0.71073","MoKα","","0.1086","0.0551","","","0.1486","0.175","","","","","","0.953","","","","has coordinates,has disorder","263693","2021-04-05","14:21:38",""
"1559978","7.0096","0.0004","11.6756","0.0006","17.1032","0.0009","96.573","0.002","98.931","0.002","99.536","0.002","1349.48","0.13","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H36 N2 S2 -","- C30 H36 N2 S2 -","- C60 H72 N4 S4 -","2","1","","Sinclair, Geoffrey S.; Claridge, Robert C. M.; Kukor, Andrew J.; Hopkins, W. Scott; Schipper, Derek J.","N-Oxide S‒O chalcogen bonding in conjugated materials","Chemical Science","2021","12","6","2304","2312","10.1039/D0SC06583H","","","0.71073","MoKα","","0.1351","0.0549","","","0.0847","0.0969","","","","","","1.316","","","","has coordinates","262543","2021-03-05","01:38:02",""
"1559979","6.7333","0.0017","7.2344","0.0018","14.884","0.004","85.396","0.007","80.658","0.007","74.043","0.007","687.4","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H36 N2 O S2 -","- C30 H36 N2 O S2 -","- C30 H36 N2 O S2 -","1","0.5","","Sinclair, Geoffrey S.; Claridge, Robert C. M.; Kukor, Andrew J.; Hopkins, W. Scott; Schipper, Derek J.","N-Oxide S‒O chalcogen bonding in conjugated materials","Chemical Science","2021","12","6","2304","2312","10.1039/D0SC06583H","","","0.71073","MoKα","","0.0902","0.049","","","0.0892","0.0998","","","","","","1.203","","","","has coordinates","262543","2021-03-05","01:38:02",""
"1559980","5.974","0.005","16.697","0.005","14.741","0.005","90","0.005","91.617","0.005","90","0.005","1469.8","1.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 N O3 -","- C18 H15 N O3 -","- C72 H60 N4 O12 -","4","1","","Cheng, Yaohang; Yu, Shijie; He, Yuhang; An, Guanghui; Li, Guangming; Yang, Zhenyu","C4-arylation and domino C4-arylation/3,2-carbonyl migration of indoles by tuning Pd catalytic modes: Pd(i)‒Pd(ii) catalysis vs. Pd(ii) catalysis","Chemical Science","2021","12","9","3216","3225","10.1039/D0SC05409G","","","0.71069","MoKα","","0.0837","0.065","","","0.1609","0.1724","","","","","","1.084","","","","has coordinates","263697","2021-04-05","14:22:52",""
"1559981","8.1516","0.0008","8.1871","0.0008","11.8093","0.0011","96.901","0.008","107.557","0.009","92.751","0.008","743.01","0.13","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H15 N O3 -","- C18 H15 N O3 -","- C36 H30 N2 O6 -","2","1","","Cheng, Yaohang; Yu, Shijie; He, Yuhang; An, Guanghui; Li, Guangming; Yang, Zhenyu","C4-arylation and domino C4-arylation/3,2-carbonyl migration of indoles by tuning Pd catalytic modes: Pd(i)–Pd(ii) catalysis vs. Pd(ii) catalysis","Chemical Science","2021","12","9","3216","3225","10.1039/D0SC05409G","","","0.71073","MoKα","","0.06","0.0453","","","0.1279","0.1532","","","","","","0.702","","","","has coordinates","276143","2022-06-22","06:24:16",""
"1559982","21.3948","0.0019","27.211","0.003","29.938","0.004","80.347","0.01","70.094","0.009","67.283","0.008","15103","3","120","2","120","2","","","","","","","","10","P -1","-P 1","2","","","","- C285 H325 Ag21 Au B2 Cl2 Fe3 O2 P6 S12 -","- C285 H321 Ag21 Au0.9935 B2 Cl2 Fe3 P6 S12 -","- C570 H642 Ag42 Au1.987 B4 Cl4 Fe6 P12 S24 -","2","1","","Zou, Xuejuan; He, Shuping; Kang, Xi; Chen, Shuang; Yu, Haizhu; Jin, Shan; Astruc, Didier; Zhu, Manzhou","New atomically precise M1Ag21 (M = Au/Ag) nanoclusters as excellent oxygen reduction reaction catalysts","Chemical Science","2021","12","10","3660","3667","10.1039/D0SC05923D","","","1.54186","CuKα","","0.1413","0.116","","","0.3142","0.3333","","","","","","1.328","","","","has coordinates","263677","2021-04-05","14:17:20",""
"1559983","21.412","0.0002","27.2727","0.0003","29.7612","0.0003","79.123","0.001","70.493","0.001","66.956","0.001","15040.9","0.3","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C298 H333 Ag22 B2 Fe3 P6 S12 -","- C298 H333 Ag22 B2 Fe3 P6 S12 -","- C596 H666 Ag44 B4 Fe6 P12 S24 -","2","1","","Zou, Xuejuan; He, Shuping; Kang, Xi; Chen, Shuang; Yu, Haizhu; Jin, Shan; Astruc, Didier; Zhu, Manzhou","New atomically precise M1Ag21 (M = Au/Ag) nanoclusters as excellent oxygen reduction reaction catalysts","Chemical Science","2021","12","10","3660","3667","10.1039/D0SC05923D","","","1.54186","CuKα","","0.0872","0.0741","","","0.1974","0.2054","","","","","","1.057","","","","has coordinates","263677","2021-04-05","14:17:20",""
"1559984","14.315","0.004","21.977","0.006","26.509","0.009","90","","95.58","0.003","90","","8300","4","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Sm2-biph-K2","","- C84 H116 Fe2 K2 N4 Si4 Sm2 -","- C84 H116 Fe2 K2 N4 Si4 Sm2 -","- C336 H464 Fe8 K8 N16 Si16 Sm8 -","4","0.5","","Xiao, Yuyuan; Zhao, Xiao-Kun; Wu, Tianpin; Miller, Jeffrey T.; Hu, Han-Shi; Li, Jun; Huang, Wenliang; Diaconescu, Paula L.","Distinct electronic structures and bonding interactions in inverse-sandwich samarium and ytterbium biphenyl complexes.","Chemical science","2020","12","1","227","238","10.1039/d0sc03555f","","","0.71073","MoKα","","0.0347","0.028","","","0.0611","0.0648","","","","","","1.032","","","","has coordinates,has disorder","267046","2021-07-05","16:43:55",""
"1559985","13.9723","0.0002","15.8539","0.0002","16.9858","0.0002","90","","90","","90","","3762.62","0.08","180","0.1","180","0.1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","(NNTBS)Yb(THF)3","","- C34 H62 Fe N2 O3 Si2 Yb -","- C34 H62 Fe N2 O3 Si2 Yb -","- C136 H248 Fe4 N8 O12 Si8 Yb4 -","4","1","","Xiao, Yuyuan; Zhao, Xiao-Kun; Wu, Tianpin; Miller, Jeffrey T.; Hu, Han-Shi; Li, Jun; Huang, Wenliang; Diaconescu, Paula L.","Distinct electronic structures and bonding interactions in inverse-sandwich samarium and ytterbium biphenyl complexes.","Chemical science","2020","12","1","227","238","10.1039/d0sc03555f","","x-ray","0.71073","MoKα","","0.0183","0.0175","","","0.0397","0.0399","","","","","","1.033","","","","has coordinates","267046","2021-07-05","16:43:55",""
"1559986","11.5553","0.0005","12.3812","0.0006","12.4512","0.0006","112.215","0.005","96.684","0.004","113.262","0.004","1439.25","0.16","179.99","0.1","179.99","0.1","","","","","","","","7","P -1","-P 1","2","","[(NNTBS)Yb(THF)]2","","- C52 H92 Fe2 N4 O2 Si4 Yb2 -","- C52 H92 Fe2 N4 O2 Si4 Yb2 -","- C52 H92 Fe2 N4 O2 Si4 Yb2 -","1","0.5","","Xiao, Yuyuan; Zhao, Xiao-Kun; Wu, Tianpin; Miller, Jeffrey T.; Hu, Han-Shi; Li, Jun; Huang, Wenliang; Diaconescu, Paula L.","Distinct electronic structures and bonding interactions in inverse-sandwich samarium and ytterbium biphenyl complexes.","Chemical science","2020","12","1","227","238","10.1039/d0sc03555f","","x-ray","0.71073","MoKα","","0.0845","0.0752","","","0.1838","0.1914","","","","","","1.064","","","","has coordinates,has disorder","267046","2021-07-05","16:43:55",""
"1559987","15.0158","0.0004","15.8062","0.0004","28.2213","0.0007","83.357","0.002","79.591","0.002","66.665","0.002","6041.8","0.3","180","0.1","180","0.1","","","","","","","","8","P -1","-P 1","2","","Sm2-biph-K2(18C6)2","","- C104 H182 Fe2 K2 N4 O18 Si4 Sm2 -","- C104 H182 Fe2 K2 N4 O18 Si4 Sm2 -","- C208 H364 Fe4 K4 N8 O36 Si8 Sm4 -","2","1","","Xiao, Yuyuan; Zhao, Xiao-Kun; Wu, Tianpin; Miller, Jeffrey T.; Hu, Han-Shi; Li, Jun; Huang, Wenliang; Diaconescu, Paula L.","Distinct electronic structures and bonding interactions in inverse-sandwich samarium and ytterbium biphenyl complexes.","Chemical science","2020","12","1","227","238","10.1039/d0sc03555f","","x-ray","0.71073","MoKα","","0.0426","0.0313","","","0.0748","0.0795","","","","","","1.032","","","","has coordinates,has disorder","267046","2021-07-05","16:43:55",""
"1559988","11.3145","0.0002","13.0374","0.0002","14.2432","0.0002","87.291","0.001","81.628","0.001","71.282","0.002","1968.71","0.06","179.99","0.1","179.99","0.1","","","","","","","","7","P -1","-P 1","2","","(NNTBS)Yb(k3-18C6)","","- C34 H62 Fe N2 O6 Si2 Yb -","- C34 H62 Fe N2 O6 Si2 Yb -","- C68 H124 Fe2 N4 O12 Si4 Yb2 -","2","1","","Xiao, Yuyuan; Zhao, Xiao-Kun; Wu, Tianpin; Miller, Jeffrey T.; Hu, Han-Shi; Li, Jun; Huang, Wenliang; Diaconescu, Paula L.","Distinct electronic structures and bonding interactions in inverse-sandwich samarium and ytterbium biphenyl complexes.","Chemical science","2020","12","1","227","238","10.1039/d0sc03555f","","x-ray","0.71073","MoKα","","0.0244","0.0214","","","0.0533","0.0545","","","","","","1.025","","","","has coordinates,has disorder","267046","2021-07-05","16:43:55",""
"1559989","13.2467","0.0016","18.78","0.002","14.5436","0.0017","90","","100.579","0.001","90","","3556.6","0.7","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","Yb2-K2-biph","","- C64 H106 Fe2 K2 N4 O2 Si4 Yb2 -","- C64 H106 Fe2 K2 N4 O2 Si4 Yb2 -","- C128 H212 Fe4 K4 N8 O4 Si8 Yb4 -","2","0.5","","Xiao, Yuyuan; Zhao, Xiao-Kun; Wu, Tianpin; Miller, Jeffrey T.; Hu, Han-Shi; Li, Jun; Huang, Wenliang; Diaconescu, Paula L.","Distinct electronic structures and bonding interactions in inverse-sandwich samarium and ytterbium biphenyl complexes.","Chemical science","2020","12","1","227","238","10.1039/d0sc03555f","","","0.71073","MoKα","","0.0365","0.0297","","","0.0645","0.0667","","","","","","1.104","","","","has coordinates","267046","2021-07-05","16:43:55",""
"1559990","10.201","0.0003","33.0414","0.0012","12.1739","0.0003","90","","105.418","0.003","90","","3955.6","0.2","180","0.1","180","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","","(NNTSB)Yb(k4-18C6)","","- C34 H62 Fe N2 O6 Si2 Yb -","- C34 H62 Fe N2 O6 Si2 Yb -","- C136 H248 Fe4 N8 O24 Si8 Yb4 -","4","2","","Xiao, Yuyuan; Zhao, Xiao-Kun; Wu, Tianpin; Miller, Jeffrey T.; Hu, Han-Shi; Li, Jun; Huang, Wenliang; Diaconescu, Paula L.","Distinct electronic structures and bonding interactions in inverse-sandwich samarium and ytterbium biphenyl complexes.","Chemical science","2020","12","1","227","238","10.1039/d0sc03555f","","x-ray","0.71073","MoKα","","0.0524","0.0439","","","0.0829","0.0851","","","","","","1.017","","","","has coordinates,has disorder","267046","2021-07-05","16:43:55",""
"1559991","26.9077","0.0006","7.4341","0.0003","11.4663","0.0016","90","","100.496","0.004","90","","2255.3","0.3","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","FcNMe2SO3Heptene","","- C23 H35 Fe N O3 S -","- C23 H35 Fe N O3 S -","- C92 H140 Fe4 N4 O12 S4 -","4","1","","Bitter, Stefan; Schlötter, Moritz; Schilling, Markus; Krumova, Marina; Polarz, Sebastian; Winter, Rainer F.","Ferro-self-assembly: magnetic and electrochemical adaptation of a multiresponsive zwitterionic metalloamphiphile showing a shape-hysteresis effect.","Chemical science","2020","12","1","270","281","10.1039/d0sc05249c","","","0.71073","MoKα","","0.0682","0.0463","","","0.1012","0.1147","","","","","","1.082","","","","has coordinates","267044","2021-07-05","16:43:03",""
"1559992","10.309","0.0002","13.9097","0.0002","15.4326","0.0003","90","","101.658","0.0001","90","","2167.31","0.07","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H21 N3 O Pt -","- C29 H21 N3 O Pt -","- C116 H84 N12 O4 Pt4 -","4","1","","Maisuls, Iván; Wang, Cui; Gutierrez Suburu, Matias E.; Wilde, Sebastian; Daniliuc, Constantin-Gabriel; Brünink, Dana; Doltsinis, Nikos L.; Ostendorp, Stefan; Wilde, Gerhard; Kösters, Jutta; Resch-Genger, Ute; Strassert, Cristian A.","Ligand-controlled and nanoconfinement-boosted luminescence employing Pt(ii) and Pd(ii) complexes: from color-tunable aggregation-enhanced dual emitters towards self-referenced oxygen reporters","Chemical Science","2021","12","9","3270","3281","10.1039/D0SC06126C","","","0.71073","MoKα","","0.0332","0.0297","","","0.0724","0.0751","","","","","","1.071","","","","has coordinates","263695","2021-04-05","14:22:29",""
"1559993","11.8675","0.0009","12.4514","0.001","17.2457","0.0014","94.655","0.002","96.279","0.002","113.088","0.002","2308.6","0.3","240","2","240","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H17 F4 N3 O Pd -","- C29 H17 F4 N3 O Pd -","- C116 H68 F16 N12 O4 Pd4 -","4","2","","Maisuls, Iván; Wang, Cui; Gutierrez Suburu, Matias E.; Wilde, Sebastian; Daniliuc, Constantin-Gabriel; Brünink, Dana; Doltsinis, Nikos L.; Ostendorp, Stefan; Wilde, Gerhard; Kösters, Jutta; Resch-Genger, Ute; Strassert, Cristian A.","Ligand-controlled and nanoconfinement-boosted luminescence employing Pt(ii) and Pd(ii) complexes: from color-tunable aggregation-enhanced dual emitters towards self-referenced oxygen reporters","Chemical Science","2021","12","9","3270","3281","10.1039/D0SC06126C","","","0.71073","MoKα","","0.0899","0.0546","","","0.0942","0.106","","","","","","1.031","","","","has coordinates","263695","2021-04-05","14:22:30",""
"1559994","9.3869","0.0003","11.7589","0.0002","11.9012","0.0003","117.792","0.001","105.826","0.001","94.593","0.001","1084.42","0.05","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H19 F2 N3 O Pt -","- C29 H19 F2 N3 O Pt -","- C58 H38 F4 N6 O2 Pt2 -","2","1","","Maisuls, Iván; Wang, Cui; Gutierrez Suburu, Matias E.; Wilde, Sebastian; Daniliuc, Constantin-Gabriel; Brünink, Dana; Doltsinis, Nikos L.; Ostendorp, Stefan; Wilde, Gerhard; Kösters, Jutta; Resch-Genger, Ute; Strassert, Cristian A.","Ligand-controlled and nanoconfinement-boosted luminescence employing Pt(ii) and Pd(ii) complexes: from color-tunable aggregation-enhanced dual emitters towards self-referenced oxygen reporters","Chemical Science","2021","12","9","3270","3281","10.1039/D0SC06126C","","","0.71073","MoKα","","0.0258","0.0248","","","0.0608","0.0619","","","","","","1.056","","","","has coordinates","263695","2021-04-05","14:22:30",""
"1559995","22.8339","0.0003","9.8626","0.0002","22.7576","0.0003","90","","117.704","0.001","90","","4537.52","0.13","173","2","173","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C29 H17 F4 N3 O Pt -","- C29 H17 F4 N3 O Pt -","- C232 H136 F32 N24 O8 Pt8 -","8","2","","Maisuls, Iván; Wang, Cui; Gutierrez Suburu, Matias E.; Wilde, Sebastian; Daniliuc, Constantin-Gabriel; Brünink, Dana; Doltsinis, Nikos L.; Ostendorp, Stefan; Wilde, Gerhard; Kösters, Jutta; Resch-Genger, Ute; Strassert, Cristian A.","Ligand-controlled and nanoconfinement-boosted luminescence employing Pt(ii) and Pd(ii) complexes: from color-tunable aggregation-enhanced dual emitters towards self-referenced oxygen reporters","Chemical Science","2021","12","9","3270","3281","10.1039/D0SC06126C","","","0.71073","MoKα","","0.0632","0.0434","","","0.0827","0.0936","","","","","","1.069","","","","has coordinates","263695","2021-04-05","14:22:30",""
"1559996","9.6007","0.0002","11.7181","0.0002","12.0959","0.0003","118.283","0.001","95.325","0.001","104.556","0.001","1123.48","0.04","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H17 F4 N3 O Pt -","- C29 H17 F4 N3 O Pt -","- C58 H34 F8 N6 O2 Pt2 -","2","1","","Maisuls, Iván; Wang, Cui; Gutierrez Suburu, Matias E.; Wilde, Sebastian; Daniliuc, Constantin-Gabriel; Brünink, Dana; Doltsinis, Nikos L.; Ostendorp, Stefan; Wilde, Gerhard; Kösters, Jutta; Resch-Genger, Ute; Strassert, Cristian A.","Ligand-controlled and nanoconfinement-boosted luminescence employing Pt(ii) and Pd(ii) complexes: from color-tunable aggregation-enhanced dual emitters towards self-referenced oxygen reporters","Chemical Science","2021","12","9","3270","3281","10.1039/D0SC06126C","","","0.71073","MoKα","","0.0247","0.0241","","","0.0621","0.0628","","","","","","1.042","","","","has coordinates","263695","2021-04-05","14:22:30",""
"1559997","9.7932","0.0005","13.0955","0.0006","19.8473","0.001","90","","93.9044","0.0018","90","","2539.4","0.2","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H40 Cl O2 P Pd -","- C23 H40 Cl O2 P Pd -","- C92 H160 Cl4 O8 P4 Pd4 -","4","1","","Kim, Daeun; Choi, Geunho; Kim, Weonjeong; Kim, Dongwook; Kang, Youn K.; Hong, Soon Hyeok","The site-selectivity and mechanism of Pd-catalyzed C(sp<sup>2</sup>)-H arylation of simple arenes.","Chemical science","2020","12","1","363","373","10.1039/d0sc05414c","","","0.71073","MoKα","","0.0629","0.0604","","","0.1539","0.1551","","","","","","1.225","","","","has coordinates","267048","2021-07-05","16:44:13",""
"1559998","17.6663","0.0002","16.9578","0.0002","26.7308","0.0003","90","","106.76","","90","","7667.88","0.15","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C126 H53 N5 Ni S2 U2 -","- C126 H53 N5 Ni S2 U2 -","- C504 H212 N20 Ni4 S8 U8 -","4","1","","Li, Xiaomeng; Roselló, Yannick; Yao, Yang-Rong; Zhuang, Jiaxin; Zhang, Xingxing; Rodríguez-Fortea, Antonio; de Graaf, Coen; Echegoyen, Luis; Poblet, Josep M.; Chen, Ning","U<sub>2</sub>N@<i>I</i> <sub>h</sub>(7)-C<sub>80</sub>: fullerene cage encapsulating an unsymmetrical U(iv)[double bond, length as m-dash]N[double bond, length as m-dash]U(v) cluster.","Chemical science","2020","12","1","282","292","10.1039/d0sc04677a","","","0.77484","synchrotron","","0.0393","0.0379","","","0.0979","0.0993","","","","","","1.035","","","","has coordinates,has disorder","267047","2021-07-05","16:44:06",""
"1559999","11.9921","0.0003","12.28439","0.00018","21.733","0.0005","94.518","0.0016","91.0356","0.0018","101.524","0.0016","3125.45","0.12","100","","100","","","","","","","","","9","P -1","-P 1","2","","bis(triphenylphosphine)-tris(phenylthiolate)-bispalladium-ruthenium-hexafluoroantimoniate-dichloromethane","","- C64.5 H59.5 Cl1.5 F6 P2 Pd2 Ru S3 Sb -","- C64.5 H59.5 Cl1.5 F6 P2 Pd2 Ru S3 Sb -","- C129 H119 Cl3 F12 P4 Pd4 Ru2 S6 Sb2 -","2","1","","Kulichenko, Maksim; Fedik, Nikita; Monfredini, Anna; Muñoz-Castro, Alvaro; Balestri, Davide; Boldyrev, Alexander I.; Maestri, Giovanni","""Bottled"" spiro-doubly aromatic trinuclear [Pd<sub>2</sub>Ru]<sup>+</sup> complexes.","Chemical science","2020","12","1","477","486","10.1039/d0sc04469e","","x-ray","0.7","synchrotron","","0.0541","0.054","","","0.1658","0.1659","","","","","","1.011","","","","has coordinates,has disorder","267049","2021-07-05","16:44:18",""
"1560000","10.215","0.004","30.038","0.009","10.723","0.004","90","","116.107","0.012","90","","2954.5","1.9","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H46 Li N2 O P3 -","- C28 H46 Li N2 O P3 -","- C112 H184 Li4 N8 O4 P12 -","4","1","","Normand, Adrien T.; Sosa Carrizo, E. Daiann; Magnoux, Corentin; Lobato, Esteban; Cattey, Hélène; Richard, Philippe; Brandès, Stéphane; Devillers, Charles H.; Romieu, Anthony; Le Gendre, Pierre; Fleurat-Lessard, Paul","Reappraising Schmidpeter's bis(iminophosphoranyl)phosphides: coordination to transition metals and bonding analysis.","Chemical science","2020","12","1","253","269","10.1039/d0sc04736h","","x-ray","0.71073","MoKα","","0.0759","0.068","","","0.1758","0.1835","","","","","","1.024","","","","has coordinates,has disorder","267045","2021-07-05","16:43:29",""
"1560001","11.6149","0.0006","16.6838","0.0008","20.0416","0.0009","90","","90.81","0.002","90","","3883.3","0.3","100","","100","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C58.28 H98.56 Br2 Cl6.56 Cu2 N6 P6 Ti2 -","- C58.28 H98.56 Br2 Cl6.56 Cu2 N6 P6 Ti2 -","- C116.56 H197.12 Br4 Cl13.12 Cu4 N12 P12 Ti4 -","2","0.5","","Normand, Adrien T.; Sosa Carrizo, E. Daiann; Magnoux, Corentin; Lobato, Esteban; Cattey, Hélène; Richard, Philippe; Brandès, Stéphane; Devillers, Charles H.; Romieu, Anthony; Le Gendre, Pierre; Fleurat-Lessard, Paul","Reappraising Schmidpeter's bis(iminophosphoranyl)phosphides: coordination to transition metals and bonding analysis.","Chemical science","2020","12","1","253","269","10.1039/d0sc04736h","","x-ray","0.71073","MoKα","","0.0672","0.0428","","","0.0939","0.1094","","","","","","1.062","","","","has coordinates,has disorder","267045","2021-07-05","16:43:29",""
"1560002","10.1219","0.0016","16.662","0.003","22.432","0.004","90","","99.27","0.003","90","","3733.8","1.1","115","","115","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C40 H38 Cl2 N2 O P3 Ti -","- C40 H38 Cl2 N2 O P3 Ti -","- C160 H152 Cl8 N8 O4 P12 Ti4 -","4","1","","Normand, Adrien T.; Sosa Carrizo, E. Daiann; Magnoux, Corentin; Lobato, Esteban; Cattey, Hélène; Richard, Philippe; Brandès, Stéphane; Devillers, Charles H.; Romieu, Anthony; Le Gendre, Pierre; Fleurat-Lessard, Paul","Reappraising Schmidpeter's bis(iminophosphoranyl)phosphides: coordination to transition metals and bonding analysis.","Chemical science","2020","12","1","253","269","10.1039/d0sc04736h","","x-ray","0.71073","MoKα","","0.0419","0.0316","","","0.0721","0.0784","","","","","","1.036","","","","has coordinates","267045","2021-07-05","16:43:29",""
"1560003","12.209","0.003","12.264","0.003","15.876","0.004","97.041","0.006","99.249","0.006","98.343","0.006","2295.3","1","115","","115","","","","","","","","","6","P -1","-P 1","2","","","","- C45 H44 Cl N4 P3 Ti -","- C45 H44 Cl N4 P3 Ti -","- C90 H88 Cl2 N8 P6 Ti2 -","2","1","","Normand, Adrien T.; Sosa Carrizo, E. Daiann; Magnoux, Corentin; Lobato, Esteban; Cattey, Hélène; Richard, Philippe; Brandès, Stéphane; Devillers, Charles H.; Romieu, Anthony; Le Gendre, Pierre; Fleurat-Lessard, Paul","Reappraising Schmidpeter's bis(iminophosphoranyl)phosphides: coordination to transition metals and bonding analysis.","Chemical science","2020","12","1","253","269","10.1039/d0sc04736h","","x-ray","0.71073","MoKα","","0.1959","0.0708","","","0.1543","0.2049","","","","","","0.92","","","","has coordinates","267045","2021-07-05","16:43:29",""
"1560004","16.455","0.0009","16.291","0.0008","22.0025","0.0012","90","","90","","90","","5898.2","0.5","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H38 Cl3 N2 P3 Zr -","- C24 H38 Cl3 N2 P3 Zr -","- C192 H304 Cl24 N16 P24 Zr8 -","8","1","","Normand, Adrien T.; Sosa Carrizo, E. Daiann; Magnoux, Corentin; Lobato, Esteban; Cattey, Hélène; Richard, Philippe; Brandès, Stéphane; Devillers, Charles H.; Romieu, Anthony; Le Gendre, Pierre; Fleurat-Lessard, Paul","Reappraising Schmidpeter's bis(iminophosphoranyl)phosphides: coordination to transition metals and bonding analysis.","Chemical science","2020","12","1","253","269","10.1039/d0sc04736h","","x-ray","0.71073","MoKα","","0.0307","0.022","","","0.0503","0.054","","","","","","1.05","","","","has coordinates","267045","2021-07-05","16:43:29",""
"1560005","14.2921","0.0008","13.7871","0.0007","18.9179","0.001","90","","90","","90","","3727.7","0.3","100","","100","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C29 H49 Au Cl4 N3 P3 Ti -","- C29 H49 Au Cl4 N3 P3 Ti -","- C116 H196 Au4 Cl16 N12 P12 Ti4 -","4","0.5","","Normand, Adrien T.; Sosa Carrizo, E. Daiann; Magnoux, Corentin; Lobato, Esteban; Cattey, Hélène; Richard, Philippe; Brandès, Stéphane; Devillers, Charles H.; Romieu, Anthony; Le Gendre, Pierre; Fleurat-Lessard, Paul","Reappraising Schmidpeter's bis(iminophosphoranyl)phosphides: coordination to transition metals and bonding analysis.","Chemical science","2020","12","1","253","269","10.1039/d0sc04736h","","x-ray","0.71073","MoKα","","0.0293","0.0249","","","0.0497","0.0528","","","","","","1.235","","","","has coordinates,has disorder","267045","2021-07-05","16:43:29",""
"1560006","11.8938","0.0012","12.0699","0.0011","27.548","0.003","82.319","0.004","80.357","0.005","70.217","0.004","3656.1","0.6","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C147 H126 Cl18 N8 P12 Zr4 -","- C147 H126 Cl18 N8 P12 Zr4 -","- C147 H126 Cl18 N8 P12 Zr4 -","1","0.5","","Normand, Adrien T.; Sosa Carrizo, E. Daiann; Magnoux, Corentin; Lobato, Esteban; Cattey, Hélène; Richard, Philippe; Brandès, Stéphane; Devillers, Charles H.; Romieu, Anthony; Le Gendre, Pierre; Fleurat-Lessard, Paul","Reappraising Schmidpeter's bis(iminophosphoranyl)phosphides: coordination to transition metals and bonding analysis.","Chemical science","2020","12","1","253","269","10.1039/d0sc04736h","","x-ray","0.71073","MoKα","","0.0335","0.0277","","","0.0653","0.0681","","","","","","1.037","","","","has coordinates,has disorder","267045","2021-07-05","16:43:29",""
"1560007","11.7665","0.0019","13.781","0.002","20.643","0.003","82.299","0.004","86.711","0.004","80.965","0.004","3273.7","0.9","115","","115","","","","","","","","","8","P -1","-P 1","2","","","","- C77 H70 B Cl2 N2 O2 P3 Ti -","- C77 H70 B Cl2 N2 O2 P3 Ti -","- C154 H140 B2 Cl4 N4 O4 P6 Ti2 -","2","1","","Normand, Adrien T.; Sosa Carrizo, E. Daiann; Magnoux, Corentin; Lobato, Esteban; Cattey, Hélène; Richard, Philippe; Brandès, Stéphane; Devillers, Charles H.; Romieu, Anthony; Le Gendre, Pierre; Fleurat-Lessard, Paul","Reappraising Schmidpeter's bis(iminophosphoranyl)phosphides: coordination to transition metals and bonding analysis.","Chemical science","2020","12","1","253","269","10.1039/d0sc04736h","","x-ray","0.71073","MoKα","","0.1179","0.0594","","","0.14","0.1675","","","","","","1.024","","","","has coordinates","267045","2021-07-05","16:43:29",""
"1560008","31.2123","0.0012","11.3573","0.0004","16.6578","0.0007","90","","111.69","0.001","90","","5486.9","0.4","99.99","","99.99","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H76 Cu2 N4 P6 -","- C48 H76 Cu2 N4 P6 -","- C192 H304 Cu8 N16 P24 -","4","0.5","","Normand, Adrien T.; Sosa Carrizo, E. Daiann; Magnoux, Corentin; Lobato, Esteban; Cattey, Hélène; Richard, Philippe; Brandès, Stéphane; Devillers, Charles H.; Romieu, Anthony; Le Gendre, Pierre; Fleurat-Lessard, Paul","Reappraising Schmidpeter's bis(iminophosphoranyl)phosphides: coordination to transition metals and bonding analysis.","Chemical science","2020","12","1","253","269","10.1039/d0sc04736h","","x-ray","0.71073","MoKα","","0.0448","0.0302","","","0.0654","0.0711","","","","","","1.021","","","","has coordinates","267045","2021-07-05","16:43:29",""
"1560009","19.7139","0.0008","17.7743","0.0009","20.2496","0.0009","90","","112.411","0.001","90","","6559.6","0.5","115","","115","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H47 Cl N3 P3 Ti -","- C28 H47 Cl N3 P3 Ti -","- C224 H376 Cl8 N24 P24 Ti8 -","8","2","","Normand, Adrien T.; Sosa Carrizo, E. Daiann; Magnoux, Corentin; Lobato, Esteban; Cattey, Hélène; Richard, Philippe; Brandès, Stéphane; Devillers, Charles H.; Romieu, Anthony; Le Gendre, Pierre; Fleurat-Lessard, Paul","Reappraising Schmidpeter's bis(iminophosphoranyl)phosphides: coordination to transition metals and bonding analysis.","Chemical science","2020","12","1","253","269","10.1039/d0sc04736h","","x-ray","0.71073","MoKα","","0.0437","0.03","","","0.0675","0.0759","","","","","","1.059","","","","has coordinates","267045","2021-07-05","16:43:29",""
"1560010","11.1686","0.0013","15.39","0.002","16.608","0.002","90","","99.796","0.006","90","","2813","0.6","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H38 Cl2 N2 P3 Ti -","- C24 H38 Cl2 N2 P3 Ti -","- C96 H152 Cl8 N8 P12 Ti4 -","4","1","","Normand, Adrien T.; Sosa Carrizo, E. Daiann; Magnoux, Corentin; Lobato, Esteban; Cattey, Hélène; Richard, Philippe; Brandès, Stéphane; Devillers, Charles H.; Romieu, Anthony; Le Gendre, Pierre; Fleurat-Lessard, Paul","Reappraising Schmidpeter's bis(iminophosphoranyl)phosphides: coordination to transition metals and bonding analysis.","Chemical science","2020","12","1","253","269","10.1039/d0sc04736h","","x-ray","0.71073","MoKα","","0.0395","0.0295","","","0.0624","0.0685","","","","","","1.086","","","","has coordinates,has disorder","267045","2021-07-05","16:43:29",""
"1560011","12.209","0.003","12.264","0.003","15.876","0.004","97.041","0.006","99.249","0.006","98.343","0.006","2295.3","1","115","","115","","","","","","","","","6","P -1","-P 1","2","","","","- C45 H44 Cl N4 P3 Ti -","- C45 H44 Cl N4 P3 Ti -","- C90 H88 Cl2 N8 P6 Ti2 -","2","1","","Normand, Adrien T.; Sosa Carrizo, E. Daiann; Magnoux, Corentin; Lobato, Esteban; Cattey, Hélène; Richard, Philippe; Brandès, Stéphane; Devillers, Charles H.; Romieu, Anthony; Le Gendre, Pierre; Fleurat-Lessard, Paul","Reappraising Schmidpeter's bis(iminophosphoranyl)phosphides: coordination to transition metals and bonding analysis.","Chemical science","2020","12","1","253","269","10.1039/d0sc04736h","","","0.71073","MoKα","","0.1959","0.0693","","","0.1415","0.1892","","","","","","0.92","","","","has coordinates","267045","2021-07-05","16:43:29",""
"1560012","12.4622","0.0007","22.1019","0.0012","15.1862","0.0005","90","","94.567","0.001","90","","4169.6","0.4","115","","115","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C47 H47 Cl N3 P3 Ti -","- C47 H47 Cl N3 P3 Ti -","- C188 H188 Cl4 N12 P12 Ti4 -","4","1","","Normand, Adrien T.; Sosa Carrizo, E. Daiann; Magnoux, Corentin; Lobato, Esteban; Cattey, Hélène; Richard, Philippe; Brandès, Stéphane; Devillers, Charles H.; Romieu, Anthony; Le Gendre, Pierre; Fleurat-Lessard, Paul","Reappraising Schmidpeter's bis(iminophosphoranyl)phosphides: coordination to transition metals and bonding analysis.","Chemical science","2020","12","1","253","269","10.1039/d0sc04736h","","x-ray","0.71073","MoKα","","0.0651","0.0458","","","0.1056","0.1157","","","","","","1.028","","","","has coordinates,has disorder","267045","2021-07-05","16:43:29",""
"1560015","8.3649","0.0002","10.0504","0.0002","10.2831","0.0003","73.682","0.002","70.348","0.001","86.635","0.001","780.74","0.03","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H24 O2 -","- C18 H24 O2 -","- C36 H48 O4 -","2","1","","Kleinmans, Roman; Will, Leon E.; Schwarz, J. Luca; Glorius, Frank","Photoredox-enabled 1,2-dialkylation of α-substituted acrylates via Ireland‒Claisen rearrangement","Chemical Science","2021","12","8","2816","2822","10.1039/D0SC06385A","","","1.54178","CuKα","","0.0862","0.0709","","","0.1768","0.1895","","","","","","1.072","","","","has coordinates","263681","2021-04-05","14:18:09",""
"1560016","6.3005","0.0003","10.5228","0.0005","10.9791","0.0005","65.837","0.003","82.374","0.003","88.124","0.004","658.07","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H21 N O2 S -","- C12 H21 N O2 S -","- C24 H42 N2 O4 S2 -","2","1","","Kleinmans, Roman; Will, Leon E.; Schwarz, J. Luca; Glorius, Frank","Photoredox-enabled 1,2-dialkylation of α-substituted acrylates via Ireland‒Claisen rearrangement","Chemical Science","2021","12","8","2816","2822","10.1039/D0SC06385A","","","1.54178","CuKα","","0.1147","0.0643","","","0.1657","0.2026","","","","","","1.035","","","","has coordinates,has disorder","263681","2021-04-05","14:18:11",""
"1560017","10.5885","0.0004","8.3629","0.0003","20.6387","0.0007","90","","99.927","0.002","90","","1800.21","0.11","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H26 O2 -","- C22 H26 O2 -","- C88 H104 O8 -","4","1","","Kleinmans, Roman; Will, Leon E.; Schwarz, J. Luca; Glorius, Frank","Photoredox-enabled 1,2-dialkylation of α-substituted acrylates via Ireland‒Claisen rearrangement","Chemical Science","2021","12","8","2816","2822","10.1039/D0SC06385A","","","1.54178","CuKα","","0.0732","0.0469","","","0.1056","0.1201","","","","","","1.04","","","","has coordinates","263681","2021-04-05","14:18:16",""
"1560018","8.9009","0.0006","10.4501","0.0007","17.0815","0.0011","104.343","0.002","91.133","0.002","112.507","0.002","1410.37","0.16","110","2","110.03","","","","","","","","","5","P -1","-P 1","2","","","","- C35 H35 N2 O P -","- C35 H35 N2 O P -","- C70 H70 N4 O2 P2 -","2","1","","Litle, Elishua D.; Wilkins, Lewis C.; Gabbaï, François P.","Ligand-enforced intimacy between a gold cation and a carbenium ion: impact on stability and reactivity","Chemical Science","2021","12","11","3929","3936","10.1039/D0SC05777K","","","1.54178","CuKα","","0.0353","0.0339","","","0.0861","0.0874","","","","","","1.051","","","","has coordinates","263702","2021-04-05","14:26:46",""
"1560019","8.2229","0.0005","12.4346","0.0006","13.1943","0.0007","108.632","0.002","96.25","0.002","93.485","0.002","1264.24","0.12","110","2","110","","","","","","","","","5","P -1","-P 1","2","","","","- C33 H30 N O P -","- C33 H30 N O P -","- C66 H60 N2 O2 P2 -","2","1","","Litle, Elishua D.; Wilkins, Lewis C.; Gabbaï, François P.","Ligand-enforced intimacy between a gold cation and a carbenium ion: impact on stability and reactivity","Chemical Science","2021","12","11","3929","3936","10.1039/D0SC05777K","","x-ray","0.71073","MoKα","","0.0675","0.0485","","","0.1202","0.1335","","","","","","1.03","","","","has coordinates","263702","2021-04-05","14:26:48",""
"1560020","7.4114","0.0004","15.707","0.0007","22.5898","0.0011","90","","92.536","0.002","90","","2627.1","0.2","110","2","109.98","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H22 F3 O4 P S -","- C32 H22 F3 O4 P S -","- C128 H88 F12 O16 P4 S4 -","4","1","","Litle, Elishua D.; Wilkins, Lewis C.; Gabbaï, François P.","Ligand-enforced intimacy between a gold cation and a carbenium ion: impact on stability and reactivity","Chemical Science","2021","12","11","3929","3936","10.1039/D0SC05777K","","x-ray","1.54178","CuKα","","0.0876","0.0821","","","0.2302","0.2373","","","","","","1.042","","","","has coordinates,has disorder","263702","2021-04-05","14:26:50",""
"1560021","8.0035","0.0007","27.389","0.002","12.6664","0.001","90","","90","","90","","2776.6","0.4","110","2","110","","","","","","","","","7","P n a 21","P 2c -2n","33","","C33H25F3NO3PS","","- C33 H25 F3 N O3 P S -","- C33 H25 F3 N O3 P S -","- C132 H100 F12 N4 O12 P4 S4 -","4","1","","Litle, Elishua D.; Wilkins, Lewis C.; Gabbaï, François P.","Ligand-enforced intimacy between a gold cation and a carbenium ion: impact on stability and reactivity","Chemical Science","2021","12","11","3929","3936","10.1039/D0SC05777K","","x-ray","0.71073","MoKα","","0.0512","0.0448","","","0.097","0.1003","","","","","","1.096","","","","has coordinates","263702","2021-04-05","14:26:50",""
"1560022","8.9602","0.0005","11.4072","0.0006","28.9126","0.0015","90","","93.074","0.002","90","","2950.9","0.3","110","2","110","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H29 F3 N O3 P S -","- C34 H29 F3 N O3 P S -","- C136 H116 F12 N4 O12 P4 S4 -","4","1","","Litle, Elishua D.; Wilkins, Lewis C.; Gabbaï, François P.","Ligand-enforced intimacy between a gold cation and a carbenium ion: impact on stability and reactivity","Chemical Science","2021","12","11","3929","3936","10.1039/D0SC05777K","","x-ray","0.71073","MoKα","","0.0862","0.0776","","","0.178","0.188","","","","","","1.34","","","","has coordinates","263702","2021-04-05","14:26:50",""
"1560023","16.162","0.001","12.9217","0.0008","14.4246","0.0009","90","","107.362","0.002","90","","2875.2","0.3","110","2","110.01","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","C33H25F3NO3PS","","- C33 H25 F3 N O3 P S -","- C33 H25 F3 N O3 P S -","- C132 H100 F12 N4 O12 P4 S4 -","4","1","","Litle, Elishua D.; Wilkins, Lewis C.; Gabbaï, François P.","Ligand-enforced intimacy between a gold cation and a carbenium ion: impact on stability and reactivity","Chemical Science","2021","12","11","3929","3936","10.1039/D0SC05777K","","","1.54178","CuKα","","0.0478","0.0428","","","0.1114","0.117","","","","","","1.045","","","","has coordinates","263702","2021-04-05","14:26:50",""
"1560024","11.0775","0.0009","19.2817","0.0016","15.3042","0.0013","90","","104","0.003","90","","3171.8","0.5","110","2","110","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H34 F3 N2 O3 P S -","- C36 H34 F3 N2 O3 P S -","- C144 H136 F12 N8 O12 P4 S4 -","4","1","","Litle, Elishua D.; Wilkins, Lewis C.; Gabbaï, François P.","Ligand-enforced intimacy between a gold cation and a carbenium ion: impact on stability and reactivity","Chemical Science","2021","12","11","3929","3936","10.1039/D0SC05777K","","x-ray","0.71073","MoKα","","0.0731","0.048","","","0.1123","0.1277","","","","","","1.044","","","","has coordinates","263702","2021-04-05","14:26:50",""
"1560025","8.2171","0.0006","20.0635","0.0013","9.9302","0.0006","90","","111.472","0.002","90","","1523.51","0.18","110","2","110","","","","","","","","","8","P 1 21 1","P 2yb","4","","C33H29AuBClF4NP","","- C33 H29 Au B Cl F4 N P -","- C33 H29 Au B Cl F4 N P -","- C66 H58 Au2 B2 Cl2 F8 N2 P2 -","2","1","","Litle, Elishua D.; Wilkins, Lewis C.; Gabbaï, François P.","Ligand-enforced intimacy between a gold cation and a carbenium ion: impact on stability and reactivity","Chemical Science","2021","12","11","3929","3936","10.1039/D0SC05777K","","x-ray","0.71073","MoKα","","0.0345","0.031","","","0.0558","0.0571","","","","","","1.098","","","","has coordinates,has disorder","263702","2021-04-05","14:26:50",""
"1560026","16.5012","0.0019","15.8634","0.0017","13.7254","0.0016","90","","92.673","0.004","90","","3588.9","0.7","110.04","0.02","110.04","0.02","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C36 H33 Au B2 F8 N P S -","- C36 H33 Au B2 F8 N P S -","- C144 H132 Au4 B8 F32 N4 P4 S4 -","4","1","","Litle, Elishua D.; Wilkins, Lewis C.; Gabbaï, François P.","Ligand-enforced intimacy between a gold cation and a carbenium ion: impact on stability and reactivity","Chemical Science","2021","12","11","3929","3936","10.1039/D0SC05777K","","","0.71073","MoKα","","0.0619","0.045","","","0.1132","0.1286","","","","","","1.056","","","","has coordinates,has disorder","263702","2021-04-05","14:26:50",""
"1560027","8.2911","0.0007","15.0763","0.0013","14.2431","0.0012","90","","97.96","0.004","90","","1763.2","0.3","110","2","110","","","","","","","","","8","P 1 21 1","P 2yb","4","","C37H37AuB2F8NPS","","- C37 H37 Au B2 F8 N P S -","- C37 H37 Au B2 F8 N P S -","- C74 H74 Au2 B4 F16 N2 P2 S2 -","2","1","","Litle, Elishua D.; Wilkins, Lewis C.; Gabbaï, François P.","Ligand-enforced intimacy between a gold cation and a carbenium ion: impact on stability and reactivity","Chemical Science","2021","12","11","3929","3936","10.1039/D0SC05777K","","x-ray","1.54178","CuKα","","0.0408","0.0403","","","0.1051","0.1054","","","","","","1.115","","","","has coordinates,has disorder","263702","2021-04-05","14:26:50",""
"1560028","10.2268","0.0008","8.5127","0.0008","45.347","0.004","90","","94.336","0.002","90","","3936.5","0.6","125","2","125","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","C39H42AuB2F8N2PS","","- C39 H42 Au B2 F8 N2 P S -","- C39 H42 Au B2 F8 N2 P S -","- C156 H168 Au4 B8 F32 N8 P4 S4 -","4","1","","Litle, Elishua D.; Wilkins, Lewis C.; Gabbaï, François P.","Ligand-enforced intimacy between a gold cation and a carbenium ion: impact on stability and reactivity","Chemical Science","2021","12","11","3929","3936","10.1039/D0SC05777K","","","0.71073","MoKα","","0.1908","0.1456","","","0.2693","0.286","","","","","","1.265","","","","has coordinates","263702","2021-04-05","14:26:50",""
"1560029","20.6017","0.0008","8.5026","0.0003","20.569","0.0007","90","","118.012","0.001","90","","3180.9","0.2","110","2","110.02","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C35 H34 Au B Cl F4 N2 P -","- C35 H34 Au B Cl F4 N2 P -","- C140 H136 Au4 B4 Cl4 F16 N8 P4 -","4","1","","Litle, Elishua D.; Wilkins, Lewis C.; Gabbaï, François P.","Ligand-enforced intimacy between a gold cation and a carbenium ion: impact on stability and reactivity","Chemical Science","2021","12","11","3929","3936","10.1039/D0SC05777K","","x-ray","1.54178","CuKα","","0.0287","0.0248","","","0.0578","0.0616","","","","","","1.122","","","","has coordinates","263702","2021-04-05","14:26:50",""
"1560030","8.0106","0.0007","12.2124","0.0012","19.0728","0.0018","99.359","0.003","93.578","0.003","101.894","0.003","1792.6","0.3","110","2","110","","","","","","","","","9","P -1","-P 1","2","","","","- C36 H32 Au B2 Cl2 F8 O P S -","- C36 H32 Au B2 Cl2 F8 O P S -","- C72 H64 Au2 B4 Cl4 F16 O2 P2 S2 -","2","1","","Litle, Elishua D.; Wilkins, Lewis C.; Gabbaï, François P.","Ligand-enforced intimacy between a gold cation and a carbenium ion: impact on stability and reactivity","Chemical Science","2021","12","11","3929","3936","10.1039/D0SC05777K","","x-ray","0.71073","MoKα","","0.0489","0.0341","","","0.0623","0.0671","","","","","","1.04","","","","has coordinates","263702","2021-04-05","14:26:50",""
"1560031","10.5444","0.0003","18.4631","0.0004","31.5083","0.0007","90","","90","","90","","6134.1","0.3","99.9","0.6","99.9","0.6","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","1","1","","- C52 H96 O Si8 U2 -","- C52 H96 O Si8 U2 -","- C208 H384 O4 Si32 U8 -","4","1","","Tsoureas, Nikolaos; Mansikkamäki, Akseli; Layfield, Richard A.","Synthesis, bonding properties and ether activation reactivity of cyclobutadienyl-ligated hybrid uranocenes","Chemical Science","2021","12","8","2948","2954","10.1039/D0SC05199C","","x-ray","1.54184","CuKα","","0.0317","0.0287","","","0.0619","0.0637","","","","","","1.029","","","","has coordinates","263685","2021-04-05","14:19:37",""
"1560032","17.5935","0.0003","9.977","0.0002","18.6747","0.0004","90","","110.001","0.002","90","","3080.27","0.11","100","2","100.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","5","5","","- C26 H50 O Si4 U -","- C26 H50 O Si4 U -","- C104 H200 O4 Si16 U4 -","4","1","","Tsoureas, Nikolaos; Mansikkamäki, Akseli; Layfield, Richard A.","Synthesis, bonding properties and ether activation reactivity of cyclobutadienyl-ligated hybrid uranocenes","Chemical Science","2021","12","8","2948","2954","10.1039/D0SC05199C","","x-ray","1.54184","CuKα","","0.0366","0.0358","","","0.0954","0.0967","","","","","","1.076","","","","has coordinates","263685","2021-04-05","14:19:37",""
"1560033","20.3708","0.0002","20.3708","0.0002","16.6734","0.0003","90","","90","","90","","6918.95","0.16","99.9","0.5","99.9","0.5","","","","","","","","5","P -4","P -4","81","2 and 3","2 and 3","","- C58.34 H113.47 O Si9 U2 -","- C58.34 H113.46 O Si9 U2 -","- C233.36 H453.84 O4 Si36 U8 -","4","1","","Tsoureas, Nikolaos; Mansikkamäki, Akseli; Layfield, Richard A.","Synthesis, bonding properties and ether activation reactivity of cyclobutadienyl-ligated hybrid uranocenes","Chemical Science","2021","12","8","2948","2954","10.1039/D0SC05199C","","x-ray","1.54184","CuKα","","0.0681","0.0658","","","0.1594","0.1616","","","","","","1.076","","","","has coordinates,has disorder","263685","2021-04-05","14:19:37",""
"1560034","26.7057","0.0003","15.99077","0.00015","26.5612","0.0004","90","","117.35","0.0017","90","","10074.9","0.3","99.9","0.9","99.9","0.9","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C84 H168 Si12 U2 -","- C84 H168 Si12 U2 -","- C336 H672 Si48 U8 -","4","1","","Tsoureas, Nikolaos; Mansikkamäki, Akseli; Layfield, Richard A.","Synthesis, bonding properties and ether activation reactivity of cyclobutadienyl-ligated hybrid uranocenes","Chemical Science","2021","12","8","2948","2954","10.1039/D0SC05199C","","x-ray","1.54184","CuKα","","0.0581","0.05","","","0.1241","0.1306","","","","","","1.061","","","","has coordinates,has disorder","263685","2021-04-05","14:19:37",""
"1560035","31.8409","0.0002","31.8409","0.0002","11.0234","0.0001","90","","90","","90","","11176","0.14","100","0.1","100","0.1","","","","","","","","4","I 41/a :2","-I 4ad","88","3","C24H44Si4U","","- C24 H44 Si4 U -","- C24 H44 Si4 U -","- C384 H704 Si64 U16 -","16","1","","Tsoureas, Nikolaos; Mansikkamäki, Akseli; Layfield, Richard A.","Synthesis, bonding properties and ether activation reactivity of cyclobutadienyl-ligated hybrid uranocenes","Chemical Science","2021","12","8","2948","2954","10.1039/D0SC05199C","","x-ray","1.54184","CuKα","","0.0313","0.0266","","","0.0591","0.0617","","","","","","1.026","","","","has coordinates","263685","2021-04-05","14:19:37",""
"1560036","11.40224","0.00011","16.98119","0.00018","17.03377","0.00015","90","","90","","90","","3298.14","0.06","100","0.2","100","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","2","C28H52OSi4U","","- C28 H52 O Si4 U -","- C28 H52 O Si4 U -","- C112 H208 O4 Si16 U4 -","4","1","","Tsoureas, Nikolaos; Mansikkamäki, Akseli; Layfield, Richard A.","Synthesis, bonding properties and ether activation reactivity of cyclobutadienyl-ligated hybrid uranocenes","Chemical Science","2021","12","8","2948","2954","10.1039/D0SC05199C","","x-ray","1.54184","CuKα","","0.0281","0.0273","","","0.0641","0.0647","","","","","","1.023","","","","has coordinates,has disorder","263685","2021-04-05","14:19:37",""
"1560037","7.5552","0.0005","9.5169","0.0006","11.8279","0.0006","76.651","0.005","84.11","0.005","72.543","0.006","788.85","0.09","150","0.1","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H48 N4 P2 -","- C34 H48 N4 P2 -","- C34 H48 N4 P2 -","1","0.5","","Lücke, Marcel-Philip; Yao, Shenglai; Driess, Matthias","Boosting homogeneous chemoselective hydrogenation of olefins mediated by a bis(silylenyl)terphenyl-nickel(0) pre-catalyst","Chemical Science","2021","12","8","2909","2915","10.1039/D0SC06471H","","","1.54184","CuKα","","0.0396","0.0377","","","0.102","0.1039","","","","","","1.05","","","","has coordinates","263682","2021-04-05","14:18:28",""
"1560038","25.072","0.0015","9.1667","0.0004","19.7603","0.0011","90","","99.889","0.006","90","","4474","0.4","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C48 H58 N4 Si2 -","- C48 H58 N4 Si2 -","- C192 H232 N16 Si8 -","4","0.5","","Lücke, Marcel-Philip; Yao, Shenglai; Driess, Matthias","Boosting homogeneous chemoselective hydrogenation of olefins mediated by a bis(silylenyl)terphenyl-nickel(0) pre-catalyst","Chemical Science","2021","12","8","2909","2915","10.1039/D0SC06471H","","","0.71073","MoKα","","0.1185","0.0632","","","0.1412","0.1746","","","","","","1.023","","","","has coordinates,has disorder","263682","2021-04-05","14:18:36",""
"1560039","10.1955","0.0003","10.3773","0.0003","16.0898","0.0006","76.412","0.003","80.446","0.003","88.451","0.003","1631.6","0.09","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H48 N4 Ni P2 -","- C34 H48 N4 Ni P2 -","- C68 H96 N8 Ni2 P4 -","2","1","","Lücke, Marcel-Philip; Yao, Shenglai; Driess, Matthias","Boosting homogeneous chemoselective hydrogenation of olefins mediated by a bis(silylenyl)terphenyl-nickel(0) pre-catalyst","Chemical Science","2021","12","8","2909","2915","10.1039/D0SC06471H","","","1.54184","CuKα","","0.0348","0.0326","","","0.0856","0.087","","","","","","1.05","","","","has coordinates","263682","2021-04-05","14:18:39",""
"1560040","9.1662","0.0005","26.4418","0.0013","9.8935","0.0006","90","","90.567","0.005","90","","2397.8","0.2","150","2","150","0.1","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C55 H66 N4 Ni Si2 -","- C55 H66 N4 Ni Si2 -","- C110 H132 N8 Ni2 Si4 -","2","0.5","","Lücke, Marcel-Philip; Yao, Shenglai; Driess, Matthias","Boosting homogeneous chemoselective hydrogenation of olefins mediated by a bis(silylenyl)terphenyl-nickel(0) pre-catalyst","Chemical Science","2021","12","8","2909","2915","10.1039/D0SC06471H","","x-ray","1.54184","CuKα","","0.1221","0.0982","","","0.2212","0.2417","","","","","","1.194","","","","has coordinates,has disorder","263682","2021-04-05","14:18:47",""
"1560078","17.214","0.002","14.4042","0.0016","5.5668","0.0007","90","","90","","90","","1380.3","0.3","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","9-benzoylcarbazole","","- C19 H13 N O -","- C19 H13 N O -","- C76 H52 N4 O4 -","4","1","","Li, Hui; Li, Huanhuan; Gu, Jie; He, Fei; Peng, Hao; Tao, Ye; Tian, Dan; Yang, Qingqing; Li, Ping; Zheng, Chao; Huang, Wei; Chen, Runfeng","Fluorine-induced aggregate-interlocking for color-tunable organic afterglow with a simultaneously improved efficiency and lifetime","Chemical Science","2021","12","10","3580","3586","10.1039/D0SC06025A","","","1.54178","CuK\α","","0.085","0.051","","0.074","","0.059","","","0.972","","","0.968","","","","has coordinates","263669","2021-04-05","14:13:56",""
"1560079","11.8585","0.0009","10.3783","0.0007","22.8559","0.0016","90","","90","","90","","2812.9","0.3","296","2","296.23","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H12 F N O -","- C19 H12 F N O -","- C152 H96 F8 N8 O8 -","8","1","","Li, Hui; Li, Huanhuan; Gu, Jie; He, Fei; Peng, Hao; Tao, Ye; Tian, Dan; Yang, Qingqing; Li, Ping; Zheng, Chao; Huang, Wei; Chen, Runfeng","Fluorine-induced aggregate-interlocking for color-tunable organic afterglow with a simultaneously improved efficiency and lifetime","Chemical Science","2021","12","10","3580","3586","10.1039/D0SC06025A","","","0.71073","MoKα","","0.076","0.0459","","","0.1022","0.1179","","","","","","1.041","","","","has coordinates","263669","2021-04-05","14:13:56",""
"1560080","14.608","0.003","5.4287","0.0011","18.371","0.004","90","","107.996","0.005","90","","1385.6","0.5","293","2","293.57","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H12 F N O -","- C19 H12 F N O -","- C76 H48 F4 N4 O4 -","4","1","","Li, Hui; Li, Huanhuan; Gu, Jie; He, Fei; Peng, Hao; Tao, Ye; Tian, Dan; Yang, Qingqing; Li, Ping; Zheng, Chao; Huang, Wei; Chen, Runfeng","Fluorine-induced aggregate-interlocking for color-tunable organic afterglow with a simultaneously improved efficiency and lifetime","Chemical Science","2021","12","10","3580","3586","10.1039/D0SC06025A","","","0.71073","MoKα","","0.1343","0.0551","","","0.1186","0.1624","","","","","","1.035","","","","has coordinates","263669","2021-04-05","14:13:56",""
"1560081","8.9406","0.0017","22.597","0.004","7.0302","0.0012","90","","91.313","0.005","90","","1419.9","0.4","298","2","297.79","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H12 F N O -","- C19 H12 F N O -","- C76 H48 F4 N4 O4 -","4","1","","Li, Hui; Li, Huanhuan; Gu, Jie; He, Fei; Peng, Hao; Tao, Ye; Tian, Dan; Yang, Qingqing; Li, Ping; Zheng, Chao; Huang, Wei; Chen, Runfeng","Fluorine-induced aggregate-interlocking for color-tunable organic afterglow with a simultaneously improved efficiency and lifetime","Chemical Science","2021","12","10","3580","3586","10.1039/D0SC06025A","","","0.71073","MoKα","","0.0879","0.0594","","","0.139","0.1499","","","","","","1.144","","","","has coordinates","263669","2021-04-05","14:13:56",""
"1560082","14.7734","0.0002","17.4936","0.0003","18.6427","0.0003","90","","90.2338","0.0013","90","","4817.98","0.13","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C56 H63 N5 O4 -","- C56 H63 N5 O4 -","- C224 H252 N20 O16 -","4","1","","Villarón, David; Siegler, Maxime A.; Wezenberg, Sander J.","A photoswitchable strapped calix[4]pyrrole receptor: highly effective chloride binding and release","Chemical Science","2021","12","9","3188","3193","10.1039/D0SC06686A","","","1.54178","CuKα","","0.0483","0.0408","","","0.1029","0.1089","","","","","","1.038","","","","has coordinates,has disorder","263698","2021-04-05","14:23:02",""
"1560083","16.1432","0.0003","18.3888","0.0004","24.571","0.0006","94.772","0.002","109.004","0.002","106.661","0.002","6480.2","0.3","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C108 H98 Mn4 Mo9 N3 O43 P5 -","- C108 H98 Mn4 Mo9 N3 O43 P5 -","- C216 H196 Mn8 Mo18 N6 O86 P10 -","2","1","","Li, Chifeng; Jimbo, Atsuhiro; Yamaguchi, Kazuya; Suzuki, Kosuke","A protecting group strategy to access stable lacunary polyoxomolybdates for introducing multinuclear metal clusters","Chemical Science","2021","12","4","1240","1244","10.1039/D0SC06133F","","","0.71073","MoKα","","0.1362","0.0911","","","0.2306","0.2609","","","","","","1.081","","","","has coordinates","262533","2021-03-05","01:33:02",""
"1560084","17.3006","0.0004","19.39","0.0004","20.7716","0.0004","95.31","0.002","112.975","0.002","99.33","0.002","6236.6","0.3","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C174 H174 Cl20 Mn6 Mo18 O74 P8 -","- C174 H174 Cl20 Mn6 Mo18 O74 P8 -","- C174 H174 Cl20 Mn6 Mo18 O74 P8 -","1","0.5","","Li, Chifeng; Jimbo, Atsuhiro; Yamaguchi, Kazuya; Suzuki, Kosuke","A protecting group strategy to access stable lacunary polyoxomolybdates for introducing multinuclear metal clusters","Chemical Science","2021","12","4","1240","1244","10.1039/D0SC06133F","","","0.71073","MoKα","","0.0971","0.0655","","","0.1691","0.1928","","","","","","1.068","","","","has coordinates","262533","2021-03-05","01:33:02",""
"1560085","8.01647","0.00019","16.3246","0.0004","15.049","0.0004","90","","92.985","0.002","90","","1966.73","0.09","100.01","0.1","100.01","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H33 Ir -","- C22 H33 Ir -","- C88 H132 Ir4 -","4","1","","Tian, Yancong; Jakoobi, Martin; Boulatov, Roman; Sergeev, Alexey G.","Selective cleavage of unactivated arene ring C‒C bonds by iridium: key roles of benzylic C‒H activation and metal‒metal cooperativity","Chemical Science","2021","12","10","3568","3579","10.1039/D0SC05900E","","x-ray","1.54184","CuKα","","0.0379","0.0342","","","0.0893","0.0911","","","","","","1.084","","","","has coordinates","263676","2021-04-05","14:17:05",""
"1560086","22.2884","0.0004","22.2818","0.0004","26.1267","0.0005","90","","97.5244","0.0017","90","","12863.5","0.4","100.01","0.1","100.01","0.1","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C20 H23 Ir -","- C20 H23 Ir -","- C640 H736 Ir32 -","32","8","","Tian, Yancong; Jakoobi, Martin; Boulatov, Roman; Sergeev, Alexey G.","Selective cleavage of unactivated arene ring C–C bonds by iridium: key roles of benzylic C–H activation and metal–metal cooperativity","Chemical Science","2021","12","10","3568","3579","10.1039/D0SC05900E","","x-ray","0.71073","MoKα","","0.0433","0.0264","","","0.0473","0.053","","","","","","0.998","","","","has coordinates","276143","2022-06-22","06:24:16",""
"1560094","8.0941","0.0008","17.5936","0.0015","32.602","0.003","90","","90","","90","","4642.7","0.7","102","2","102","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","TB-343","","","- C51 H48 O6 S -","- C51 H48 O6 S -","- C204 H192 O24 S4 -","4","1","","Bartelmann, Thomas; Gnannt, Frederik; Zitzmann, Max; Mayer, Peter; Dube, Henry","Sulfoxide hemithioindigo tweezers ‒ visible light addressable capture and release","Chemical Science","2021","12","10","3651","3659","10.1039/D0SC04981F","","","0.71073","MoKα","","0.0792","0.0526","","","0.1203","0.1335","","","","","","1.058","","","","has coordinates","263679","2021-04-05","14:17:42",""
"1560095","16.8853","0.0007","15.2569","0.0007","15.7122","0.0008","90","","91.701","0.001","90","","4046","0.3","120","","120","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C36 H53 B N6 O3 P2 Pd W -","- C36 H53 B N6 O3 P2 Pd W -","- C144 H212 B4 N24 O12 P8 Pd4 W4 -","4","1","","Osipova, Elena S.; Gulyaeva, Ekaterina S.; Gutsul, Evgenii I.; Kirkina, Vladislava A.; Pavlov, Alexander A.; Nelyubina, Yulia V.; Rossin, Andrea; Peruzzini, Maurizio; Epstein, Lina M.; Belkova, Natalia V.; Filippov, Oleg A.; Shubina, Elena S.","Bifunctional activation of amine-boranes by the W/Pd bimetallic analogs of “frustrated Lewis pairs”","Chemical Science","2021","12","10","3682","3692","10.1039/D0SC06114J","","","0.71073","MoKα","","0.0609","0.0386","","","0.0724","0.0813","","","","","","0.984","","","","has coordinates","263674","2021-04-05","14:16:41",""
"1560096","8.2012","0.0002","37.372","0.0008","10.9355","0.0002","90","","103.388","0.001","90","","3260.59","0.12","120","","120","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H48 O3 P2 Pd W -","- C32 H48 O3 P2 Pd W -","- C128 H192 O12 P8 Pd4 W4 -","4","1","","Osipova, Elena S.; Gulyaeva, Ekaterina S.; Gutsul, Evgenii I.; Kirkina, Vladislava A.; Pavlov, Alexander A.; Nelyubina, Yulia V.; Rossin, Andrea; Peruzzini, Maurizio; Epstein, Lina M.; Belkova, Natalia V.; Filippov, Oleg A.; Shubina, Elena S.","Bifunctional activation of amine-boranes by the W/Pd bimetallic analogs of “frustrated Lewis pairs”","Chemical Science","2021","12","10","3682","3692","10.1039/D0SC06114J","","","1.54178","CuKα","","0.0626","0.0427","","","0.091","0.1","","","","","","1.03","","","","has coordinates","263674","2021-04-05","14:16:42",""
"1560097","14.1856","0.0008","17.0247","0.0008","9.5406","0.0005","90","","94.364","0.003","90","","2297.4","0.2","190","2","190","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H30 B F2 N O5 -","- C21 H30 B F2 N O5 -","- C84 H120 B4 F8 N4 O20 -","4","1","","Wang, Yandong; Bai, Jingyi; Yang, Youqing; Zhao, Wenxuan; Liang, Yong; Wang, Di; Zhao, Yue; Shi, Zhuangzhi","Rhodium-catalysed selective C‒C bond activation and borylation of cyclopropanes","Chemical Science","2021","12","10","3599","3607","10.1039/D0SC06186G","","","1.34139","GaKα","","0.1197","0.0672","","","0.1819","0.2237","","","","","","1.006","","","","has coordinates","263664","2021-04-05","14:11:48",""
"1560098","9.2163","0.0004","11.7129","0.0005","13.3216","0.0005","90","","108.006","0.001","90","","1367.63","0.1","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H34 Cl2 N2 O6 Rh2 -","- C22 H34 Cl2 N2 O6 Rh2 -","- C44 H68 Cl4 N4 O12 Rh4 -","2","0.5","","Wang, Yandong; Bai, Jingyi; Yang, Youqing; Zhao, Wenxuan; Liang, Yong; Wang, Di; Zhao, Yue; Shi, Zhuangzhi","Rhodium-catalysed selective C‒C bond activation and borylation of cyclopropanes","Chemical Science","2021","12","10","3599","3607","10.1039/D0SC06186G","","","0.71073","MoKα","","0.036","0.0292","","","0.0764","0.0804","","","","","","1.118","","","","has coordinates","263664","2021-04-05","14:11:49",""
"1560099","9.9241","0.0003","11.0168","0.0004","24.6334","0.0009","90","","90","","90","","2693.21","0.16","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H19 N O -","- C14 H19 N O -","- C112 H152 N8 O8 -","8","2","","Wang, Yandong; Bai, Jingyi; Yang, Youqing; Zhao, Wenxuan; Liang, Yong; Wang, Di; Zhao, Yue; Shi, Zhuangzhi","Rhodium-catalysed selective C‒C bond activation and borylation of cyclopropanes","Chemical Science","2021","12","10","3599","3607","10.1039/D0SC06186G","","","1.34139","GaKα","","0.1014","0.0607","","","0.1636","0.2009","","","","","","1.018","","","","has coordinates,has disorder","263664","2021-04-05","14:11:49",""
"1560100","9.3347","0.0013","10.0778","0.0014","16.957","0.003","90","","101.582","0.003","90","","1562.7","0.4","123","2","123","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C23 H16 O -","- C23 H16 O -","- C92 H64 O4 -","4","1","","Uraguchi, Daisuke; Kato, Kohsuke; Ooi, Takashi","o-Quinone methide with overcrowded olefin component as a dehydridation catalyst under aerobic photoirradiation conditions","Chemical Science","2021","12","8","2778","2783","10.1039/D0SC06240E","","","0.71075","MoKα","","0.0487","0.0354","","","0.0765","0.0836","","","","","","1.074","","","","has coordinates","263690","2021-04-05","14:20:23",""
"1560101","10.294","0.003","16.632","0.004","11.319","0.003","90","","112.274","0.002","90","","1793.3","0.8","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 O -","- C26 H20 O -","- C104 H80 O4 -","4","1","","Uraguchi, Daisuke; Kato, Kohsuke; Ooi, Takashi","o-Quinone methide with overcrowded olefin component as a dehydridation catalyst under aerobic photoirradiation conditions","Chemical Science","2021","12","8","2778","2783","10.1039/D0SC06240E","","","0.71075","MoKα","","0.0348","0.0332","","","0.0833","0.0849","","","","","","1.04","","","","has coordinates","263690","2021-04-05","14:20:24",""
"1560102","7.4982","0.0001","19.0172","0.0004","14.6488","0.0003","90","","99.675","0.007","90","","2059.13","0.08","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H21 B F4 O -","- C26 H21 B F4 O -","- C104 H84 B4 F16 O4 -","4","1","","Uraguchi, Daisuke; Kato, Kohsuke; Ooi, Takashi","o-Quinone methide with overcrowded olefin component as a dehydridation catalyst under aerobic photoirradiation conditions","Chemical Science","2021","12","8","2778","2783","10.1039/D0SC06240E","","","1.54187","CuKα","","0.0589","0.0408","","","0.1024","0.11","","","","","","1.054","","","","has coordinates","263690","2021-04-05","14:20:24",""
"1560103","8.441","0.0001","8.6899","0.0001","11.8177","0.0002","97.574","0.001","92.137","0.001","91.817","0.001","858.1","0.02","20","2","20","2","","","","","","","","6","P -1","-P 1","2","","Ammonium nickel hexathiocyanatobismuthate","","- C4 H2.67 Bi0.67 N4.67 Ni0.67 S4 -","- C4 H2.66667 Bi0.666667 N4.66667 Ni0.666667 S4 -","- C12 H8 Bi2 N14 Ni2 S12 -","3","1.5","","Lee, Jie Yie; Ling, Sanliang; Argent, Stephen P.; Senn, Mark S.; Cañadillas-Delgado, Laura; Cliffe, Matthew J.","Controlling multiple orderings in metal thiocyanate molecular perovskites Ax{Ni[Bi(SCN)6]}","Chemical Science","2021","12","10","3516","3525","10.1039/D0SC06619B","","","0.94558","neutrons","","0.046","0.0448","","","0.1111","0.1117","","","","","","1.151","","","","has coordinates","263673","2021-04-05","14:16:33",""
"1560104","8.4472","0.0012","8.7119","0.001","11.9671","0.0009","97.041","0.006","90.364","0.007","91.558","0.009","873.67","0.17","260","2","260","2","","","","","","","","6","P -1","-P 1","2","","ammonium nickel hexathiocyanatobismuthate","","- C4 H2.67 Bi0.67 N4.67 Ni0.67 S4 -","- C4 H2.66667 Bi0.666667 N4.66667 Ni0.666667 S4 -","- C12 H8 Bi2 N14 Ni2 S12 -","3","1.5","","Lee, Jie Yie; Ling, Sanliang; Argent, Stephen P.; Senn, Mark S.; Cañadillas-Delgado, Laura; Cliffe, Matthew J.","Controlling multiple orderings in metal thiocyanate molecular perovskites Ax{Ni[Bi(SCN)6]}","Chemical Science","2021","12","10","3516","3525","10.1039/D0SC06619B","","","0.9455","neutrons","","0.114","0.0963","","","0.2845","0.3111","","","","","","1.266","","","","has coordinates","263673","2021-04-05","14:16:34",""
"1560105","6.9352","0.0006","7.0096","0.0005","12.3675","0.0007","90.894","0.005","104.311","0.007","101.787","0.007","568.89","0.08","120.01","0.1","120.01","0.1","","","","","","","","4","P -1","-P 1","2","","guanidinium thiocyanate","","- C2 H6 N4 S -","- C2 H6 N4 S -","- C8 H24 N16 S4 -","4","2","","Lee, Jie Yie; Ling, Sanliang; Argent, Stephen P.; Senn, Mark S.; Cañadillas-Delgado, Laura; Cliffe, Matthew J.","Controlling multiple orderings in metal thiocyanate molecular perovskites Ax{Ni[Bi(SCN)6]}","Chemical Science","2021","12","10","3516","3525","10.1039/D0SC06619B","","x-ray","1.54184","CuKα","","0.0984","0.0898","","","0.2571","0.2627","","","","","","1.126","","","","has coordinates","263673","2021-04-05","14:16:34",""
"1560106","12.216","0.0001","36.8375","0.0004","24.5263","0.0003","90","","90.224","0.001","90","","11036.9","0.2","120","0.2","120","0.2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","Methylammonium nickel hexathiocyanatobismuthate","","- C7 Bi N7 Ni S6 -","- C7 Bi N7 Ni S6 -","- C168 Bi24 N168 Ni24 S144 -","24","6","","Lee, Jie Yie; Ling, Sanliang; Argent, Stephen P.; Senn, Mark S.; Cañadillas-Delgado, Laura; Cliffe, Matthew J.","Controlling multiple orderings in metal thiocyanate molecular perovskites Ax{Ni[Bi(SCN)6]}","Chemical Science","2021","12","10","3516","3525","10.1039/D0SC06619B","","x-ray","1.54184","CuKα","","0.0517","0.0422","","","0.0916","0.0962","","","","","","1.114","","","","has coordinates,has disorder","263673","2021-04-05","14:16:34",""
"1560107","8.4699","0.0002","8.6913","0.0002","11.9058","0.0003","97.187","0.002","91.149","0.002","91.61","0.002","868.96","0.04","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","ammonium nickel hexathiocyanatobismuthate","","- C6 H4 Bi N7 Ni S6 -","- C6 H4 Bi N7 Ni S6 -","- C12 H8 Bi2 N14 Ni2 S12 -","2","1","","Lee, Jie Yie; Ling, Sanliang; Argent, Stephen P.; Senn, Mark S.; Cañadillas-Delgado, Laura; Cliffe, Matthew J.","Controlling multiple orderings in metal thiocyanate molecular perovskites Ax{Ni[Bi(SCN)6]}","Chemical Science","2021","12","10","3516","3525","10.1039/D0SC06619B","","x-ray","1.54184","CuKα","","0.0233","0.0228","","","0.0644","0.0652","","","","","","1.096","","","","has coordinates","263673","2021-04-05","14:16:34",""
"1560108","8.5073","0.0002","8.5686","0.0002","11.9651","0.0003","97.573","0.001","89.781","0.001","90.997","0.001","864.46","0.04","180","","180","","","","","","","","","6","P -1","-P 1","2","","potassium nickel hexathiocyanatobismuthate","","- C6 Bi K N6 Ni S6 -","- C6 Bi K N6 Ni S6 -","- C12 Bi2 K2 N12 Ni2 S12 -","2","1","","Lee, Jie Yie; Ling, Sanliang; Argent, Stephen P.; Senn, Mark S.; Cañadillas-Delgado, Laura; Cliffe, Matthew J.","Controlling multiple orderings in metal thiocyanate molecular perovskites Ax{Ni[Bi(SCN)6]}","Chemical Science","2021","12","10","3516","3525","10.1039/D0SC06619B","","","0.71073","MoKα","","0.0835","0.0568","","","0.1322","0.1452","","","","","","1.075","","","","has coordinates","263673","2021-04-05","14:16:34",""
"1560109","12.12528","0.00002","12.12528","0.00002","12.12528","0.00002","90","","90","","90","","1782.69","0.005","100","2","100","2","","","","","","","","5","P n -3 :2","-P 2ab 2bc 3","201","","triguanidinium hexanickel(II) pentahexathiocyanatobismuthate","","- C0.92 Bi0.15 N1.25 Ni0.17 S0.86 -","- C0.924333 Bi0.15 N1.25 Ni0.166667 S0.86 -","- C22.184 Bi3.6 N30 Ni4 S20.64 -","24","1","","Lee, Jie Yie; Ling, Sanliang; Argent, Stephen P.; Senn, Mark S.; Cañadillas-Delgado, Laura; Cliffe, Matthew J.","Controlling multiple orderings in metal thiocyanate molecular perovskites Ax{Ni[Bi(SCN)6]}","Chemical Science","2021","12","10","3516","3525","10.1039/D0SC06619B","","","0.6889","","","0.0419","0.0263","","","0.084","0.0866","","","","","","1.043","","","","has coordinates,has disorder","263673","2021-04-05","14:16:34",""
"1560111","11.4716","0.0004","12.6646","0.0005","12.7092","0.0005","85.944","0.001","86.346","0.001","68.446","0.001","1711.6","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C74 H86 Li4 O2 P2 Si4 -","- C74 H86 Li4 O2 P2 Si4 -","- C74 H86 Li4 O2 P2 Si4 -","1","0.5","","Brand, Alexander; Schulz, Stephen; Hepp, Alexander; Weigand, Jan J.; Uhl, Werner","Sterically constrained tricyclic phosphine: redox behaviour, reductive and oxidative cleavage of P‒C bonds, generation of a dilithium phosphaindole as a promising synthon in phosphine chemistry","Chemical Science","2021","12","10","3460","3474","10.1039/D0SC06155G","","","0.71073","MoKα","","0.08","0.0579","","","0.1392","0.1479","","","","","","1.074","","","","has coordinates","263678","2021-04-05","14:17:35",""
"1560112","10.6448","0.0013","12.9069","0.0016","26.22","0.003","90","","92.664","0.004","90","","3598.5","0.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H32 O5 P2 Si2 W -","- C37 H32 O5 P2 Si2 W -","- C148 H128 O20 P8 Si8 W4 -","4","1","","Brand, Alexander; Schulz, Stephen; Hepp, Alexander; Weigand, Jan J.; Uhl, Werner","Sterically constrained tricyclic phosphine: redox behaviour, reductive and oxidative cleavage of P‒C bonds, generation of a dilithium phosphaindole as a promising synthon in phosphine chemistry","Chemical Science","2021","12","10","3460","3474","10.1039/D0SC06155G","","","0.71073","MoKα","","0.0322","0.0253","","","0.0554","0.0575","","","","","","1.049","","","","has coordinates","263678","2021-04-05","14:17:35",""
"1560113","12.2157","0.0004","10.4934","0.0003","22.6538","0.0007","90","","99.262","0.002","90","","2866","0.15","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H32 P2 Si2 -","- C32 H32 P2.0001 Si2 -","- C128 H128 P8.0004 Si8 -","4","1","","Brand, Alexander; Schulz, Stephen; Hepp, Alexander; Weigand, Jan J.; Uhl, Werner","Sterically constrained tricyclic phosphine: redox behaviour, reductive and oxidative cleavage of P‒C bonds, generation of a dilithium phosphaindole as a promising synthon in phosphine chemistry","Chemical Science","2021","12","10","3460","3474","10.1039/D0SC06155G","","","0.71073","MoKα","","0.0571","0.0499","","","0.1167","0.1205","","","","","","1.108","","","","has coordinates,has disorder","263678","2021-04-05","14:17:35",""
"1560114","10.1186","0.0008","18.8541","0.0015","27.477","0.002","90","","91.367","0.003","90","","5240.5","0.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C53 H60 Cl2 O4 P2 Si4 -","- C53 H60 Cl2 O4 P2 Si4 -","- C212 H240 Cl8 O16 P8 Si16 -","4","1","","Brand, Alexander; Schulz, Stephen; Hepp, Alexander; Weigand, Jan J.; Uhl, Werner","Sterically constrained tricyclic phosphine: redox behaviour, reductive and oxidative cleavage of P‒C bonds, generation of a dilithium phosphaindole as a promising synthon in phosphine chemistry","Chemical Science","2021","12","10","3460","3474","10.1039/D0SC06155G","","","0.71073","MoKα","","0.1072","0.0545","","","0.1149","0.1346","","","","","","1.023","","","","has coordinates,has disorder","263678","2021-04-05","14:17:35",""
"1560116","19.796","0.005","8.413","0.002","13.102","0.003","90","","90","","90","","2182.1","0.9","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C12 H32 Cl5 N4 Ti2 -","- C12 H32 Cl5 N4 Ti2 -","- C48 H128 Cl20 N16 Ti8 -","4","1","","Kurogi, Takashi; Kuroki, Kaito; Moritani, Shunsuke; Takai, Kazuhiko","Structural elucidation of a methylenation reagent of esters: synthesis and reactivity of a dinuclear titanium(iii) methylene complex","Chemical Science","2021","12","10","3509","3515","10.1039/D0SC06366E","","","0.71075","MoKα","","0.0559","0.0507","","","0.1171","0.1223","","","","","","1.096","","","","has coordinates","263671","2021-04-05","14:16:06",""
"1560117","13.348","0.003","13.855","0.003","17.166","0.004","90","","112.468","0.004","90","","2933.6","1.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H36 Cl10 N4 Ti2 -","- C14 H36 Cl10 N4 Ti2 -","- C56 H144 Cl40 N16 Ti8 -","4","1","","Kurogi, Takashi; Kuroki, Kaito; Moritani, Shunsuke; Takai, Kazuhiko","Structural elucidation of a methylenation reagent of esters: synthesis and reactivity of a dinuclear titanium(iii) methylene complex","Chemical Science","2021","12","10","3509","3515","10.1039/D0SC06366E","","","0.71075","MoKα","","0.0622","0.0562","","","0.1053","0.1084","","","","","","1.158","","","","has coordinates,has disorder","263671","2021-04-05","14:16:07",""
"1560118","10.972","0.004","12.308","0.004","12.075","0.004","90","","101.587","0.006","90","","1597.4","0.9","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H24 Cl3 N2 O Ti -","- C10 H24 Cl3 N2 O Ti -","- C40 H96 Cl12 N8 O4 Ti4 -","4","1","","Kurogi, Takashi; Kuroki, Kaito; Moritani, Shunsuke; Takai, Kazuhiko","Structural elucidation of a methylenation reagent of esters: synthesis and reactivity of a dinuclear titanium(iii) methylene complex","Chemical Science","2021","12","10","3509","3515","10.1039/D0SC06366E","","","0.71075","MoKα","","0.0693","0.055","","","0.1347","0.1447","","","","","","1.083","","","","has coordinates,has disorder","263671","2021-04-05","14:16:07",""
"1560119","23.348","0.011","8.843","0.004","12.648","0.006","90","","121.198","0.006","90","","2233.7","1.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H34 Cl4 N4 Ti2 -","- C13 H34 Cl4 N4 Ti2 -","- C52 H136 Cl16 N16 Ti8 -","4","0.5","","Kurogi, Takashi; Kuroki, Kaito; Moritani, Shunsuke; Takai, Kazuhiko","Structural elucidation of a methylenation reagent of esters: synthesis and reactivity of a dinuclear titanium(iii) methylene complex","Chemical Science","2021","12","10","3509","3515","10.1039/D0SC06366E","","","0.71075","MoKα","","0.0851","0.0768","","","0.1988","0.2057","","","","","","1.055","","","","has coordinates","263671","2021-04-05","14:16:07",""
"1560120","23.149","0.011","7.256","0.003","15.032","0.007","90","","111.169","0.006","90","","2354.5","1.8","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C6 H16 Cl I N2 Zn -","- C6 H16 Cl I N2 Zn -","- C48 H128 Cl8 I8 N16 Zn8 -","8","1","","Kurogi, Takashi; Kuroki, Kaito; Moritani, Shunsuke; Takai, Kazuhiko","Structural elucidation of a methylenation reagent of esters: synthesis and reactivity of a dinuclear titanium(iii) methylene complex","Chemical Science","2021","12","10","3509","3515","10.1039/D0SC06366E","","","0.71075","MoKα","","0.0263","0.0227","","","0.0602","0.0613","","","","","","1.039","","","","has coordinates","263671","2021-04-05","14:16:07",""
"1560121","11.494","0.002","13.09","0.002","14.921","0.003","90","","90","","90","","2245","0.7","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H34 I2 N4 Zn2 -","- C13 H34 I2 N4 Zn2 -","- C52 H136 I8 N16 Zn8 -","4","1","","Kurogi, Takashi; Kuroki, Kaito; Moritani, Shunsuke; Takai, Kazuhiko","Structural elucidation of a methylenation reagent of esters: synthesis and reactivity of a dinuclear titanium(iii) methylene complex","Chemical Science","2021","12","10","3509","3515","10.1039/D0SC06366E","","","0.71075","MoKα","","0.0415","0.0315","","","0.0581","0.063","","","","","","1.008","","","","has coordinates","263671","2021-04-05","14:16:07",""
"1560122","18.5604","0.0011","7.5949","0.0004","8.0212","0.0005","90","","96.383","0.005","90","","1123.69","0.11","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","vinpocetine oxalate","","","- C24 H28 N2 O6 -","- C24 H28 N2 O6 -","- C48 H56 N4 O12 -","2","1","","Arhangelskis, Mihails; Bučar, Dejan-Krešimir; Bordignon, Simone; Chierotti, Michele R.; Stratford, Samuel A.; Voinovich, Dario; Jones, William; Hasa, Dritan","Mechanochemical reactivity inhibited, prohibited and reversed by liquid additives: examples from crystal-form screens","Chemical Science","2021","12","9","3264","3269","10.1039/D0SC05071G","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","0.037","3.078","","","","","","","has coordinates","263692","2021-04-05","14:20:47",""
"1560123","17.9007","0.0002","6.3022","0.0001","20.9554","0.0002","90","","105.356","0.001","90","","2279.66","0.05","150","0.1","150","0.1","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C24 H28 N2 O6 -","- C24 H28 N2 O6 -","- C96 H112 N8 O24 -","4","1","","Arhangelskis, Mihails; Bučar, Dejan-Krešimir; Bordignon, Simone; Chierotti, Michele R.; Stratford, Samuel A.; Voinovich, Dario; Jones, William; Hasa, Dritan","Mechanochemical reactivity inhibited, prohibited and reversed by liquid additives: examples from crystal-form screens","Chemical Science","2021","12","9","3264","3269","10.1039/D0SC05071G","","x-ray","1.54184","CuKα","","0.0277","0.0271","","","0.0738","0.0745","","","","","","1.036","","","","has coordinates,has disorder","263692","2021-04-05","14:20:48",""
"1560124","17.8855","0.0002","6.3218","0.0001","21.0313","0.0003","90","","105.346","0.001","90","","2293.19","0.06","110","0.1","110","0.1","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C24.63 H29.26 N2 O6.32 -","- C24.63 H29.259 N2 O6.315 -","- C98.52 H117.036 N8 O25.26 -","4","1","","Arhangelskis, Mihails; Bučar, Dejan-Krešimir; Bordignon, Simone; Chierotti, Michele R.; Stratford, Samuel A.; Voinovich, Dario; Jones, William; Hasa, Dritan","Mechanochemical reactivity inhibited, prohibited and reversed by liquid additives: examples from crystal-form screens","Chemical Science","2021","12","9","3264","3269","10.1039/D0SC05071G","","x-ray","1.54184","CuKα","","0.0342","0.0335","","","0.0874","0.0882","","","","","","1.04","","","","has coordinates,has disorder","263692","2021-04-05","14:20:48",""
"1560125","8.9924","0.0001","19.5139","0.0002","23.2425","0.0002","90","","90","","90","","4078.52","0.07","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H20 O4 -","- C24 H20 O4 -","- C192 H160 O32 -","8","2","","Yang, Chi; Wu, Tian-Rui; Li, Yan; Wu, Bing-Bing; Jin, Ruo-Xing; Hu, Duo-Duo; Li, Yuan-Bo; Bian, Kang-Jie; Wang, Xi-Sheng","Facile synthesis of axially chiral styrene-type carboxylic acids via palladium-catalyzed asymmetric C‒H activation","Chemical Science","2021","12","10","3726","3732","10.1039/D0SC06661C","","","1.54184","CuKα","","0.0754","0.067","","","0.1995","0.2077","","","","","","1.578","","","","has coordinates","263668","2021-04-05","14:13:47",""
"1560126","8.6935","0.0002","11.1218","0.0002","12.2142","0.0002","87.376","0.001","70.785","0.002","81.619","0.001","1103.26","0.04","293","2","293","2","","","","","","","","3","P 1","P 1","1","","","","- C25 H18 O2 -","- C25 H18 O2 -","- C50 H36 O4 -","2","2","","Yang, Chi; Wu, Tian-Rui; Li, Yan; Wu, Bing-Bing; Jin, Ruo-Xing; Hu, Duo-Duo; Li, Yuan-Bo; Bian, Kang-Jie; Wang, Xi-Sheng","Facile synthesis of axially chiral styrene-type carboxylic acids via palladium-catalyzed asymmetric C‒H activation","Chemical Science","2021","12","10","3726","3732","10.1039/D0SC06661C","","","1.54184","CuKα","","0.0607","0.0603","","","0.1552","0.1562","","","","","","1.079","","","","has coordinates","263668","2021-04-05","14:13:48",""
"1560133","10.077","0.004","5.678","0.003","13.478","0.006","90","","96.922","0.017","90","","765.6","0.6","170","2","170","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H16 Br N -","- C19 H16 Br N -","- C38 H32 Br2 N2 -","2","1","","Jiang, Feng; Fu, Chunling; Ma, Shengming","Asymmetric construction of pyrido[1,2-<i>a</i>]-1<i>H</i>-indole derivatives <i>via</i> a gold-catalyzed cycloisomerization.","Chemical science","2020","12","2","696","701","10.1039/d0sc05619g","","","0.71073","MoKα","","0.0358","0.0299","","","0.0724","0.0749","","","","","","1.042","","","","has coordinates","267079","2021-07-05","16:52:27",""
"1560134","10.4093","0.0008","6.0139","0.0004","12.2223","0.001","90","","100.849","0.003","90","","751.45","0.1","170","2","170","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H20 Cl N O -","- C17 H20 Cl N O -","- C34 H40 Cl2 N2 O2 -","2","1","","Jiang, Feng; Fu, Chunling; Ma, Shengming","Asymmetric construction of pyrido[1,2-<i>a</i>]-1<i>H</i>-indole derivatives <i>via</i> a gold-catalyzed cycloisomerization.","Chemical science","2020","12","2","696","701","10.1039/d0sc05619g","","","0.71073","MoKα","","0.0272","0.0261","","","0.0635","0.0644","","","","","","1.053","","","","has coordinates","267079","2021-07-05","16:52:27",""
"1560135","22.99","0.005","45.82","0.009","40.8","0.008","90","","90.92","0.03","90","","42973","15","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","tetrasucc","","- C167 H154 Cl3 F4 N34 O30 -","- C167 H153.5 Cl3 F4 N34 O30 -","- C1336 H1228 Cl24 F32 N272 O240 -","8","2","","Mateus, Pedro; Jacquet, Antoine; Méndez-Ardoy, Alejandro; Boulloy, Alice; Kauffmann, Brice; Pecastaings, Gilles; Buffeteau, Thierry; Ferrand, Yann; Bassani, Dario M.; Huc, Ivan","Sensing a binding event through charge transport variations using an aromatic oligoamide capsule","Chemical Science","2021","12","10","3743","3750","10.1039/D0SC06060G","","","0.7227","synchrotron","","0.1869","0.1398","","","0.3874","0.4165","","","","","","1.524","","","","has coordinates","274567","2022-04-19","14:22:37",""
"1560136","11.2876","0.0006","21.068","0.0011","9.751","0.0005","90","","106.139","0.003","90","","2227.5","0.2","223","2","223.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H23 N3 O5 -","- C25 H23 N3 O5 -","- C100 H92 N12 O20 -","4","1","","Park, Hyunchang; Lee, Dongwhan","Biomimetic hydrogen-bonding cascade for chemical activation: telling a nucleophile from a base.","Chemical science","2020","12","2","590","598","10.1039/d0sc05067a","","","1.54178","CuKα","","0.0813","0.0508","","","0.099","0.1146","","","","","","1.026","","","","has coordinates","267078","2021-07-05","16:52:21",""
"1560137","25.8801","0.0005","6.9453","0.0001","23.8077","0.0004","90","","116.121","0.002","90","","3842.25","0.13","93","","93","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 Br Cl3 N2 O4 -","- C17 H14 Br Cl3 N2 O4 -","- C136 H112 Br8 Cl24 N16 O32 -","8","2","","Park, Hyunchang; Lee, Dongwhan","Biomimetic hydrogen-bonding cascade for chemical activation: telling a nucleophile from a base.","Chemical science","2020","12","2","590","598","10.1039/d0sc05067a","","x-ray","1.54184","CuKα","","0.0755","0.074","","","0.2007","0.2013","","","","","","1.11","","","","has coordinates","276143","2022-06-22","06:24:16",""
"1560138","17.4514","0.0004","4.6477","0.0001","35.608","0.0008","90","","102.334","0.002","90","","2821.46","0.11","93","","93","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C16 H14 N2 O4 -","- C16 H14 N2 O4 -","- C128 H112 N16 O32 -","8","1","","Park, Hyunchang; Lee, Dongwhan","Biomimetic hydrogen-bonding cascade for chemical activation: telling a nucleophile from a base.","Chemical science","2020","12","2","590","598","10.1039/d0sc05067a","","x-ray","1.54184","CuKα","","0.0922","0.083","","","0.2263","0.2396","","","","","","1.078","","","","has coordinates","277994","2022-09-20","08:32:41",""
"1560139","8.2116","0.0004","14.8475","0.0007","20.2921","0.0009","90","","96.28","0.004","90","","2459.2","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H43 N O3 -","- C27 H43 N O3 -","- C108 H172 N4 O12 -","4","1","","Freeman, Lucas A.; Obi, Akachukwu D.; Machost, Haleigh R.; Molino, Andrew; Nichols, Asa W.; Dickie, Diane A.; Wilson, David J. D.; Machan, Charles W.; Gilliard, Robert J.","Soluble, crystalline, and thermally stable alkali CO2− and carbonite (CO22−) clusters supported by cyclic(alkyl)(amino) carbenes","Chemical Science","2021","12","10","3544","3550","10.1039/D0SC06851A","","","1.54178","CuKα","","0.1077","0.0932","","","0.2507","0.2764","","","","","","1.048","","","","has coordinates","263666","2021-04-05","14:13:08",""
"1560140","32.4579","0.0006","32.4579","0.0006","32.4579","0.0006","90","","90","","90","","34194.9","1.1","100","2","100","2","","","","","","","","5","I -4 3 d","I -4bd 2c 3","220","","","","- C116 H190.67 K4 N4 O12 -","- C115.999 H190.665 K4 N4 O12 -","- C1391.99 H2287.98 K48 N48 O144 -","12","0.25","","Freeman, Lucas A.; Obi, Akachukwu D.; Machost, Haleigh R.; Molino, Andrew; Nichols, Asa W.; Dickie, Diane A.; Wilson, David J. D.; Machan, Charles W.; Gilliard, Robert J.","Soluble, crystalline, and thermally stable alkali CO2− and carbonite (CO22−) clusters supported by cyclic(alkyl)(amino) carbenes","Chemical Science","2021","12","10","3544","3550","10.1039/D0SC06851A","","","1.54178","CuKα","","0.0731","0.0603","","","0.1538","0.1655","","","","","","1.06","","","","has coordinates,has disorder","263666","2021-04-05","14:13:08",""
"1560141","16.8366","0.0018","13.6239","0.0015","24.398","0.003","90","","91.454","0.002","90","","5594.6","1.1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C58 H94 Li2 N2 O7 -","- C58 H94 Li2 N2 O7 -","- C232 H376 Li8 N8 O28 -","4","0.5","","Freeman, Lucas A.; Obi, Akachukwu D.; Machost, Haleigh R.; Molino, Andrew; Nichols, Asa W.; Dickie, Diane A.; Wilson, David J. D.; Machan, Charles W.; Gilliard, Robert J.","Soluble, crystalline, and thermally stable alkali CO2− and carbonite (CO22−) clusters supported by cyclic(alkyl)(amino) carbenes","Chemical Science","2021","12","10","3544","3550","10.1039/D0SC06851A","","","0.71073","MoKα","","0.054","0.0422","","","0.1045","0.1131","","","","","","1.032","","","","has coordinates","263666","2021-04-05","14:13:08",""
"1560142","16.206","0.0005","29.7416","0.0009","30.0188","0.0008","90","","102.473","0.002","90","","14127.3","0.7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C144 H224 N6 Na12 O12 -","- C144 H224 N6 Na12 O12 -","- C576 H896 N24 Na48 O48 -","4","1","","Freeman, Lucas A.; Obi, Akachukwu D.; Machost, Haleigh R.; Molino, Andrew; Nichols, Asa W.; Dickie, Diane A.; Wilson, David J. D.; Machan, Charles W.; Gilliard, Robert J.","Soluble, crystalline, and thermally stable alkali CO2− and carbonite (CO22−) clusters supported by cyclic(alkyl)(amino) carbenes","Chemical Science","2021","12","10","3544","3550","10.1039/D0SC06851A","","","1.54178","CuKα","","0.1231","0.0704","","","0.1646","0.1959","","","","","","1.021","","","","has coordinates","263666","2021-04-05","14:13:08",""
"1560143","32.0084","0.0005","32.0084","0.0005","32.0084","0.0005","90","","90","","90","","32793.8","0.9","100","2","100","2","","","","","","","","5","I -4 3 d","I -4bd 2c 3","220","","","","- C108 H172 N4 Na4 O12 -","- C108 H172 N4 Na4 O12 -","- C1296 H2064 N48 Na48 O144 -","12","0.25","","Freeman, Lucas A.; Obi, Akachukwu D.; Machost, Haleigh R.; Molino, Andrew; Nichols, Asa W.; Dickie, Diane A.; Wilson, David J. D.; Machan, Charles W.; Gilliard, Robert J.","Soluble, crystalline, and thermally stable alkali CO2− and carbonite (CO22−) clusters supported by cyclic(alkyl)(amino) carbenes","Chemical Science","2021","12","10","3544","3550","10.1039/D0SC06851A","","","1.54178","CuKα","","0.0367","0.0326","","","0.0727","0.0739","","","","","","0.973","","","","has coordinates","263666","2021-04-05","14:13:08",""
"1560144","25.5103","0.0018","27.8549","0.0017","16.3237","0.0011","90","","90.336","0.005","90","","11599.2","1.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Gilliard_LAF48","","","- C115 H175 K10 N5 O10 -","- C115 H175 K10 N5 O10 -","- C460 H700 K40 N20 O40 -","4","1","","Freeman, Lucas A.; Obi, Akachukwu D.; Machost, Haleigh R.; Molino, Andrew; Nichols, Asa W.; Dickie, Diane A.; Wilson, David J. D.; Machan, Charles W.; Gilliard, Robert J.","Soluble, crystalline, and thermally stable alkali CO2− and carbonite (CO22−) clusters supported by cyclic(alkyl)(amino) carbenes","Chemical Science","2021","12","10","3544","3550","10.1039/D0SC06851A","","","1.54178","CuKα","","0.1227","0.0981","","","0.2611","0.2963","","","","","","1.075","","","","has coordinates","263666","2021-04-05","14:13:08",""
"1560145","14.2409","0.0017","14.1749","0.0017","20.804","0.002","90","","104.449","0.004","90","","4066.7","0.8","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C77 H121 Li6 N3 O8 -","- C77 H121 Li6 N3 O8 -","- C154 H242 Li12 N6 O16 -","2","1","","Freeman, Lucas A.; Obi, Akachukwu D.; Machost, Haleigh R.; Molino, Andrew; Nichols, Asa W.; Dickie, Diane A.; Wilson, David J. D.; Machan, Charles W.; Gilliard, Robert J.","Soluble, crystalline, and thermally stable alkali CO2− and carbonite (CO22−) clusters supported by cyclic(alkyl)(amino) carbenes","Chemical Science","2021","12","10","3544","3550","10.1039/D0SC06851A","","","0.71073","MoKα","","0.1305","0.0713","","","0.1594","0.1863","","","","","","1.019","","","","has coordinates,has disorder","263666","2021-04-05","14:13:08",""
"1560146","15.9758","0.0015","16.9105","0.0015","29.646","0.003","84.635","0.006","79.342","0.006","87.435","0.006","7833.4","1.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C138 H210 Li12 N6 O12 -","- C138 H210 Li12 N6 O12 -","- C276 H420 Li24 N12 O24 -","2","1","","Freeman, Lucas A.; Obi, Akachukwu D.; Machost, Haleigh R.; Molino, Andrew; Nichols, Asa W.; Dickie, Diane A.; Wilson, David J. D.; Machan, Charles W.; Gilliard, Robert J.","Soluble, crystalline, and thermally stable alkali CO2− and carbonite (CO22−) clusters supported by cyclic(alkyl)(amino) carbenes","Chemical Science","2021","12","10","3544","3550","10.1039/D0SC06851A","","","1.54178","CuKα","","0.0792","0.057","","","0.1465","0.1613","","","","","","1.055","","","","has coordinates,has disorder","263666","2021-04-05","14:13:08",""
"1560147","8.5666","0.0007","14.3257","0.0007","9.2306","0.0008","90","","112.196","0.01","90","","1048.86","0.15","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","tetraethyl naphthalene-1,4,5,8-tetracarboxylate","","- C22 H24 O8 -","- C22 H24 O8 -","- C44 H48 O16 -","2","0.5","","Zhou, Jiawang; Stojanović, Ljiljana; Berezin, Andrey A.; Battisti, Tommaso; Gill, Abigail; Kariuki, Benson M.; Bonifazi, Davide; Crespo-Otero, Rachel; Wasielewski, Michael R.; Wu, Yi-Lin","Organic room-temperature phosphorescence from halogen-bonded organic frameworks: hidden electronic effects in rigidified chromophores.","Chemical science","2020","12","2","767","773","10.1039/d0sc04646a","","x-ray","0.71073","MoKα","","0.1009","0.0779","","","0.2365","0.2609","","","","","","1.061","","","","has coordinates","267080","2021-07-05","16:52:54",""
"1560148","9.5351","0.0005","12.0414","0.0006","12.8133","0.0008","72.585","0.005","69.31","0.005","89.363","0.004","1305.8","0.14","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","tetraethyl 2,3,6,7-tetrabromonaphthalene-1,4,5,8-tetracarboxylate","","- C22 H20 Br4 O8 -","- C22 H20 Br4 O8 -","- C44 H40 Br8 O16 -","2","1","","Zhou, Jiawang; Stojanović, Ljiljana; Berezin, Andrey A.; Battisti, Tommaso; Gill, Abigail; Kariuki, Benson M.; Bonifazi, Davide; Crespo-Otero, Rachel; Wasielewski, Michael R.; Wu, Yi-Lin","Organic room-temperature phosphorescence from halogen-bonded organic frameworks: hidden electronic effects in rigidified chromophores.","Chemical science","2020","12","2","767","773","10.1039/d0sc04646a","","x-ray","0.71073","MoKα","","0.0773","0.0426","","","0.0802","0.0937","","","","","","1.02","","","","has coordinates","267080","2021-07-05","16:52:57",""
"1560149","9.6364","0.0005","9.8092","0.0005","11.8602","0.0005","90","","90.442","0.004","90","","1121.06","0.09","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","tetraethyl 2-bromonaphthalene-1,4,5,8-tetracarboxylate","","- C22 H23 Br O8 -","- C22 H23 Br O8 -","- C44 H46 Br2 O16 -","2","1","","Zhou, Jiawang; Stojanović, Ljiljana; Berezin, Andrey A.; Battisti, Tommaso; Gill, Abigail; Kariuki, Benson M.; Bonifazi, Davide; Crespo-Otero, Rachel; Wasielewski, Michael R.; Wu, Yi-Lin","Organic room-temperature phosphorescence from halogen-bonded organic frameworks: hidden electronic effects in rigidified chromophores.","Chemical science","2020","12","2","767","773","10.1039/d0sc04646a","","x-ray","0.71073","MoKα","","0.0863","0.0677","","","0.1502","0.161","","","","","","1.046","","","","has coordinates,has disorder","267080","2021-07-05","16:53:06",""
"1560150","12.0771","0.0006","13.4199","0.0006","18.1881","0.0009","75.562","0.002","80.992","0.002","87.013","0.002","2819.2","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C65 H80 Cl N6 O6 -","- C65 H80 Cl N6 O6 -","- C130 H160 Cl2 N12 O12 -","2","1","","Martinez-Cuezva, Alberto; Pastor, Aurelia; Marin-Luna, Marta; Diaz-Marin, Carmen; Bautista, Delia; Alajarin, Mateo; Berna, Jose","Cyclization of interlocked fumaramides into β-lactams: experimental and computational mechanistic assessment of the key intercomponent proton transfer and the stereocontrolling active pocket.","Chemical science","2020","12","2","747","756","10.1039/d0sc05757f","","","1.54178","CuKα","","0.0575","0.0532","","","0.1369","0.1408","","","","","","1.032","","","","has coordinates,has disorder","267070","2021-07-05","16:50:55",""
"1560151","12.3021","0.0011","7.9076","0.0007","18.7346","0.0017","90","","97.095","0.003","90","","1808.5","0.3","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 N O2 S2 -","- C20 H20 N O2 S2 -","- C80 H80 N4 O8 S8 -","4","1","","Hu, Jiefeng; Yang, Xianyu; Shi, Shasha; Cheng, Bo; Luo, Xiaoling; Lan, Yu; Loh, Teck-Peng","Metal-free C(sp3)‒H functionalization of sulfonamides via strain-release rearrangement","Chemical Science","2021","12","11","4034","4040","10.1039/D0SC06603F","","","0.71073","MoKα","","0.0759","0.0538","","","0.1209","0.1322","","","","","","1.054","","","","has coordinates","263706","2021-04-05","14:28:01",""
"1560152","11.2754","0.0003","11.2786","0.0002","19.1955","0.0004","81.762","0.002","83.501","0.002","76.134","0.002","2337.6","0.09","93","2","93","2","","","","","","","","7","P -1","-P 1","2","","[N-(4-methylbenzyl)ammoniumethylferrocene hexafluorophosphate][dibenzo[30]crown-10 ether]","","- C47 H62 F6 Fe N O10 P -","- C47 H62 F6 Fe N O10 P -","- C94 H124 F12 Fe2 N2 O20 P2 -","2","1","","Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki","Ring rotation of ferrocene in interlocked molecules in single crystals","Chemical Science","2021","12","11","3871","3875","10.1039/D0SC06876D","","","1.54184","CuKα","","0.034","0.0323","","","0.0829","0.0837","","","","","","1.076","","","","has coordinates","263699","2021-04-05","14:25:32",""
"1560153","11.3327","0.0002","11.4193","0.0002","19.3877","0.0004","82.951","0.002","80.729","0.002","77.436","0.002","2406.89","0.08","273","2","273","2","","","","","","","","7","P -1","-P 1","2","","[N-(4-methylbenzyl)ammoniumethylferrocene hexafluorophosphate][dibenzo[30]crown-10 ether]","","- C47 H62 F6 Fe N O10 P -","- C47 H62 F6 Fe N O10 P -","- C94 H124 F12 Fe2 N2 O20 P2 -","2","1","","Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki","Ring rotation of ferrocene in interlocked molecules in single crystals","Chemical Science","2021","12","11","3871","3875","10.1039/D0SC06876D","","x-ray","1.54184","CuKα","","0.065","0.0597","","","0.1635","0.1678","","","","","","1.066","","","","has coordinates,has disorder","263699","2021-04-05","14:25:32",""
"1560154","11.2781","0.0002","11.2893","0.0002","19.213","0.0003","83.432","0.001","81.586","0.001","76.335","0.001","2343.29","0.07","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","[N-(4-methylbenzyl)ammoniumethylferrocene hexafluorophosphate][dibenzo[30]crown-10 ether]","","- C47 H62 F6 Fe N O10 P -","- C47 H62 F6 Fe N O10 P -","- C94 H124 F12 Fe2 N2 O20 P2 -","2","1","","Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki","Ring rotation of ferrocene in interlocked molecules in single crystals","Chemical Science","2021","12","11","3871","3875","10.1039/D0SC06876D","","x-ray","1.54184","CuKα","","0.0328","0.031","","","0.0858","0.0872","","","","","","0.871","","","","has coordinates","263699","2021-04-05","14:25:32",""
"1560155","11.2958","0.0003","11.3414","0.0003","19.2872","0.0005","83.238","0.002","81.374","0.002","76.703","0.002","2368.53","0.11","183","2","183","2","","","","","","","","7","P -1","-P 1","2","","[N-(4-methylbenzyl)ammoniumethylferrocene hexafluorophosphate][dibenzo[30]crown-10 ether]","","- C47 H62 F6 Fe N O10 P -","- C47 H62 F6 Fe N O10 P -","- C94 H124 F12 Fe2 N2 O20 P2 -","2","1","","Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki","Ring rotation of ferrocene in interlocked molecules in single crystals","Chemical Science","2021","12","11","3871","3875","10.1039/D0SC06876D","","","1.54184","CuKα","","0.0392","0.037","","","0.0977","0.099","","","","","","1.075","","","","has coordinates","263699","2021-04-05","14:25:32",""
"1560156","11.3259","0.0003","11.3917","0.0003","19.3628","0.0005","83.024","0.002","80.932","0.002","77.121","0.002","2395.24","0.11","243","2","243","2","","","","","","","","7","P -1","-P 1","2","","[N-(4-methylbenzyl)ammoniumethylferrocene hexafluorophosphate][dibenzo[30]crown-10 ether]","","- C47 H62 F6 Fe N O10 P -","- C47 H62 F6 Fe N O10 P -","- C94 H124 F12 Fe2 N2 O20 P2 -","2","1","","Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki","Ring rotation of ferrocene in interlocked molecules in single crystals","Chemical Science","2021","12","11","3871","3875","10.1039/D0SC06876D","","x-ray","1.54184","CuKα","","0.0476","0.0439","","","0.1161","0.1185","","","","","","1.058","","","","has coordinates","263699","2021-04-05","14:25:32",""
"1560157","10.2236","0.0007","25.2061","0.0018","13.5364","0.001","90","","110.914","0.002","90","","3258.5","0.4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","[ferrocenylmethyl(methy) ammonium hexafluorophosphate][dibenzo[18]crown-6 ether]","","- C32 H40 F6 Fe N O6 P -","- C32 H40 F6 Fe N O6 P -","- C128 H160 F24 Fe4 N4 O24 P4 -","4","1","","Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki","Ring rotation of ferrocene in interlocked molecules in single crystals","Chemical Science","2021","12","11","3871","3875","10.1039/D0SC06876D","","","0.71073","MoKα","","0.0916","0.0712","","","0.1775","0.193","","","","","","1.058","","","","has coordinates","263699","2021-04-05","14:25:32",""
"1560158","10.2753","0.0009","25.224","0.002","13.5486","0.0011","90","","111.171","0.002","90","","3274.6","0.5","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","[ferrocenylmethyl(methy) ammonium hexafluorophosphate][dibenzo[18]crown-6 ether]","","- C32 H40 F6 Fe N O6 P -","- C32 H40 F6 Fe N O6 P -","- C128 H160 F24 Fe4 N4 O24 P4 -","4","1","","Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki","Ring rotation of ferrocene in interlocked molecules in single crystals","Chemical Science","2021","12","11","3871","3875","10.1039/D0SC06876D","","","0.71073","MoKα","","0.0957","0.0767","","","0.1887","0.2102","","","","","","1.022","","","","has coordinates,has disorder","263699","2021-04-05","14:25:32",""
"1560159","10.3328","0.0007","25.4063","0.0017","13.6255","0.0009","90","","111.122","0.0014","90","","3336.6","0.4","250","2","250","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","[ferrocenylmethyl(methy) ammonium hexafluorophosphate][dibenzo[18]crown-6 ether]","","- C32 H40 F6 Fe N O6 P -","- C32 H40 F6 Fe N O6 P -","- C128 H160 F24 Fe4 N4 O24 P4 -","4","1","","Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki","Ring rotation of ferrocene in interlocked molecules in single crystals","Chemical Science","2021","12","11","3871","3875","10.1039/D0SC06876D","","","0.71073","MoKα","","0.1027","0.0668","","","0.1847","0.2085","","","","","","1.067","","","","has coordinates","263699","2021-04-05","14:25:32",""
"1560160","10.361","0.004","25.435","0.01","13.645","0.006","90","","111.064","0.008","90","","3356","2","320","2","320","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","[ferrocenylmethyl(methy) ammonium hexafluorophosphate][dibenzo[18]crown-6 ether]","","- C32 H40 F6 Fe N O6 P -","- C32 H40 F6 Fe N O6 P -","- C128 H160 F24 Fe4 N4 O24 P4 -","4","1","","Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki","Ring rotation of ferrocene in interlocked molecules in single crystals","Chemical Science","2021","12","11","3871","3875","10.1039/D0SC06876D","","","0.71073","MoKα","","0.154","0.0804","","","0.2338","0.3065","","","","","","0.977","","","","has coordinates","263699","2021-04-05","14:25:32",""
"1560161","10.28","0.0006","25.269","0.0016","13.5675","0.0008","90","","111.092","0.0013","90","","3288.2","0.3","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","[ferrocenylmethyl(methy) ammonium hexafluorophosphate][dibenzo[18]crown-6 ether]","","- C32 H40 F6 Fe N O6 P -","- C32 H40 F6 Fe N O6 P -","- C128 H160 F24 Fe4 N4 O24 P4 -","4","1","","Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki","Ring rotation of ferrocene in interlocked molecules in single crystals","Chemical Science","2021","12","11","3871","3875","10.1039/D0SC06876D","","","0.71073","MoKα","","0.0847","0.0607","","","0.1576","0.1737","","","","","","1.063","","","","has coordinates","263699","2021-04-05","14:25:32",""
"1560162","11.2892","0.0002","11.3208","0.0003","19.2519","0.0004","83.33","0.002","81.46","0.002","76.478","0.002","2357.22","0.09","153","2","153","2","","","","","","","","7","P -1","-P 1","2","","[N-(4-methylbenzyl)ammoniumethylferrocene hexafluorophosphate][dibenzo[30]crown-10 ether]","","- C47 H62 F6 Fe N O10 P -","- C47 H62 F6 Fe N O10 P -","- C94 H124 F12 Fe2 N2 O20 P2 -","2","1","","Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki","Ring rotation of ferrocene in interlocked molecules in single crystals","Chemical Science","2021","12","11","3871","3875","10.1039/D0SC06876D","","x-ray","1.54184","CuKα","","0.0376","0.0354","","","0.097","0.0988","","","","","","0.8828","","","","has coordinates","263699","2021-04-05","14:25:32",""
"1560163","11.3088","0.0003","11.3689","0.0003","19.3307","0.0004","83.1","0.002","81.166","0.002","76.913","0.002","2382.63","0.1","213","2","213","","","","","","","","","7","P -1","-P 1","2","","[N-(4-methylbenzyl)ammoniumethylferrocene hexafluorophosphate][dibenzo[30]crown-10 ether]","","- C47 H62 F6 Fe N O10 P -","- C47 H62 F6 Fe N O10 P -","- C94 H124 F12 Fe2 N2 O20 P2 -","2","1","","Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki","Ring rotation of ferrocene in interlocked molecules in single crystals","Chemical Science","2021","12","11","3871","3875","10.1039/D0SC06876D","","","1.54184","CuKα","","0.0444","0.0408","","","0.1048","0.107","","","","","","1.0297","","","","has coordinates","263699","2021-04-05","14:25:32",""
"1560164","9.844","0.0003","11.6767","0.0003","16.7383","0.0005","94.74","0.002","95.623","0.002","104.722","0.002","1840.28","0.09","333","2","333","2","","","","","","","","8","P -1","-P 1","2","","[ferrocenylmethyl(methy) ammonium hexafluorophosphate][dibenzo[18]crown-6 ether]","","- C33 H42 Cl2 F6 Fe N O6 P -","- C33 H42 Cl2 F6 Fe N O6 P -","- C66 H84 Cl4 F12 Fe2 N2 O12 P2 -","2","1","","Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki","Ring rotation of ferrocene in interlocked molecules in single crystals","Chemical Science","2021","12","11","3871","3875","10.1039/D0SC06876D","","","1.54184","CuKα","","0.081","0.0706","","","0.212","0.2246","","","","","","0.9914","","","","has coordinates","263699","2021-04-05","14:25:32",""
"1560165","11.3611","0.0002","11.5447","0.0003","19.4228","0.0005","82.91","0.002","80.543","0.002","77.861","0.002","2446.24","0.1","333","2","333","2","","","","","","","","7","P -1","-P 1","2","","[N-(4-methylbenzyl)ammoniumethylferrocene hexafluorophosphate][dibenzo[30]crown-10 ether]","","- C47 H62 F6 Fe N O10 P -","- C47 H62 F6 Fe N O10 P -","- C94 H124 F12 Fe2 N2 O20 P2 -","2","1","","Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki","Ring rotation of ferrocene in interlocked molecules in single crystals","Chemical Science","2021","12","11","3871","3875","10.1039/D0SC06876D","","x-ray","1.54184","CuKα","","0.0761","0.0658","","","0.1955","0.2053","","","","","","1.0375","","","","has coordinates","263699","2021-04-05","14:25:32",""
"1560166","9.8233","0.0003","11.6256","0.0003","16.7174","0.0005","94.917","0.002","95.464","0.002","104.784","0.003","1825.52","0.1","303","2","303","2","","","","","","","","8","P -1","-P 1","2","","[ferrocenylmethyl(methy) ammonium hexafluorophosphate][dibenzo[18]crown-6 ether]","","- C33 H42 Cl2 F6 Fe N O6 P -","- C33 H42 Cl2 F6 Fe N O6 P -","- C66 H84 Cl4 F12 Fe2 N2 O12 P2 -","2","1","","Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki","Ring rotation of ferrocene in interlocked molecules in single crystals","Chemical Science","2021","12","11","3871","3875","10.1039/D0SC06876D","","x-ray","1.54184","CuKα","","0.0618","0.0546","","","0.1536","0.1587","","","","","","1.085","","","","has coordinates","263699","2021-04-05","14:25:32",""
"1560167","11.3456","0.0003","11.4668","0.0003","19.414","0.0005","82.907","0.002","80.58","0.002","77.69","0.002","2424.07","0.11","303","2","303","2","","","","","","","","7","P -1","-P 1","2","","[N-(4-methylbenzyl)ammoniumethylferrocene hexafluorophosphate][dibenzo[30]crown-10 ether]","","- C47 H62 F6 Fe N O10 P -","- C47 H62 F6 Fe N O10 P -","- C94 H124 F12 Fe2 N2 O20 P2 -","2","1","","Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki","Ring rotation of ferrocene in interlocked molecules in single crystals","Chemical Science","2021","12","11","3871","3875","10.1039/D0SC06876D","","x-ray","1.54184","CuKα","","0.0647","0.0572","","","0.1665","0.1736","","","","","","1.0292","","","","has coordinates","263699","2021-04-05","14:25:32",""
"1560168","9.7522","0.0002","11.4459","0.0002","16.6761","0.0003","95.5","0.002","95.052","0.002","104.805","0.002","1779.06","0.06","183","2","183","2","","","","","","","","8","P -1","-P 1","2","","[ferrocenylmethyl(methy) ammonium hexafluorophosphate][dibenzo[18]crown-6 ether]","","- C33 H42 Cl2 F6 Fe N O6 P -","- C33 H42 Cl2 F6 Fe N O6 P -","- C66 H84 Cl4 F12 Fe2 N2 O12 P2 -","2","1","","Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki","Ring rotation of ferrocene in interlocked molecules in single crystals","Chemical Science","2021","12","11","3871","3875","10.1039/D0SC06876D","","","1.54184","CuKα","","0.0655","0.0617","","","0.1707","0.1755","","","","","","1.0058","","","","has coordinates","263699","2021-04-05","14:25:32",""
"1560169","10.3108","0.0006","25.3315","0.0017","13.5949","0.0009","90","","111.123","0.0013","90","","3312.2","0.4","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","[ferrocenylmethyl(methy) ammonium hexafluorophosphate][dibenzo[18]crown-6 ether]","","- C32 H40 F6 Fe N O6 P -","- C32 H40 F6 Fe N O6 P -","- C128 H160 F24 Fe4 N4 O24 P4 -","4","1","","Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki","Ring rotation of ferrocene in interlocked molecules in single crystals","Chemical Science","2021","12","11","3871","3875","10.1039/D0SC06876D","","","0.71073","MoKα","","0.0929","0.064","","","0.17","0.1905","","","","","","1.052","","","","has coordinates","263699","2021-04-05","14:25:32",""
"1560170","9.7269","0.0003","11.4193","0.0003","16.6601","0.0004","95.565","0.002","95.014","0.002","104.744","0.002","1769.03","0.09","153","2","153","2","","","","","","","","8","P -1","-P 1","2","","[ferrocenylmethyl(methy) ammonium hexafluorophosphate][dibenzo[18]crown-6 ether]","","- C33 H42 Cl2 F6 Fe N O6 P -","- C33 H42 Cl2 F6 Fe N O6 P -","- C66 H84 Cl4 F12 Fe2 N2 O12 P2 -","2","1","","Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki","Ring rotation of ferrocene in interlocked molecules in single crystals","Chemical Science","2021","12","11","3871","3875","10.1039/D0SC06876D","","","1.54184","CuKα","","0.0541","0.0511","","","0.1435","0.1469","","","","","","1.0445","","","","has coordinates","263699","2021-04-05","14:25:32",""
"1560171","10.3821","0.0019","25.543","0.005","13.668","0.003","90","","111.172","0.004","90","","3380","1.2","340","2","340","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","[ferrocenylmethyl(methy) ammonium hexafluorophosphate][dibenzo[18]crown-6 ether]","","- C32 H40 F6 Fe N O6 P -","- C32 H40 F6 Fe N O6 P -","- C128 H160 F24 Fe4 N4 O24 P4 -","4","1","","Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki","Ring rotation of ferrocene in interlocked molecules in single crystals","Chemical Science","2021","12","11","3871","3875","10.1039/D0SC06876D","","","0.71073","MoKα","","0.1655","0.0866","","","0.241","0.3215","","","","","","1.009","","","","has coordinates","263699","2021-04-05","14:25:32",""
"1560172","9.8091","0.0003","11.5747","0.0004","16.7136","0.0005","95.109","0.002","95.249","0.002","104.806","0.003","1814.42","0.1","273","2","273","2","","","","","","","","8","P -1","-P 1","2","","[ferrocenylmethyl(methy) ammonium hexafluorophosphate][dibenzo[18]crown-6 ether]","","- C33 H42 Cl2 F6 Fe N O6 P -","- C33 H42 Cl2 F6 Fe N O6 P -","- C66 H84 Cl4 F12 Fe2 N2 O12 P2 -","2","1","","Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki","Ring rotation of ferrocene in interlocked molecules in single crystals","Chemical Science","2021","12","11","3871","3875","10.1039/D0SC06876D","","","1.54184","CuKα","","0.0599","0.0544","","","0.149","0.1535","","","","","","1.0059","","","","has coordinates","263699","2021-04-05","14:25:32",""
"1560173","10.354","0.003","25.443","0.007","13.638","0.004","90","","111.061","0.005","90","","3352.7","1.7","300","2","300","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","[ferrocenylmethyl(methy) ammonium hexafluorophosphate][dibenzo[18]crown-6 ether]","","- C32 H40 F6 Fe N O6 P -","- C32 H40 F6 Fe N O6 P -","- C128 H160 F24 Fe4 N4 O24 P4 -","4","1","","Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki","Ring rotation of ferrocene in interlocked molecules in single crystals","Chemical Science","2021","12","11","3871","3875","10.1039/D0SC06876D","","","0.71073","MoKα","","0.1167","0.0712","","","0.2018","0.2328","","","","","","1.071","","","","has coordinates","263699","2021-04-05","14:25:32",""
"1560174","9.8649","0.0003","11.7188","0.0004","16.7606","0.0006","94.613","0.003","95.802","0.003","104.684","0.003","1853.36","0.11","358","2","358","","","","","","","","","8","P -1","-P 1","2","","[ferrocenylmethyl(methy) ammonium hexafluorophosphate][dibenzo[18]crown-6 ether]","","- C33 H42 Cl2 F6 Fe N O6 P -","- C33 H42 Cl2 F6 Fe N O6 P -","- C66 H84 Cl4 F12 Fe2 N2 O12 P2 -","2","1","","Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki","Ring rotation of ferrocene in interlocked molecules in single crystals","Chemical Science","2021","12","11","3871","3875","10.1039/D0SC06876D","","","1.54184","CuKα","","0.0993","0.0834","","","0.2456","0.2648","","","","","","1.0035","","","","has coordinates","263699","2021-04-05","14:25:32",""
"1560175","9.691","0.0003","11.3787","0.0003","16.6251","0.0004","95.673","0.002","94.963","0.002","104.636","0.002","1753.22","0.09","93","2","93","","","","","","","","","8","P -1","-P 1","2","","[ferrocenylmethyl(methy) ammonium hexafluorophosphate][dibenzo[18]crown-6 ether]","","- C33 H42 Cl2 F6 Fe N O6 P -","- C33 H42 Cl2 F6 Fe N O6 P -","- C66 H84 Cl4 F12 Fe2 N2 O12 P2 -","2","1","","Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki","Ring rotation of ferrocene in interlocked molecules in single crystals","Chemical Science","2021","12","11","3871","3875","10.1039/D0SC06876D","","x-ray","1.54184","CuKα","","0.0619","0.0596","","","0.1677","0.1709","","","","","","1.041","","","","has coordinates","263699","2021-04-05","14:25:32",""
"1560176","11.3733","0.0002","11.6068","0.0003","19.427","0.0005","83.003","0.002","80.579","0.002","77.986","0.002","2464.26","0.1","363","2","363","2","","","","","","","","7","P -1","-P 1","2","","[N-(4-methylbenzyl)ammoniumethylferrocene hexafluorophosphate][dibenzo[30]crown-10 ether]","","- C47 H62 F6 Fe N O10 P -","- C47 H62 F6 Fe N O10 P -","- C94 H124 F12 Fe2 N2 O20 P2 -","2","1","","Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki","Ring rotation of ferrocene in interlocked molecules in single crystals","Chemical Science","2021","12","11","3871","3875","10.1039/D0SC06876D","","x-ray","1.54184","CuKα","","0.0862","0.0727","","","0.2161","0.2296","","","","","","1.0302","","","","has coordinates","263699","2021-04-05","14:25:32",""
"1560177","9.7922","0.0002","11.5185","0.0003","16.7041","0.0004","95.266","0.002","95.19","0.002","104.874","0.002","1800.49","0.08","243","2","243","2","","","","","","","","8","P -1","-P 1","2","","[ferrocenylmethyl(methy) ammonium hexafluorophosphate][dibenzo[18]crown-6 ether]","","- C33 H42 Cl2 F6 Fe N O6 P -","- C33 H42 Cl2 F6 Fe N O6 P -","- C66 H84 Cl4 F12 Fe2 N2 O12 P2 -","2","1","","Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki","Ring rotation of ferrocene in interlocked molecules in single crystals","Chemical Science","2021","12","11","3871","3875","10.1039/D0SC06876D","","","1.54184","CuKα","","0.0713","0.0661","","","0.184","0.1897","","","","","","1.0484","","","","has coordinates","263699","2021-04-05","14:25:32",""
"1560178","12.1094","0.0005","11.0077","0.0004","9.4271","0.0003","90","","103.617","0.004","90","","1221.28","0.08","150","2","150.01","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H42 Si2 -","- C26 H42 Si2 -","- C52 H84 Si4 -","2","0.5","","He, Tao; Wang, Guoqiang; Long, Peng-Wei; Kemper, Sebastian; Irran, Elisabeth; Klare, Hendrik F. T.; Oestreich, Martin","Intramolecular Friedel-Crafts alkylation with a silylium-ion-activated cyclopropyl group: formation of tricyclic ring systems from benzyl-substituted vinylcyclopropanes and hydrosilanes.","Chemical science","2020","12","2","569","575","10.1039/d0sc05553k","","x-ray","1.54184","CuKα","","0.0493","0.043","","","0.1145","0.1202","","","","","","1.053","","","","has coordinates,has disorder","267072","2021-07-05","16:51:23",""
"1560179","10.6538","0.0002","21.0744","0.0004","27.7419","0.0006","90","","90.186","0.0015","90","","6228.6","0.2","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C62 H26 Al F20 N6 -","- C62 H26 Al F20 N6 -","- C248 H104 Al4 F80 N24 -","4","1","","Arnold, Amela; Sherbow, Tobias J.; Bohanon, Amanda M.; Sayler, Richard I.; Britt, R. David; Smith, Allison M.; Fettinger, James C.; Berben, Louise A.","Delocalization tunable by ligand substitution in [L<sub>2</sub>Al] <sup><i>n</i>-</sup> complexes highlights a mechanism for strong electronic coupling.","Chemical science","2020","12","2","675","682","10.1039/d0sc02812f","","","1.54178","CuKα","","0.1137","0.0618","","","0.1447","0.1686","","","","","","0.99","","","","has coordinates","267077","2021-07-05","16:52:12",""
"1560180","13.3802","0.0009","15.1258","0.0009","17.4402","0.0015","90","","110.95","0.001","90","","3296.3","0.4","90","2","90","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C35 H21 Al Cl2 F10 N3 O -","- C35 H21 Al Cl2 F10 N3 O -","- C140 H84 Al4 Cl8 F40 N12 O4 -","4","1","","Arnold, Amela; Sherbow, Tobias J.; Bohanon, Amanda M.; Sayler, Richard I.; Britt, R. David; Smith, Allison M.; Fettinger, James C.; Berben, Louise A.","Delocalization tunable by ligand substitution in [L<sub>2</sub>Al] <sup><i>n</i>-</sup> complexes highlights a mechanism for strong electronic coupling.","Chemical science","2020","12","2","675","682","10.1039/d0sc02812f","","","0.71073","MoKα","","0.0422","0.0319","","","0.0728","0.0775","","","","","","1.019","","","","has coordinates","267077","2021-07-05","16:52:13",""
"1560181","9.8433","0.0003","10.2481","0.0003","20.401","0.0006","90","","103.193","0.0014","90","","2003.63","0.1","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C44 H39 Al Cl F10 N3 O2.5 -","- C44 H39 Al Cl F10 N3 O2.5 -","- C88 H78 Al2 Cl2 F20 N6 O5 -","2","1","","Arnold, Amela; Sherbow, Tobias J.; Bohanon, Amanda M.; Sayler, Richard I.; Britt, R. David; Smith, Allison M.; Fettinger, James C.; Berben, Louise A.","Delocalization tunable by ligand substitution in [L<sub>2</sub>Al] <sup><i>n</i>-</sup> complexes highlights a mechanism for strong electronic coupling.","Chemical science","2020","12","2","675","682","10.1039/d0sc02812f","","","1.54178","CuKα","","0.0403","0.0361","","","0.0894","0.0925","","","","","","1.052","","","","has coordinates,has disorder","267077","2021-07-05","16:52:13",""
"1560182","24.1574","0.0004","16.2905","0.0003","19.344","0.0003","90","","110.105","0.001","90","","7148.7","0.2","90","2","90","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C88 H84 Al N10 -","- C88 H84 Al N10 -","- C352 H336 Al4 N40 -","4","0.5","","Arnold, Amela; Sherbow, Tobias J.; Bohanon, Amanda M.; Sayler, Richard I.; Britt, R. David; Smith, Allison M.; Fettinger, James C.; Berben, Louise A.","Delocalization tunable by ligand substitution in [L<sub>2</sub>Al] <sup><i>n</i>-</sup> complexes highlights a mechanism for strong electronic coupling.","Chemical science","2020","12","2","675","682","10.1039/d0sc02812f","","","1.54178","CuKα","","0.0651","0.0526","","","0.1364","0.1456","","","","","","0.995","","","","has coordinates","267077","2021-07-05","16:52:13",""
"1560183","14.7754","0.0011","14.9336","0.0011","14.0276","0.0008","90","","90","","90","","3095.2","0.4","90","2","90","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C26 H28 Co Ho N10 O8 -","- C26 H28 Co Ho N10 O8 -","- C104 H112 Co4 Ho4 N40 O32 -","4","0.25","","Wang, Junhao; Zakrzewski, Jakub J.; Zychowicz, Mikolaj; Vieru, Veacheslav; Chibotaru, Liviu F.; Nakabayashi, Koji; Chorazy, Szymon; Ohkoshi, Shin-Ichi","Holmium(iii) molecular nanomagnets for optical thermometry exploring the luminescence re-absorption effect.","Chemical science","2020","12","2","730","741","10.1039/d0sc04871b","","x-ray","0.71075","MoKα","","0.0295","0.0288","","","0.0578","0.058","","","","","","1.217","","","","has coordinates,has disorder","267076","2021-07-05","16:52:01",""
"1560184","14.872","0.0003","15.2339","0.0003","14.1487","0.0003","90","","90","","90","","3205.51","0.11","100","2","100","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C26 H28 Ho Ir N10 O8 -","- C26 H28 Ho Ir N10 O8 -","- C104 H112 Ho4 Ir4 N40 O32 -","4","0.25","","Wang, Junhao; Zakrzewski, Jakub J.; Zychowicz, Mikolaj; Vieru, Veacheslav; Chibotaru, Liviu F.; Nakabayashi, Koji; Chorazy, Szymon; Ohkoshi, Shin-Ichi","Holmium(iii) molecular nanomagnets for optical thermometry exploring the luminescence re-absorption effect.","Chemical science","2020","12","2","730","741","10.1039/d0sc04871b","","x-ray","0.71073","MoKα","","0.0225","0.0187","","","0.0448","0.0462","","","","","","1.094","","","","has coordinates,has disorder","267076","2021-07-05","16:52:01",""
"1560185","14.8236","0.0006","15.1198","0.0008","14.066","0.0007","90","","90","","90","","3152.6","0.3","90","2","90","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C26 H28 Ho N10 O8 Rh -","- C26 H28 Ho N10 O8 Rh -","- C104 H112 Ho4 N40 O32 Rh4 -","4","0.25","","Wang, Junhao; Zakrzewski, Jakub J.; Zychowicz, Mikolaj; Vieru, Veacheslav; Chibotaru, Liviu F.; Nakabayashi, Koji; Chorazy, Szymon; Ohkoshi, Shin-Ichi","Holmium(iii) molecular nanomagnets for optical thermometry exploring the luminescence re-absorption effect.","Chemical science","2020","12","2","730","741","10.1039/d0sc04871b","","x-ray","0.71075","MoKα","","0.0682","0.0574","","","0.0935","0.0969","","","","","","1.175","","","","has coordinates,has disorder","267076","2021-07-05","16:52:01",""
"1560186","6.931","0.0014","7.59","0.0015","7.735","0.0015","60.94","0.03","82.44","0.03","75.12","0.03","343.75","0.16","100","","100","","","","","","","","synthesized","4","P -1","-P 1","2","","","","- C8 H8 N2 O2 -","- C8 H8 N2 O2 -","- C16 H16 N4 O4 -","2","1","","Nicks, Joshua; Boer, Stephanie A.; White, Nicholas G.; Foster, Jonathan A.","Monolayer nanosheets formed by liquid exfoliation of charge-assisted hydrogen-bonded frameworks","Chemical Science","2021","12","9","3322","3327","10.1039/D0SC06906J","","","0.7108","Synchrotron","","0.0985","0.0925","","0.3309","0.3279","0.3262","","","","","","1.056","","","","has coordinates","263696","2021-04-05","14:22:39",""
"1560187","7.0348","0.00002","7.8512","0.00002","7.8827","0.00002","61.268","0.005","74.309","0.004","82.32","0.005","367.54","0.019","293","","293","","","","","","","","synthesized","4","P -1","-P 1","2","","","","- C8 H8 N2 O2 -","- C8 H8 N2 O2 -","- C16 H16 N4 O4 -","2","1","","Nicks, Joshua; Boer, Stephanie A.; White, Nicholas G.; Foster, Jonathan A.","Monolayer nanosheets formed by liquid exfoliation of charge-assisted hydrogen-bonded frameworks","Chemical Science","2021","12","9","3322","3327","10.1039/D0SC06906J","","","1.54184","CuKα","","0.081","0.078","","0.2542","0.252","0.2194","","","","","","1.03","","","","has coordinates","263696","2021-04-05","14:22:39",""
"1560188","5.5557","0.0005","7.8957","0.0007","9.0549","0.0008","71.386","0.008","83.555","0.007","74.217","0.007","362.09","0.06","293","","293","","","","","","","","synthesized","4","P -1","-P 1","2","","","","- C8 H8 N2 O2 -","- C8 H8 N2 O2 -","- C16 H16 N4 O4 -","2","1","","Nicks, Joshua; Boer, Stephanie A.; White, Nicholas G.; Foster, Jonathan A.","Monolayer nanosheets formed by liquid exfoliation of charge-assisted hydrogen-bonded frameworks","Chemical Science","2021","12","9","3322","3327","10.1039/D0SC06906J","","","1.54184","CuKα","","0.0532","0.0456","","0.1382","0.1277","0.1382","","","","","","1.0049","","","","has coordinates","263696","2021-04-05","14:22:39",""
"1560189","6.0794","0.0006","23.851","0.002","6.5545","0.0006","90","","114.294","0.003","90","","866.24","0.14","119.98","","119.98","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H11 N O3 -","- C9 H11 N O3 -","- C36 H44 N4 O12 -","4","1","","Ma, Liang; Kou, Luyao; Jin, Feng; Cheng, Xionglve; Tao, Suyan; Jiang, Gangzhong; Bao, Xiaoguang; Wan, Xiaobing","Acyclic nitronate olefin cycloaddition (ANOC): regio- and stereospecific synthesis of isoxazolines.","Chemical science","2020","12","2","774","779","10.1039/d0sc05607c","","","0.71073","MoKα","","0.0515","0.0473","","","0.1141","0.1184","","","","","","1.062","","","","has coordinates","267081","2021-07-05","16:53:14",""
"1560190","10.2859","0.0006","10.6455","0.0006","7.6374","0.0005","90","","90","","90","","836.28","0.09","120.03","","120.03","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C9 H11 N O3 -","- C9 H11 N O3 -","- C36 H44 N4 O12 -","4","1","","Ma, Liang; Kou, Luyao; Jin, Feng; Cheng, Xionglve; Tao, Suyan; Jiang, Gangzhong; Bao, Xiaoguang; Wan, Xiaobing","Acyclic nitronate olefin cycloaddition (ANOC): regio- and stereospecific synthesis of isoxazolines.","Chemical science","2020","12","2","774","779","10.1039/d0sc05607c","","","0.71073","MoKα","","0.0614","0.0414","","","0.0856","0.0977","","","","","","1.046","","","","has coordinates","267081","2021-07-05","16:53:14",""
"1560191","12.4596","0.0007","7.5335","0.0005","10.8814","0.0007","90","","92.749","0.002","90","","1020.2","0.11","119.99","","119.99","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 N O3 -","- C12 H11 N O3 -","- C48 H44 N4 O12 -","4","1","","Ma, Liang; Kou, Luyao; Jin, Feng; Cheng, Xionglve; Tao, Suyan; Jiang, Gangzhong; Bao, Xiaoguang; Wan, Xiaobing","Acyclic nitronate olefin cycloaddition (ANOC): regio- and stereospecific synthesis of isoxazolines.","Chemical science","2020","12","2","774","779","10.1039/d0sc05607c","","","0.71073","MoKα","","0.0563","0.0409","","","0.1117","0.1264","","","","","","1.048","","","","has coordinates","267081","2021-07-05","16:53:14",""
"1560192","9.4978","0.0007","19.9607","0.0013","11.2962","0.0008","90","","91.786","0.002","90","","2140.5","0.3","120.04","","120.04","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 N O3 -","- C12 H11 N O3 -","- C96 H88 N8 O24 -","8","2","","Ma, Liang; Kou, Luyao; Jin, Feng; Cheng, Xionglve; Tao, Suyan; Jiang, Gangzhong; Bao, Xiaoguang; Wan, Xiaobing","Acyclic nitronate olefin cycloaddition (ANOC): regio- and stereospecific synthesis of isoxazolines.","Chemical science","2020","12","2","774","779","10.1039/d0sc05607c","","","0.71073","MoKα","","0.0835","0.0523","","","0.134","0.1609","","","","","","1.036","","","","has coordinates","275434","2022-05-16","05:31:58",""
"1560197","9.5983","0.0012","7.4141","0.0008","28.155","0.003","90","","97.017","0.004","90","","1988.6","0.4","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C33 H17 N -","- C33 H17 N -","- C132 H68 N4 -","4","1","","Ghosh, Animesh; Csókás, Dániel; Budanović, Maja; Webster, Richard D.; Pápai, Imre; Stuparu, Mihaiela C.","Synthesis of azahelicenes through Mallory reaction of imine precursors: corannulene substrates provide an exception to the rule in oxidative photocyclizations of diarylethenes","Chemical Science","2021","12","11","3977","3983","10.1039/D0SC06730J","","","0.71073","MoKα","","0.2157","0.079","","","0.1342","0.1857","","","","","","0.982","","","","has coordinates","263705","2021-04-05","14:27:48",""
"1560198","4.4453","0.0006","8.1098","0.001","12.7463","0.0018","90","","90","","90","","459.51","0.11","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- As B F H4 N O4 -","- As B F H4 N O4 -","- As4 B4 F4 H16 N4 O16 -","4","1","","Bai, Zhiyong; Liu, Lehui; Wang, Dongmei; Hu, Chun-Li; Lin, Zhoubin","To improve the key properties of nonlinear optical crystals assembled with tetrahedral functional building units","Chemical Science","2021","12","11","4014","4020","10.1039/D1SC00080B","","x-ray","1.3405","GaKα","","0.0667","0.0616","","","0.1548","0.1764","","","","","","1.154","","","","has coordinates","263704","2021-04-05","14:27:41",""
"1560199","10.6937","0.0004","10.7364","0.0004","25.1952","0.001","88.365","0.002","83.658","0.002","83.887","0.002","2858.25","0.19","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C65 H65 Cu F3 N4 O4 P3 S -","- C65 H65 Cu F3 N4 O4 P3 S -","- C130 H130 Cu2 F6 N8 O8 P6 S2 -","2","1","","Weberg, Alexander B.; McCollom, Samuel P.; Thierer, Laura M.; Gau, Michael R.; Carroll, Patrick J.; Tomson, Neil C.","Using internal electrostatic fields to manipulate the valence manifolds of copper complexes","Chemical Science","2021","12","12","4395","4404","10.1039/D0SC06364A","","","0.71073","MoKα","","0.0914","0.0651","","","0.1603","0.1746","","","","","","1.055","","","","has coordinates,has disorder","263711","2021-04-05","14:29:18",""
"1560200","16.4423","0.0016","20.739","0.0019","15.7833","0.0015","90","","104.388","0.005","90","","5213.2","0.9","100","","100","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C43 H49 B Cl Cu F20 N4 O P3 -","- C43 H49 B Cl Cu F20 N4 O P3 -","- C172 H196 B4 Cl4 Cu4 F80 N16 O4 P12 -","4","1","","Weberg, Alexander B.; McCollom, Samuel P.; Thierer, Laura M.; Gau, Michael R.; Carroll, Patrick J.; Tomson, Neil C.","Using internal electrostatic fields to manipulate the valence manifolds of copper complexes","Chemical Science","2021","12","12","4395","4404","10.1039/D0SC06364A","","","0.71073","MoKα","","0.0401","0.0351","","","0.1009","0.1059","","","","","","1.031","","","","has coordinates","263711","2021-04-05","14:29:18",""
"1560201","16.2129","0.0007","16.8046","0.0007","17.8201","0.0008","90","","90","","90","","4855.1","0.4","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H39 Cl2 Cu N4 P3 -","- C15 H39 Cl2 Cu N4 P3 -","- C120 H312 Cl16 Cu8 N32 P24 -","8","1","","Weberg, Alexander B.; McCollom, Samuel P.; Thierer, Laura M.; Gau, Michael R.; Carroll, Patrick J.; Tomson, Neil C.","Using internal electrostatic fields to manipulate the valence manifolds of copper complexes","Chemical Science","2021","12","12","4395","4404","10.1039/D0SC06364A","","","0.71073","MoKα","","0.0222","0.0197","","","0.0516","0.0531","","","","","","1.056","","","","has coordinates","263711","2021-04-05","14:29:18",""
"1560202","12.8794","0.0005","28.2479","0.001","15.6613","0.0006","90","","110.76","0.001","90","","5327.9","0.3","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C54 H45 B Cu F20 N4 P3 -","- C54 H45 B Cu F20 N4 P3 -","- C216 H180 B4 Cu4 F80 N16 P12 -","4","1","","Weberg, Alexander B.; McCollom, Samuel P.; Thierer, Laura M.; Gau, Michael R.; Carroll, Patrick J.; Tomson, Neil C.","Using internal electrostatic fields to manipulate the valence manifolds of copper complexes","Chemical Science","2021","12","12","4395","4404","10.1039/D0SC06364A","","","0.71073","MoKα","","0.0657","0.0456","","","0.0835","0.0897","","","","","","1.104","","","","has coordinates","263711","2021-04-05","14:29:18",""
"1560203","13.443","0.0019","14.253","0.002","14.599","0.002","93.503","0.007","105.397","0.006","107.916","0.006","2534.8","0.6","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C39 H39 B Cu F20 N4 P3 -","- C39 H39 B Cu F20 N4 P3 -","- C78 H78 B2 Cu2 F40 N8 P6 -","2","1","","Weberg, Alexander B.; McCollom, Samuel P.; Thierer, Laura M.; Gau, Michael R.; Carroll, Patrick J.; Tomson, Neil C.","Using internal electrostatic fields to manipulate the valence manifolds of copper complexes","Chemical Science","2021","12","12","4395","4404","10.1039/D0SC06364A","","","0.71073","MoKα","","0.0558","0.0367","","","0.0873","0.0964","","","","","","1.012","","","","has coordinates","263711","2021-04-05","14:29:18",""
"1560204","9.6009","0.0002","10.3983","0.0002","9.9867","0.0002","90","","115.222","0.001","90","","901.95","0.03","170","2","170","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H18 N2 O2 S2 -","- C19 H18 N2 O2 S2 -","- C38 H36 N4 O4 S4 -","2","1","","Zhong, Xia; Zhong, Ziwei; Wu, Zhikun; Ye, Zhen; Feng, Yuxiang; Dong, Shunxi; Liu, Xiaohua; Peng, Qian; Feng, Xiaoming","Chiral Lewis acid-bonded picolinaldehyde enables enantiodivergent carbonyl catalysis in the Mannich/condensation reaction of glycine ester","Chemical Science","2021","12","12","4353","4360","10.1039/D0SC07052A","","","1.54178","CuKα","","0.0242","0.0236","","","0.0601","0.0607","","","","","","1.038","","","","has coordinates","263714","2021-04-05","14:29:42",""
"1560205","23.069","0.0011","24.5839","0.0012","9.5501","0.0004","90","","90","","90","","5416.1","0.4","150","2","150","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C38 H56 F9 N4 O16 S3 Yb -","- C38 H56 F9 N4 O16 S3 Yb -","- C152 H224 F36 N16 O64 S12 Yb4 -","4","1","","Zhong, Xia; Zhong, Ziwei; Wu, Zhikun; Ye, Zhen; Feng, Yuxiang; Dong, Shunxi; Liu, Xiaohua; Peng, Qian; Feng, Xiaoming","Chiral Lewis acid-bonded picolinaldehyde enables enantiodivergent carbonyl catalysis in the Mannich/condensation reaction of glycine ester","Chemical Science","2021","12","12","4353","4360","10.1039/D0SC07052A","","","0.71073","MoKα","","0.0222","0.0215","","","0.0565","0.0572","","","","","","1.125","","","","has coordinates,has disorder","263714","2021-04-05","14:29:42",""
"1560206","11.9789","0.0005","20.7474","0.0009","12.9099","0.0005","90","","106.293","0.001","90","","3079.7","0.2","140","2","140","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C49 H78 F9 N4 O17 S3 Yb -","- C49 H78 F9 N4 O17 S3 Yb -","- C98 H156 F18 N8 O34 S6 Yb2 -","2","1","","Zhong, Xia; Zhong, Ziwei; Wu, Zhikun; Ye, Zhen; Feng, Yuxiang; Dong, Shunxi; Liu, Xiaohua; Peng, Qian; Feng, Xiaoming","Chiral Lewis acid-bonded picolinaldehyde enables enantiodivergent carbonyl catalysis in the Mannich/condensation reaction of glycine ester","Chemical Science","2021","12","12","4353","4360","10.1039/D0SC07052A","","","1.54178","CuKα","","0.0218","0.0217","","","0.056","0.056","","","","","","1.053","","","","has coordinates","263714","2021-04-05","14:29:42",""
"1560207","8.9363","0.0005","15.5536","0.0009","17.3731","0.0009","106.709","0.004","97.475","0.004","95.961","0.004","2267.6","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C122 H112 O4 S2 -","- C122 H112 O4 S2 -","- C122 H112 O4 S2 -","1","0.5","","Lu, Xuefeng; An, Dongyue; Han, Yi; Zou, Ya; Qiao, Yanjun; Zhang, Ning; Chang, Dongdong; Wu, Jishan; Liu, Yunqi","A cyclopenta-fused dibenzo[b,d]thiophene-co-phenanthrene macrocyclic tetraradicaloid","Chemical Science","2021","12","11","3952","3957","10.1039/D0SC06185A","","","1.54178","CuKα","","0.1777","0.0915","","","0.2296","0.2901","","","","","","0.968","","","","has coordinates,has disorder","263701","2021-04-05","14:26:15",""
"1560208","9.7333","0.001","27.941","0.002","42.675","0.004","75.096","0.007","83.457","0.007","84.935","0.007","11121.3","1.8","298.15","","298.15","","","","","","","","","4","P -1","-P 1","2","","","","- C63 H66 Cu3 N9 -","- C63 H66 Cu3 N9 -","- C504 H528 Cu24 N72 -","8","4","","Xie, Mo; Chen, Xiao-Ru; Wu, Kun; Lu, Zhou; Wang, Kai; Li, Nan; Wei, Rong-Jia; Zhan, Shun-Ze; Ning, Guo-Hong; Zou, Bo; Li, Dan","Pressure-induced phosphorescence enhancement and piezochromism of a carbazole-based cyclic trinuclear Cu(i) complex","Chemical Science","2021","12","12","4425","4431","10.1039/D0SC07058K","","","0.71073","MoKα","","0.5885","0.1609","","","0.2386","0.4138","","","","","","0.948","","","","has coordinates","274567","2022-04-19","14:22:37",""
"1560209","11.4093","0.0001","28.8937","0.0001","17.7109","0.0001","90","","104.338","0.001","90","","5656.66","0.07","99.9","0.2","99.9","0.2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C63 H66 Cu3 N9 -","- C63 H66 Cu3 N9 -","- C252 H264 Cu12 N36 -","4","2","","Xie, Mo; Chen, Xiao-Ru; Wu, Kun; Lu, Zhou; Wang, Kai; Li, Nan; Wei, Rong-Jia; Zhan, Shun-Ze; Ning, Guo-Hong; Zou, Bo; Li, Dan","Pressure-induced phosphorescence enhancement and piezochromism of a carbazole-based cyclic trinuclear Cu(i) complex","Chemical Science","2021","12","12","4425","4431","10.1039/D0SC07058K","","x-ray","1.54184","CuKα","","0.1009","0.099","","","0.251","0.2556","","","","","","1.226","","","","has coordinates","275434","2022-05-16","05:31:58",""
"1560210","11.52641","0.00011","29.1085","0.0003","17.85854","0.00017","90","","103.99","0.001","90","","5814.11","0.1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C63 H66 Cu3 N9 -","- C63 H66 Cu3 N9 -","- C252 H264 Cu12 N36 -","4","1","","Xie, Mo; Chen, Xiao-Ru; Wu, Kun; Lu, Zhou; Wang, Kai; Li, Nan; Wei, Rong-Jia; Zhan, Shun-Ze; Ning, Guo-Hong; Zou, Bo; Li, Dan","Pressure-induced phosphorescence enhancement and piezochromism of a carbazole-based cyclic trinuclear Cu(i) complex","Chemical Science","2021","12","12","4425","4431","10.1039/D0SC07058K","","x-ray","1.54184","CuKα","","0.0717","0.0573","","","0.1758","0.1885","","","","","","1.054","","","","has coordinates,has disorder","263709","2021-04-05","14:28:37",""
"1560211","13.571","0.004","11.046","0.004","19.406","0.006","90","","102.992","0.011","90","","2834.6","1.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H45 Fe N4 O7 -","- C22 H45 Fe N4 O7 -","- C88 H180 Fe4 N16 O28 -","4","1","","Keshari, Kritika; Bera, Moumita; Velasco, Lucía; Munshi, Sandip; Gupta, Geetika; Moonshiram, Dooshaye; Paria, Sayantan","Characterization and reactivity study of non-heme high-valent iron‒hydroxo complexes","Chemical Science","2021","12","12","4418","4424","10.1039/D0SC07054H","","","0.71073","MoKα","","0.0949","0.0617","","","0.1573","0.1908","","","","","","1.067","","","","has coordinates","263707","2021-04-05","14:28:09",""
"1560212","8.1656","0.0012","15.1358","0.0014","15.7979","0.0016","90","","102.468","0.0019","90","","1906.5","0.4","93","2","93","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H16 O2 -","- C30 H16 O2 -","- C120 H64 O8 -","4","1","","Yanagi, Tomoyuki; Tanaka, Takayuki; Yorimitsu, Hideki","Asymmetric systematic synthesis, structures, and (chir)optical properties of a series of dihetero[8]helicenes","Chemical Science","2021","12","8","2784","2793","10.1039/D1SC00044F","","","1.54187","CuKα","","0.0341","0.0313","","","0.0825","0.0844","","","","","","1.046","","","","has coordinates","263683","2021-04-05","14:19:04",""
"1560213","15.9958","0.0001","15.9492","0.0001","7.8148","0.0001","90","","91.516","0.001","90","","1993.02","0.03","93","2","93","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H18 N2 -","- C30 H18 N2 -","- C120 H72 N8 -","4","1","","Yanagi, Tomoyuki; Tanaka, Takayuki; Yorimitsu, Hideki","Asymmetric systematic synthesis, structures, and (chir)optical properties of a series of dihetero[8]helicenes","Chemical Science","2021","12","8","2784","2793","10.1039/D1SC00044F","","","1.54184","CuKα","","0.0394","0.038","","","0.0937","0.0948","","","","","","1.049","","","","has coordinates","263683","2021-04-05","14:19:04",""
"1560214","17.7976","0.0002","10.4721","0.0001","11.7388","0.0001","90","","99.158","0.001","90","","2159.97","0.04","93","2","93","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H8 O2 S -","- C15 H8 O2 S -","- C120 H64 O16 S8 -","8","1","","Yanagi, Tomoyuki; Tanaka, Takayuki; Yorimitsu, Hideki","Asymmetric systematic synthesis, structures, and (chir)optical properties of a series of dihetero[8]helicenes","Chemical Science","2021","12","8","2784","2793","10.1039/D1SC00044F","","","1.54184","CuKα","","0.0362","0.036","","","0.0973","0.0975","","","","","","1.093","","","","has coordinates","263683","2021-04-05","14:19:04",""
"1560215","8.57192","0.00004","20.53361","0.0001","22.43166","0.00011","90","","90","","90","","3948.25","0.03","93","2","93","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C57 H34 Cl2 -","- C57 H34 Cl2 -","- C228 H136 Cl8 -","4","1","","Yanagi, Tomoyuki; Tanaka, Takayuki; Yorimitsu, Hideki","Asymmetric systematic synthesis, structures, and (chir)optical properties of a series of dihetero[8]helicenes","Chemical Science","2021","12","8","2784","2793","10.1039/D1SC00044F","","","1.54184","CuKα","","0.0373","0.0366","","","0.0999","0.1004","","","","","","1.03","","","","has coordinates,has disorder","263683","2021-04-05","14:19:04",""
"1560216","9.338","0.003","13.622","0.003","16.299","0.004","90","","102.204","0.007","90","","2026.4","0.9","93","2","93","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C30 H16 S2 -","- C30 H16 S2 -","- C120 H64 S8 -","4","1","","Yanagi, Tomoyuki; Tanaka, Takayuki; Yorimitsu, Hideki","Asymmetric systematic synthesis, structures, and (chir)optical properties of a series of dihetero[8]helicenes","Chemical Science","2021","12","8","2784","2793","10.1039/D1SC00044F","","","1.54187","CuKα","","0.0318","0.0311","","","0.0794","0.0797","","","","","","1.071","","","","has coordinates","263683","2021-04-05","14:19:04",""
"1560217","9.0201","0.0009","9.0201","0.0009","49.382","0.007","90","","90","","90","","4017.8","0.8","93","2","93","2","","","","","","","","4","P 41 2 2","P 4w 2c","91","","","","- C28.5 H16.5 Cl1.5 O -","- C28.5 H16.5 Cl1.5 O -","- C228 H132 Cl12 O8 -","8","1","","Yanagi, Tomoyuki; Tanaka, Takayuki; Yorimitsu, Hideki","Asymmetric systematic synthesis, structures, and (chir)optical properties of a series of dihetero[8]helicenes","Chemical Science","2021","12","8","2784","2793","10.1039/D1SC00044F","","","1.54187","CuKα","","0.0888","0.0853","","","0.2422","0.2449","","","","","","1.002","","","","has coordinates,has disorder","263683","2021-04-05","14:19:04",""
"1560218","19.84621","0.00017","15.33735","0.0001","19.6362","0.0002","90","","91.1824","0.0008","90","","5975.76","0.09","120","1","120","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C70 H86 B P2 Y -","- C70 H86 B P2 Y -","- C280 H344 B4 P8 Y4 -","4","1","","Wagner, Hannah K.; Wadepohl, Hubert; Ballmann, Joachim","A 2,2′-diphosphinotolane as a versatile precursor for the synthesis of P-ylidic mesoionic carbenes via reversible C‒P bond formation","Chemical Science","2021","12","10","3693","3701","10.1039/D0SC06128J","","x-ray","1.54184","CuKα","K-L~2,3~","0.0645","0.0474","","","0.1042","0.112","","","","","","1.03","","","","has coordinates,has disorder","263670","2021-04-05","14:15:41",""
"1560219","14.68263","0.00018","10.27641","0.00016","28.8561","0.0004","90","","94.9221","0.0012","90","","4337.89","0.11","120","1","120","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C39 H57 Cl2 F6 P2 Ru Sb -","- C36 H50 Cl F6 P2 Ru Sb -","- C144 H200 Cl4 F24 P8 Ru4 Sb4 -","4","1","","Wagner, Hannah K.; Wadepohl, Hubert; Ballmann, Joachim","A 2,2′-diphosphinotolane as a versatile precursor for the synthesis of P-ylidic mesoionic carbenes via reversible C‒P bond formation","Chemical Science","2021","12","10","3693","3701","10.1039/D0SC06128J","","x-ray","0.71073","MoKα","K-L~2,3~","0.0632","0.0395","","","0.0771","0.0844","","","","","","1.024","","","","has coordinates","263670","2021-04-05","14:15:41",""
"1560220","13.847","0.006","11.756","0.006","17.937","0.008","90","","95.395","0.009","90","","2907","2","100","2","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H36 Cl4 Hf P2 -","- C26 H36 Cl4 Hf P2 -","- C104 H144 Cl16 Hf4 P8 -","4","1","","Wagner, Hannah K.; Wadepohl, Hubert; Ballmann, Joachim","A 2,2′-diphosphinotolane as a versatile precursor for the synthesis of P-ylidic mesoionic carbenes via reversible C‒P bond formation","Chemical Science","2021","12","10","3693","3701","10.1039/D0SC06128J","","x-ray","0.71073","MoKα","K-L~2,3~","0.0321","0.0231","","","0.0475","0.0508","","","","","","1.073","","","","has coordinates","263670","2021-04-05","14:15:41",""
"1560221","20.20265","0.0001","16.84883","0.00009","20.7566","0.00009","90","","90","","90","","7065.36","0.06","120","1","120","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C33 H43 Cl5 N P2 Ta -","- C33 H43 Cl5 N P2 Ta -","- C264 H344 Cl40 N8 P16 Ta8 -","8","1","","Wagner, Hannah K.; Wadepohl, Hubert; Ballmann, Joachim","A 2,2′-diphosphinotolane as a versatile precursor for the synthesis of P-ylidic mesoionic carbenes via reversible C‒P bond formation","Chemical Science","2021","12","10","3693","3701","10.1039/D0SC06128J","","x-ray","0.71073","MoKα","K-L~2,3~","0.0231","0.0196","","","0.0461","0.0476","","","","","","1.027","","","","has coordinates","263670","2021-04-05","14:15:41",""
"1560222","12.12","0.005","18.798","0.008","15.683","0.006","90","","111.303","0.006","90","","3329","2","100","2","100","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30.5 H39 Br Cl3 Mn O3 P2 -","- C30.5 H39 Br Cl3 Mn O3 P2 -","- C122 H156 Br4 Cl12 Mn4 O12 P8 -","4","1","","Wagner, Hannah K.; Wadepohl, Hubert; Ballmann, Joachim","A 2,2′-diphosphinotolane as a versatile precursor for the synthesis of P-ylidic mesoionic carbenes via reversible C‒P bond formation","Chemical Science","2021","12","10","3693","3701","10.1039/D0SC06128J","","x-ray","0.71073","MoKα","K-L~2,3~","0.0355","0.0285","","","0.0754","0.079","","","","","","1.031","","","","has coordinates,has disorder","263670","2021-04-05","14:15:41",""
"1560223","11.87864","0.00015","15.68278","0.00018","15.58857","0.00018","90","","102.773","0.0012","90","","2832.13","0.06","120","1","120","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H36 Cr O4 P2 -","- C30 H36 Cr O4 P2 -","- C120 H144 Cr4 O16 P8 -","4","1","","Wagner, Hannah K.; Wadepohl, Hubert; Ballmann, Joachim","A 2,2′-diphosphinotolane as a versatile precursor for the synthesis of P-ylidic mesoionic carbenes via reversible C‒P bond formation","Chemical Science","2021","12","10","3693","3701","10.1039/D0SC06128J","","x-ray","0.71073","MoKα","K-L~2,3~","0.0463","0.0399","","","0.0852","0.0881","","","","","","1.09","","","","has coordinates","263670","2021-04-05","14:15:41",""
"1560224","18.1766","0.00019","11.59885","0.00008","21.4296","0.0002","90","","114.947","0.0012","90","","4096.41","0.08","120","1","120","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C45 H60 Cl N O2 P2 Pt -","- C41 H52 Cl N O P2 Pt -","- C164 H208 Cl4 N4 O4 P8 Pt4 -","4","1","","Wagner, Hannah K.; Wadepohl, Hubert; Ballmann, Joachim","A 2,2′-diphosphinotolane as a versatile precursor for the synthesis of P-ylidic mesoionic carbenes via reversible C‒P bond formation","Chemical Science","2021","12","10","3693","3701","10.1039/D0SC06128J","","x-ray","0.71073","MoKα","K-L~2,3~","0.0408","0.0313","","","0.0592","0.0617","","","","","","1.104","","","","has coordinates","263670","2021-04-05","14:15:41",""
"1560225","8.68119","0.0001","24.5831","0.0003","20.7842","0.0003","90","","96.7728","0.0011","90","","4404.61","0.1","120","1","120","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38 H55 Cl5 F6 P2 Rh Sb -","- C37 H53 Cl3 F6 P2 Rh Sb -","- C148 H212 Cl12 F24 P8 Rh4 Sb4 -","4","1","","Wagner, Hannah K.; Wadepohl, Hubert; Ballmann, Joachim","A 2,2′-diphosphinotolane as a versatile precursor for the synthesis of P-ylidic mesoionic carbenes via reversible C‒P bond formation","Chemical Science","2021","12","10","3693","3701","10.1039/D0SC06128J","","x-ray","0.71073","MoKα","K-L~2,3~","0.0773","0.0562","","","0.1219","0.131","","","","","","1.052","","","","has coordinates","263670","2021-04-05","14:15:41",""
"1560226","10.771","0.005","18.02","0.009","16.983","0.008","90","","97.989","0.012","90","","3264","3","100","2","100","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H42 N2 O3 P2 W -","- C33 H42 N2 O3 P2 W -","- C132 H168 N8 O12 P8 W4 -","4","1","","Wagner, Hannah K.; Wadepohl, Hubert; Ballmann, Joachim","A 2,2′-diphosphinotolane as a versatile precursor for the synthesis of P-ylidic mesoionic carbenes via reversible C‒P bond formation","Chemical Science","2021","12","10","3693","3701","10.1039/D0SC06128J","","x-ray","0.71073","MoKα","K-L~2,3~","0.0282","0.0206","","","0.0439","0.0467","","","","","","1.07","","","","has coordinates,has disorder","263670","2021-04-05","14:15:41",""
"1560227","15.652","0.0007","16.072","0.0007","22.3038","0.0012","90","","90","","90","","5610.7","0.5","120","1","120","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C29 H36 O3 P2 W -","- C29 H36 O3 P2 W -","- C232 H288 O24 P16 W8 -","8","1","","Wagner, Hannah K.; Wadepohl, Hubert; Ballmann, Joachim","A 2,2′-diphosphinotolane as a versatile precursor for the synthesis of P-ylidic mesoionic carbenes via reversible C‒P bond formation","Chemical Science","2021","12","10","3693","3701","10.1039/D0SC06128J","","x-ray","0.71073","MoKα","K-L~2,3~","0.1058","0.0678","","","0.1097","0.1252","","","","","","1.076","","","","has coordinates","263670","2021-04-05","14:15:41",""
"1560228","10.771","0.004","18.08","0.007","16.992","0.007","90","","97.838","0.01","90","","3278","2","100","2","100","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H42 Mo N2 O3 P2 -","- C33 H42 Mo N2 O3 P2 -","- C132 H168 Mo4 N8 O12 P8 -","4","1","","Wagner, Hannah K.; Wadepohl, Hubert; Ballmann, Joachim","A 2,2′-diphosphinotolane as a versatile precursor for the synthesis of P-ylidic mesoionic carbenes via reversible C‒P bond formation","Chemical Science","2021","12","10","3693","3701","10.1039/D0SC06128J","","x-ray","0.71073","MoKα","K-L~2,3~","0.0431","0.0316","","","0.0746","0.0803","","","","","","1.031","","","","has coordinates","263670","2021-04-05","14:15:41",""
"1560229","10.8424","0.0003","15.9246","0.0005","22.3877","0.0005","90","","101.63","0.003","90","","3786.12","0.18","120","1","120","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H52 Mo O6 P2 -","- C38 H52 Mo O6 P2 -","- C152 H208 Mo4 O24 P8 -","4","1","","Wagner, Hannah K.; Wadepohl, Hubert; Ballmann, Joachim","A 2,2′-diphosphinotolane as a versatile precursor for the synthesis of P-ylidic mesoionic carbenes via reversible C‒P bond formation","Chemical Science","2021","12","10","3693","3701","10.1039/D0SC06128J","","x-ray","0.71073","MoKα","K-L~2,3~","0.109","0.0715","","","0.1633","0.1833","","","","","","1.073","","","","has coordinates","263670","2021-04-05","14:15:41",""
"1560230","32.514","0.0004","11.57882","0.00009","39.5477","0.0004","90","","113.917","0.0013","90","","13610.2","0.3","120","1","120","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C35 H48 Mo O4.5 P2 -","- C35 H48 Mo O4.5 P2 -","- C560 H768 Mo16 O72 P32 -","16","2","","Wagner, Hannah K.; Wadepohl, Hubert; Ballmann, Joachim","A 2,2′-diphosphinotolane as a versatile precursor for the synthesis of P-ylidic mesoionic carbenes via reversible C‒P bond formation","Chemical Science","2021","12","10","3693","3701","10.1039/D0SC06128J","","x-ray","1.54184","CuKα","K-L~2,3~","0.0457","0.0417","","","0.0976","0.0998","","","","","","1.026","","","","has coordinates","263670","2021-04-05","14:15:41",""
"1560231","11.28458","0.00015","13.79053","0.00015","47.7699","0.0004","90","","90.5291","0.001","90","","7433.65","0.14","120","1","120","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C86 H100 Au B F2 O P2 -","- C76 H85.612 Au B F P2 -","- C304 H342.448 Au4 B4 F4 P8 -","4","1","","Wagner, Hannah K.; Wadepohl, Hubert; Ballmann, Joachim","A 2,2′-diphosphinotolane as a versatile precursor for the synthesis of P-ylidic mesoionic carbenes via reversible C‒P bond formation","Chemical Science","2021","12","10","3693","3701","10.1039/D0SC06128J","","x-ray","0.71073","MoKα","K-L~2,3~","0.1206","0.0764","","","0.1264","0.1384","","","","","","1.127","","","","has coordinates,has disorder","263670","2021-04-05","14:15:41",""
"1560232","15.65317","0.00006","16.11165","0.00008","22.26048","0.00009","90","","90","","90","","5614.06","0.04","120","1","120","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C29 H36 Mo O3 P2 -","- C29 H36 Mo O3 P2 -","- C232 H288 Mo8 O24 P16 -","8","1","","Wagner, Hannah K.; Wadepohl, Hubert; Ballmann, Joachim","A 2,2′-diphosphinotolane as a versatile precursor for the synthesis of P-ylidic mesoionic carbenes via reversible C‒P bond formation","Chemical Science","2021","12","10","3693","3701","10.1039/D0SC06128J","","x-ray","1.54184","CuKα","K-L~2,3~","0.0201","0.0192","","","0.0447","0.0451","","","","","","1.09","","","","has coordinates","263670","2021-04-05","14:15:41",""
"1560233","20.688","0.011","26.218","0.015","40.07","0.02","90","","95.99","0.01","90","","21615","2","100","2","100","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H82 O3 P2 S2 Zn -","- C51 H72 O1.75 P2 S2 Zn -","- C816 H1152 O28 P32 S32 Zn16 -","16","4","","Wagner, Hannah K.; Wadepohl, Hubert; Ballmann, Joachim","A 2,2′-diphosphinotolane as a versatile precursor for the synthesis of P-ylidic mesoionic carbenes via reversible C‒P bond formation","Chemical Science","2021","12","10","3693","3701","10.1039/D0SC06128J","","x-ray","0.71073","MoKα","K-L~2,3~","0.1325","0.0627","","","0.1318","0.1603","","","","","","1.006","","","","has coordinates,has disorder","263670","2021-04-05","14:15:41",""
"1560236","17.6827","0.0001","10.4422","0.0001","22.5408","0.0002","90","","90","","90","","4162.08","0.06","99.97","0.13","99.97","0.13","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C32 H43 Ba N6 O11 S2 -","- C32 H43 Ba N6 O11 S2 -","- C128 H172 Ba4 N24 O44 S8 -","4","1","","Abou, Diane S.; Thiele, Nikki A.; Gutsche, Nicholas T.; Villmer, Alexandria; Zhang, Hanwen; Woods, Joshua J.; Baidoo, Kwamena E.; Escorcia, Freddy E.; Wilson, Justin J.; Thorek, Daniel L. J.","Towards the stable chelation of radium for biomedical applications with an 18-membered macrocyclic ligand","Chemical Science","2021","12","10","3733","3742","10.1039/D0SC06867E","","x-ray","1.54184","CuKα","","0.0702","0.0698","","","0.2009","0.2018","","","","","","1.113","","","","has coordinates,has disorder","263665","2021-04-05","14:12:03",""
"1560237","16.297","0.0001","17.0451","0.0001","17.8125","0.0001","90","","90","","90","","4948.03","0.05","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C59 H76 Cl Ir N2 -","- C59 H76 Cl Ir N2 -","- C236 H304 Cl4 Ir4 N8 -","4","1","","Foster, Daven; Gao, Pengchao; Zhang, Ziyun; Sipos, Gellért; Sobolev, Alexandre N.; Nealon, Gareth; Falivene, Laura; Cavallo, Luigi; Dorta, Reto","Design, scope and mechanism of highly active and selective chiral NHC‒iridium catalysts for the intramolecular hydroamination of a variety of unactivated aminoalkenes","Chemical Science","2021","12","10","3751","3767","10.1039/D0SC05884J","","","1.54178","CuKα","","0.0296","0.0271","","","0.0645","0.0663","","","","","","1.001","","","","has coordinates","263680","2021-04-05","14:17:52",""
"1560238","9.3936","0.0009","16.783","0.0016","17.8687","0.0017","75.171","0.004","83.247","0.004","84.427","0.004","2697.7","0.4","170","","170","","","","","","","","","5","P -1","-P 1","2","","","","- C55 H64 Br2 N4 O13 -","- C55 H64 Br2 N4 O13 -","- C110 H128 Br4 N8 O26 -","2","1","","Wilson, Benjamin H.; Abdulla, Louae M.; Schurko, Robert W.; Loeb, Stephen J.","Translational dynamics of a non-degenerate molecular shuttle imbedded in a zirconium metal‒organic framework","Chemical Science","2021","12","11","3944","3951","10.1039/D0SC06837C","","","1.54178","CuKα","","0.2112","0.152","","","0.2536","0.2761","","","","","","1.341","","","","has coordinates","263700","2021-04-05","14:25:59",""
"1560239","19.889","0.005","18.209","0.004","33.691","0.007","90","","105.93","0.02","90","","11733","5","170","","170","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H52 Br2 N4 O12 -","- C50 H52 Br2 N4 O12 -","- C400 H416 Br16 N32 O96 -","8","2","","Wilson, Benjamin H.; Abdulla, Louae M.; Schurko, Robert W.; Loeb, Stephen J.","Translational dynamics of a non-degenerate molecular shuttle imbedded in a zirconium metal‒organic framework","Chemical Science","2021","12","11","3944","3951","10.1039/D0SC06837C","","x-ray","1.54184","CuKα","","0.2789","0.2005","","","0.4848","0.5352","","","","","","1.35","","","","has coordinates,has disorder","263700","2021-04-05","14:26:06",""
"1560240","28.49","0.02","10.505","0.004","43.418","0.018","90","","106.34","0.05","90","","12470","12","170","","170","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C57 H67.5 B Br2 F4 N4.5 O12.5 -","- C57 H67.5 B Br2 F4 N4.5 O12.5 -","- C456 H540 B8 Br16 F32 N36 O100 -","8","2","","Wilson, Benjamin H.; Abdulla, Louae M.; Schurko, Robert W.; Loeb, Stephen J.","Translational dynamics of a non-degenerate molecular shuttle imbedded in a zirconium metal‒organic framework","Chemical Science","2021","12","11","3944","3951","10.1039/D0SC06837C","","","1.54178","CuKα","","0.1323","0.1139","","","0.2936","0.3088","","","","","","1.041","","","","has coordinates,has disorder","263700","2021-04-05","14:26:06",""
"1560241","9.60831","0.00008","33.8371","0.0003","10.09764","0.0001","90","","99.1105","0.0008","90","","3241.5","0.05","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H41 F3 P2 -","- C38 H41 F3 P2 -","- C152 H164 F12 P8 -","4","1","","Handelmann, Jens; Babu, Chatla Naga; Steinert, Henning; Schwarz, Christopher; Scherpf, Thorsten; Kroll, Alexander; Gessner, Viktoria H.","Towards the rational design of ylide-substituted phosphines for gold(i)-catalysis: from inactive to ppm-level catalysis","Chemical Science","2021","12","12","4329","4337","10.1039/D1SC00105A","","","1.54184","CuKα","","0.0404","0.0364","","","0.0953","0.0982","","","","","","1.04","","","","has coordinates","263710","2021-04-05","14:29:02",""
"1560242","10.9245","0.0002","12.9655","0.0003","14.1731","0.0002","63.574","0.002","81.1475","0.0015","75.1466","0.0018","1735.83","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C41.79 H50.79 Cl0.41 N0.79 P2 -","- C41.794 H50.794 Cl0.412 N0.794 P2 -","- C83.588 H101.588 Cl0.824 N1.588 P4 -","2","1","","Handelmann, Jens; Babu, Chatla Naga; Steinert, Henning; Schwarz, Christopher; Scherpf, Thorsten; Kroll, Alexander; Gessner, Viktoria H.","Towards the rational design of ylide-substituted phosphines for gold(i)-catalysis: from inactive to ppm-level catalysis","Chemical Science","2021","12","12","4329","4337","10.1039/D1SC00105A","","","1.54184","CuKα","","0.035","0.0334","","","0.087","0.088","","","","","","1.043","","","","has coordinates,has disorder","263710","2021-04-05","14:29:02",""
"1560243","41.898","0.003","15.2834","0.0004","11.6875","0.0009","90","","93.097","0.008","90","","7473.1","0.8","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H44 Au Cl O P2 -","- C38 H44 Au Cl O P2 -","- C304 H352 Au8 Cl8 O8 P16 -","8","1","","Handelmann, Jens; Babu, Chatla Naga; Steinert, Henning; Schwarz, Christopher; Scherpf, Thorsten; Kroll, Alexander; Gessner, Viktoria H.","Towards the rational design of ylide-substituted phosphines for gold(i)-catalysis: from inactive to ppm-level catalysis","Chemical Science","2021","12","12","4329","4337","10.1039/D1SC00105A","","","1.54184","CuKα","","0.0295","0.0285","","","0.079","0.0798","","","","","","1.061","","","","has coordinates","263710","2021-04-05","14:29:02",""
"1560244","9.3045","0.0004","10.502","0.0004","18.6397","0.0006","97.739","0.003","91.819","0.003","94.738","0.003","1796.94","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H50 Au Cl O P2 -","- C41 H50 Au Cl O P2 -","- C82 H100 Au2 Cl2 O2 P4 -","2","1","","Handelmann, Jens; Babu, Chatla Naga; Steinert, Henning; Schwarz, Christopher; Scherpf, Thorsten; Kroll, Alexander; Gessner, Viktoria H.","Towards the rational design of ylide-substituted phosphines for gold(i)-catalysis: from inactive to ppm-level catalysis","Chemical Science","2021","12","12","4329","4337","10.1039/D1SC00105A","","","1.54184","CuKα","","0.0483","0.0466","","","0.1291","0.1332","","","","","","1.081","","","","has coordinates,has disorder","263710","2021-04-05","14:29:02",""
"1560245","10.29027","0.00019","10.5467","0.0002","29.0177","0.0006","90","","96.2428","0.0017","90","","3130.57","0.11","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C38 H44 P2 -","- C38 H44 P2 -","- C152 H176 P8 -","4","1","","Handelmann, Jens; Babu, Chatla Naga; Steinert, Henning; Schwarz, Christopher; Scherpf, Thorsten; Kroll, Alexander; Gessner, Viktoria H.","Towards the rational design of ylide-substituted phosphines for gold(i)-catalysis: from inactive to ppm-level catalysis","Chemical Science","2021","12","12","4329","4337","10.1039/D1SC00105A","","","1.54184","CuKα","","0.0532","0.0397","","","0.0993","0.1076","","","","","","1.033","","","","has coordinates","263710","2021-04-05","14:29:02",""
"1560246","11.24594","0.00015","18.3601","0.0002","18.9125","0.0003","90","","95.9476","0.0012","90","","3883.97","0.09","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H52 Au Cl P2 -","- C45 H52 Au Cl P2 -","- C180 H208 Au4 Cl4 P8 -","4","1","","Handelmann, Jens; Babu, Chatla Naga; Steinert, Henning; Schwarz, Christopher; Scherpf, Thorsten; Kroll, Alexander; Gessner, Viktoria H.","Towards the rational design of ylide-substituted phosphines for gold(i)-catalysis: from inactive to ppm-level catalysis","Chemical Science","2021","12","12","4329","4337","10.1039/D1SC00105A","","","1.54184","CuKα","","0.0261","0.0247","","","0.0608","0.0616","","","","","","1.072","","","","has coordinates","263710","2021-04-05","14:29:02",""
"1560247","12.0432","0.0002","16.7764","0.0002","17.8978","0.0002","90","","106.65","0.001","90","","3464.49","0.08","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H48 Au Cl P2 -","- C40 H48 Au Cl P2 -","- C160 H192 Au4 Cl4 P8 -","4","1","","Handelmann, Jens; Babu, Chatla Naga; Steinert, Henning; Schwarz, Christopher; Scherpf, Thorsten; Kroll, Alexander; Gessner, Viktoria H.","Towards the rational design of ylide-substituted phosphines for gold(i)-catalysis: from inactive to ppm-level catalysis","Chemical Science","2021","12","12","4329","4337","10.1039/D1SC00105A","","x-ray","1.54184","CuKα","","0.0197","0.0189","","","0.049","0.0494","","","","","","1.06","","","","has coordinates","263710","2021-04-05","14:29:02",""
"1560248","11.01072","0.00016","17.1399","0.0002","18.8182","0.0002","80.1354","0.0011","77.3539","0.0012","89.9789","0.0012","3411.48","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H41 Au Cl F3 P2 -","- C38 H41 Au Cl F3 P2 -","- C152 H164 Au4 Cl4 F12 P8 -","4","2","","Handelmann, Jens; Babu, Chatla Naga; Steinert, Henning; Schwarz, Christopher; Scherpf, Thorsten; Kroll, Alexander; Gessner, Viktoria H.","Towards the rational design of ylide-substituted phosphines for gold(i)-catalysis: from inactive to ppm-level catalysis","Chemical Science","2021","12","12","4329","4337","10.1039/D1SC00105A","","","1.54184","CuKα","","0.0244","0.0228","","","0.0588","0.0594","","","","","","1.093","","","","has coordinates","263710","2021-04-05","14:29:02",""
"1560249","11.3956","0.00015","15.6766","0.0002","18.1208","0.0003","90","","90","","90","","3237.18","0.08","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C38 H44 O P2 -","- C38 H44 O P2 -","- C152 H176 O4 P8 -","4","1","","Handelmann, Jens; Babu, Chatla Naga; Steinert, Henning; Schwarz, Christopher; Scherpf, Thorsten; Kroll, Alexander; Gessner, Viktoria H.","Towards the rational design of ylide-substituted phosphines for gold(i)-catalysis: from inactive to ppm-level catalysis","Chemical Science","2021","12","12","4329","4337","10.1039/D1SC00105A","","","1.54184","CuKα","","0.0384","0.0367","","","0.0966","0.0984","","","","","","1.019","","","","has coordinates,has disorder","263710","2021-04-05","14:29:02",""
"1560250","9.3576","0.0005","13.3096","0.0006","14.9346","0.0008","93.442","0.004","93.343","0.004","107.914","0.004","1760.89","0.16","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C44 H50 P2 -","- C44 H50 P2 -","- C88 H100 P4 -","2","1","","Handelmann, Jens; Babu, Chatla Naga; Steinert, Henning; Schwarz, Christopher; Scherpf, Thorsten; Kroll, Alexander; Gessner, Viktoria H.","Towards the rational design of ylide-substituted phosphines for gold(i)-catalysis: from inactive to ppm-level catalysis","Chemical Science","2021","12","12","4329","4337","10.1039/D1SC00105A","","","1.54184","CuKα","","0.0503","0.0389","","","0.0917","0.0998","","","","","","1.023","","","","has coordinates,has disorder","263710","2021-04-05","14:29:02",""
"1560274","9.4575","0.0006","13.1739","0.0008","12.1272","0.0007","90","","101.138","0.002","90","","1482.49","0.16","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H40 K N O6 -","- C32 H40 K N O6 -","- C64 H80 K2 N2 O12 -","2","1","","Panetti, Grace B.; Carroll, Patrick J.; Gau, Michael R.; Manor, Brian C.; Schelter, Eric J.; Walsh, Patrick J.","Synthesis of an elusive, stable 2-azaallyl radical guided by electrochemical and reactivity studies of 2-azaallyl anions","Chemical Science","2021","12","12","4405","4410","10.1039/D0SC04822D","","","0.71073","MoKα","","0.0239","0.0231","","","0.0581","0.0587","","","","","","1.064","","","","has coordinates","263715","2021-04-05","14:29:56",""
"1560275","17.7615","0.0007","11.8703","0.0004","34.9201","0.0013","90","","100.04","0.002","90","","7249.6","0.5","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H50 N Na O6 -","- C38 H50 N Na O6 -","- C304 H400 N8 Na8 O48 -","8","2","","Panetti, Grace B.; Carroll, Patrick J.; Gau, Michael R.; Manor, Brian C.; Schelter, Eric J.; Walsh, Patrick J.","Synthesis of an elusive, stable 2-azaallyl radical guided by electrochemical and reactivity studies of 2-azaallyl anions","Chemical Science","2021","12","12","4405","4410","10.1039/D0SC04822D","","","0.71073","MoKα","","0.0601","0.0414","","","0.0958","0.1048","","","","","","1.015","","","","has coordinates,has disorder","263715","2021-04-05","14:29:56",""
"1560276","11.6153","0.0005","11.6198","0.0005","12.645","0.0006","104.751","0.002","95.937","0.002","99.774","0.002","1607.08","0.13","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H46 N Na O6 -","- C32 H46 N Na O6 -","- C64 H92 N2 Na2 O12 -","2","1","","Panetti, Grace B.; Carroll, Patrick J.; Gau, Michael R.; Manor, Brian C.; Schelter, Eric J.; Walsh, Patrick J.","Synthesis of an elusive, stable 2-azaallyl radical guided by electrochemical and reactivity studies of 2-azaallyl anions","Chemical Science","2021","12","12","4405","4410","10.1039/D0SC04822D","","","0.71073","MoKα","","0.0553","0.0471","","","0.1206","0.1277","","","","","","1.028","","","","has coordinates","263715","2021-04-05","14:29:56",""
"1560277","9.8522","0.0009","7.7653","0.0007","12.2084","0.0011","90","","95.841","0.005","90","","929.16","0.15","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H20 N -","- C26 H20 N -","- C52 H40 N2 -","2","1","","Panetti, Grace B.; Carroll, Patrick J.; Gau, Michael R.; Manor, Brian C.; Schelter, Eric J.; Walsh, Patrick J.","Synthesis of an elusive, stable 2-azaallyl radical guided by electrochemical and reactivity studies of 2-azaallyl anions","Chemical Science","2021","12","12","4405","4410","10.1039/D0SC04822D","","","0.71073","MoKα","","0.0337","0.031","","","0.0761","0.0775","","","","","","1.061","","","","has coordinates","263715","2021-04-05","14:29:56",""
"1560278","11.6347","0.0005","18.1467","0.0009","31.5962","0.0014","90","","95.756","0.002","90","","6637.3","0.5","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C64 H92 Li2 N2 O12 -","- C64 H92 Li2 N2 O12 -","- C256 H368 Li8 N8 O48 -","4","1","","Panetti, Grace B.; Carroll, Patrick J.; Gau, Michael R.; Manor, Brian C.; Schelter, Eric J.; Walsh, Patrick J.","Synthesis of an elusive, stable 2-azaallyl radical guided by electrochemical and reactivity studies of 2-azaallyl anions","Chemical Science","2021","12","12","4405","4410","10.1039/D0SC04822D","","","0.71073","MoKα","","0.0942","0.0799","","","0.1849","0.1933","","","","","","1.105","","","","has coordinates,has disorder","263715","2021-04-05","14:29:56",""
"1560279","7.2814","0.0002","10.1224","0.0002","12.178","0.0003","92.523","0.002","106.963","0.002","100.062","0.002","841.02","0.04","173","2","173","","","","","","","","","4","P -1","-P 1","2","","","","- C17.24 H19.73 N3 O4.75 -","- C17.244 H19.734 N3 O4.754 -","- C34.488 H39.468 N6 O9.508 -","2","1","","Brownsey, Duncan K.; Rowley, Ben C.; Gorobets, Evgueni; Gelfand, Benjamin S.; Derksen, Darren J.","Rapid synthesis of pomalidomide-conjugates for the development of protein degrader libraries","Chemical Science","2021","12","12","4519","4525","10.1039/D0SC05442A","","","1.54178","CuKα","","0.049","0.0482","","","0.1237","0.1247","","","","","","1.068","","","","has coordinates,has disorder","263713","2021-04-05","14:29:32",""
"1560298","12.6493","0.0002","9.244","0.0002","18.0005","0.0003","90","","90","","90","","2104.8","0.07","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","methyl 4-(5,5-difluoro-5H-4l4,5l4-dipyrrolo[1,2-c:2',1'-f][1,3,2]diazaborinin-10-yl)-2-methylene-3-phenylpentanoate","","- C22 H21 B F2 N2 O2 -","- C22 H21 B F2 N2 O2 -","- C88 H84 B4 F8 N8 O8 -","4","1","","Meazza, Marta; Cruz, Carlos M.; Ortuño, Ana M.; Cuerva, Juan M.; Crovetto, Luis; Rios, Ramon","Studying the reactivity of alkyl substituted BODIPYs: first enantioselective addition of BODIPY to MBH carbonates","Chemical Science","2021","12","12","4503","4508","10.1039/D0SC06574A","","x-ray","0.71073","MoKα","","0.0724","0.0612","","","0.1535","0.1622","","","","","","1.09","","","","has coordinates","263717","2021-04-05","14:30:35",""
"1560301","25.3115","0.0007","44.5483","0.0014","10.235","0.0002","90","","90","","90","","11540.8","0.5","90","2","90","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C144 H124 N2 P8 Ru2 S -","- C144 H124 N2 P8 Ru2 S -","- C576 H496 N8 P32 Ru8 S4 -","4","1","","Tanaka, Yuya; Kato, Yuya; Sugimoto, Kaho; Kawano, Reo; Tada, Tomofumi; Fujii, Shintaro; Kiguchi, Manabu; Akita, Munetaka","Single-molecule junctions of multinuclear organometallic wires: long-range carrier transport brought about by metal‒metal interaction","Chemical Science","2021","12","12","4338","4344","10.1039/D0SC06613C","","x-ray","1.54184","CuKα","","0.0716","0.0518","","","0.1377","0.152","","","","","","1.038","","","","has coordinates,has disorder","263716","2021-04-05","14:30:19",""
"1560302","12.3659","0.0003","17.9279","0.0005","20.5933","0.0005","108.974","0.002","100.29","0.002","100.6","0.002","4101.7","0.2","93","","93","","","","","","","","","6","P -1","-P 1","2","","","","- C198 H178 P12 Ru3 S2 Si2 -","- C198 H178 P12 Ru3 S2 Si2 -","- C198 H178 P12 Ru3 S2 Si2 -","1","0.5","","Tanaka, Yuya; Kato, Yuya; Sugimoto, Kaho; Kawano, Reo; Tada, Tomofumi; Fujii, Shintaro; Kiguchi, Manabu; Akita, Munetaka","Single-molecule junctions of multinuclear organometallic wires: long-range carrier transport brought about by metal‒metal interaction","Chemical Science","2021","12","12","4338","4344","10.1039/D0SC06613C","","","1.54184","CuKα","","0.1114","0.089","","","0.2561","0.2693","","","","","","1.077","","","","has coordinates,has disorder","263716","2021-04-05","14:30:19",""
"1560303","10.107","0.0012","15.3835","0.0018","37.02","0.004","83.51","0.002","89.395","0.002","86.371","0.002","5707.5","1.1","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C126 H116 P8 Ru2 S Si2 -","- C126 H116 P8 Ru2 S Si2 -","- C252 H232 P16 Ru4 S2 Si4 -","2","1","","Tanaka, Yuya; Kato, Yuya; Sugimoto, Kaho; Kawano, Reo; Tada, Tomofumi; Fujii, Shintaro; Kiguchi, Manabu; Akita, Munetaka","Single-molecule junctions of multinuclear organometallic wires: long-range carrier transport brought about by metal‒metal interaction","Chemical Science","2021","12","12","4338","4344","10.1039/D0SC06613C","","","0.71073","MoKα","","0.0904","0.0664","","","0.1577","0.1684","","","","","","1.0333","","","","has coordinates,has disorder","263716","2021-04-05","14:30:19",""
"1560304","7.5851","0.0007","43.318","0.003","8.593","0.0008","90","","100.325","0.002","90","","2777.7","0.4","273","2","273.15","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","4a","","","- C25 H14 O3 S -","- C25 H14 O3 S -","- C150 H84 O18 S6 -","6","1.5","","Shaikh, Aslam C.; Veleta, José M.; Moutet, Jules; Gianetti, Thomas L.","Trioxatriangulenium (TOTA+) as a robust carbon-based Lewis acid in frustrated Lewis pair chemistry","Chemical Science","2021","12","13","4841","4849","10.1039/D0SC05893A","","","0.71073","MoKα","","0.0652","0.0425","","","0.0939","0.1028","","","","","","1.041","","","","has coordinates,has disorder","265919","2021-06-05","17:55:55",""
"1560305","13.4502","0.0006","15.5304","0.0007","16.0826","0.0007","106.612","0.002","101.513","0.001","105.375","0.001","2962.9","0.2","100","","100","","","","","","","","","6","P -1","-P 1","2","11","","","- C62 H41 B F24 N2 O3 -","- C62 H41 B F24 N2 O3 -","- C124 H82 B2 F48 N4 O6 -","2","1","","Shaikh, Aslam C.; Veleta, José M.; Moutet, Jules; Gianetti, Thomas L.","Trioxatriangulenium (TOTA+) as a robust carbon-based Lewis acid in frustrated Lewis pair chemistry","Chemical Science","2021","12","13","4841","4849","10.1039/D0SC05893A","","","0.71073","MoKα","","0.0572","0.0442","","","0.1091","0.1187","","","","","","1.051","","","","has coordinates,has disorder","265919","2021-06-05","17:55:55",""
"1560306","13.1828","0.0013","17.102","0.0016","17.4082","0.0017","114.902","0.003","105.306","0.003","96.778","0.003","3313.7","0.6","103.85","","103.85","","","","","","","","","8","P -1","-P 1","2","9","","","- C70.5 H56 B Cl F24 N3 O3 P -","- C70.5 H56 B Cl F24 N3 O3 P -","- C141 H112 B2 Cl2 F48 N6 O6 P2 -","2","1","","Shaikh, Aslam C.; Veleta, José M.; Moutet, Jules; Gianetti, Thomas L.","Trioxatriangulenium (TOTA+) as a robust carbon-based Lewis acid in frustrated Lewis pair chemistry","Chemical Science","2021","12","13","4841","4849","10.1039/D0SC05893A","","","0.71073","MoKα","","0.0772","0.0523","","","0.1337","0.1531","","","","","","1.051","","","","has coordinates,has disorder","265919","2021-06-05","17:55:55",""
"1560307","19.596","0.0013","18.3533","0.0013","18.172","0.0013","90","","108.476","0.004","90","","6198.7","0.8","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","8","","","- C64 H50 B F24 O4 P -","- C64 H50 B F24 O4 P -","- C256 H200 B4 F96 O16 P4 -","4","1","","Shaikh, Aslam C.; Veleta, José M.; Moutet, Jules; Gianetti, Thomas L.","Trioxatriangulenium (TOTA+) as a robust carbon-based Lewis acid in frustrated Lewis pair chemistry","Chemical Science","2021","12","13","4841","4849","10.1039/D0SC05893A","","","0.71073","MoKα","","0.1158","0.0828","","","0.1955","0.2159","","","","","","1.07","","","","has coordinates,has disorder","265919","2021-06-05","17:55:55",""
"1560308","10.071","0.0003","18.5524","0.0004","13.0354","0.0004","90","","111.106","0.003","90","","2272.16","0.12","99.95","0.13","99.95","0.13","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","3a","","","- C23 H20 B Cl2 F4 O3 P -","- C23 H20 B Cl2 F4 O3 P -","- C92 H80 B4 Cl8 F16 O12 P4 -","4","1","","Shaikh, Aslam C.; Veleta, José M.; Moutet, Jules; Gianetti, Thomas L.","Trioxatriangulenium (TOTA+) as a robust carbon-based Lewis acid in frustrated Lewis pair chemistry","Chemical Science","2021","12","13","4841","4849","10.1039/D0SC05893A","","x-ray","0.71073","MoKα","","0.058","0.0393","","","0.0902","0.0987","","","","","","1.023","","","","has coordinates,has disorder","265919","2021-06-05","17:55:55",""
"1560309","14.2681","0.0007","3.9182","0.0002","17.1782","0.001","90","","109.954","0.002","90","","902.7","0.08","108","2","108","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","RM436","","","- C12 H8 N2 O -","- C12 H8 N2 O -","- C48 H32 N8 O4 -","4","1","","Mayer, Robert J.; Allihn, Patrick W. A.; Hampel, Nathalie; Mayer, Peter; Sieber, Stephan A.; Ofial, Armin R.","Electrophilic reactivities of cyclic enones and α,β-unsaturated lactones","Chemical Science","2021","12","13","4850","4865","10.1039/D0SC06628A","","","0.71073","MoKα","","0.0598","0.046","","","0.1064","0.1119","","","","","","1.089","","","","has coordinates","265918","2021-06-05","17:55:37",""
"1560310","10.6358","0.0004","9.5636","0.0004","10.4269","0.0004","90","","100.187","0.002","90","","1043.87","0.07","108","2","108","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","RM447","","","- C13 H11 N O2 -","- C13 H11 N O2 -","- C52 H44 N4 O8 -","4","1","","Mayer, Robert J.; Allihn, Patrick W. A.; Hampel, Nathalie; Mayer, Peter; Sieber, Stephan A.; Ofial, Armin R.","Electrophilic reactivities of cyclic enones and α,β-unsaturated lactones","Chemical Science","2021","12","13","4850","4865","10.1039/D0SC06628A","","","0.71073","MoKα","","0.0481","0.0401","","","0.0976","0.1025","","","","","","1.036","","","","has coordinates","265918","2021-06-05","17:55:37",""
"1560311","10.8844","0.0009","9.9707","0.0007","9.168","0.0007","90","","91.835","0.003","90","","994.45","0.13","102","2","102","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","RNH389f2","","","- C13 H11 N O -","- C13 H11 N O -","- C52 H44 N4 O4 -","4","1","","Mayer, Robert J.; Allihn, Patrick W. A.; Hampel, Nathalie; Mayer, Peter; Sieber, Stephan A.; Ofial, Armin R.","Electrophilic reactivities of cyclic enones and α,β-unsaturated lactones","Chemical Science","2021","12","13","4850","4865","10.1039/D0SC06628A","","","0.71073","MoKα","","0.0529","0.0415","","","0.1046","0.1163","","","","","","1.043","","","","has coordinates,has disorder","265918","2021-06-05","17:55:37",""
"1560312","11.6656","0.0004","9.4061","0.0004","10.7626","0.0005","90","","97.797","0.002","90","","1170.04","0.08","112","2","112","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","RNH142F1","","","- C14 H13 N O2 -","- C14 H13 N O2 -","- C56 H52 N4 O8 -","4","1","","Mayer, Robert J.; Allihn, Patrick W. A.; Hampel, Nathalie; Mayer, Peter; Sieber, Stephan A.; Ofial, Armin R.","Electrophilic reactivities of cyclic enones and α,β-unsaturated lactones","Chemical Science","2021","12","13","4850","4865","10.1039/D0SC06628A","","","0.71073","MoKα","","0.0622","0.0434","","","0.0933","0.1005","","","","","","1.032","","","","has coordinates","265918","2021-06-05","17:55:37",""
"1560313","21.9099","0.0011","6.5137","0.0004","14.4743","0.0008","90","","115.663","0.002","90","","1861.93","0.18","103","2","103","2","","","","","","","","4","C 1 2 1","C 2y","5","RNH378","","","- C23 H25 N O3 -","- C23 H25 N O3 -","- C92 H100 N4 O12 -","4","1","","Mayer, Robert J.; Allihn, Patrick W. A.; Hampel, Nathalie; Mayer, Peter; Sieber, Stephan A.; Ofial, Armin R.","Electrophilic reactivities of cyclic enones and α,β-unsaturated lactones","Chemical Science","2021","12","13","4850","4865","10.1039/D0SC06628A","","","0.71073","MoKα","","0.0489","0.0423","","","0.1005","0.1041","","","","","","1.07","","","","has coordinates","265918","2021-06-05","17:55:37",""
"1560314","7.3211","0.0002","7.9973","0.0002","8.7918","0.0003","69.178","0.001","74.117","0.001","83.714","0.001","462.72","0.02","103","2","103","2","","","","","","","","4","P -1","-P 1","2","RM445-4-8","","","- C10 H11 N S -","- C10 H11 N S -","- C20 H22 N2 S2 -","2","1","","Mayer, Robert J.; Allihn, Patrick W. A.; Hampel, Nathalie; Mayer, Peter; Sieber, Stephan A.; Ofial, Armin R.","Electrophilic reactivities of cyclic enones and α,β-unsaturated lactones","Chemical Science","2021","12","13","4850","4865","10.1039/D0SC06628A","","","0.71073","MoKα","","0.0299","0.0266","","","0.0679","0.0704","","","","","","1.065","","","","has coordinates","265918","2021-06-05","17:55:37",""
"1560315","12.1957","0.001","7.1469","0.0005","12.4085","0.0011","90","","105.197","0.003","90","","1043.72","0.15","103","2","103","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","RM444","","","- C13 H11 N O2 -","- C13 H11 N O2 -","- C52 H44 N4 O8 -","4","1","","Mayer, Robert J.; Allihn, Patrick W. A.; Hampel, Nathalie; Mayer, Peter; Sieber, Stephan A.; Ofial, Armin R.","Electrophilic reactivities of cyclic enones and α,β-unsaturated lactones","Chemical Science","2021","12","13","4850","4865","10.1039/D0SC06628A","","","0.71073","MoKα","","0.0615","0.0431","","","0.0969","0.1092","","","","","","1.054","","","","has coordinates","265918","2021-06-05","17:55:37",""
"1560367","9.4091","0.0012","15.768","0.003","25.766","0.005","90","","94.907","0.003","90","","3808.7","1.1","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H51 K Mn N3 O12 -","- C35 H51 K Mn N3 O12 -","- C140 H204 K4 Mn4 N12 O48 -","4","1","","Yang, Yong; Ertem, Mehmed Z.; Duan, Lele","An amide-based second coordination sphere promotes the dimer pathway of Mn-catalyzed CO2-to-CO reduction at low overpotential","Chemical Science","2021","12","13","4779","4788","10.1039/D0SC05679K","","x-ray","0.71073","MoKα","","0.1054","0.0845","","","0.2174","0.2382","","","","","","1.026","","","","has coordinates,has disorder","265921","2021-06-05","17:56:33",""
"1560368","10.5955","0.0004","10.5011","0.0004","15.0027","0.0006","90","","94.048","0.001","90","","1665.1","0.11","100","","100.03","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H13 Br Mn N3 O4 -","- C16 H13 Br Mn N3 O4 -","- C64 H52 Br4 Mn4 N12 O16 -","4","1","","Yang, Yong; Ertem, Mehmed Z.; Duan, Lele","An amide-based second coordination sphere promotes the dimer pathway of Mn-catalyzed CO2-to-CO reduction at low overpotential","Chemical Science","2021","12","13","4779","4788","10.1039/D0SC05679K","","x-ray","0.71073","MoKα","","0.0293","0.0227","","","0.0491","0.0515","","","","","","1.023","","","","has coordinates","265921","2021-06-05","17:56:33",""
"1560369","10.65","0.004","9.121","0.004","16.456","0.006","90","","100.266","0.012","90","","1572.9","1.1","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 Br Mn N3 O4 -","- C15 H11 Br Mn N3 O4 -","- C60 H44 Br4 Mn4 N12 O16 -","4","1","","Yang, Yong; Ertem, Mehmed Z.; Duan, Lele","An amide-based second coordination sphere promotes the dimer pathway of Mn-catalyzed CO2-to-CO reduction at low overpotential","Chemical Science","2021","12","13","4779","4788","10.1039/D0SC05679K","","x-ray","0.71073","MoKα","","0.0353","0.0287","","","0.0682","0.0709","","","","","","1.038","","","","has coordinates","265921","2021-06-05","17:56:34",""
"1560370","6.8601","0.0004","20.5081","0.0011","7.345","0.0004","90","","92.708","0.001","90","","1032.2","0.1","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H20 N2 O9 -","- C22 H20 N2 O9 -","- C44 H40 N4 O18 -","2","1","","Yang, Jinghui; Xia, Yan","Mechanochemical generation of acid-degradable poly(enol ether)s","Chemical Science","2021","12","12","4389","4394","10.1039/D1SC00001B","","x-ray","1.54178","CuKα","","0.0282","0.0281","","","0.0775","0.0776","","","","","","1.019","","","","has coordinates","263712","2021-04-05","14:29:25",""
"1560371","10.535","0.0008","6.4885","0.0005","18.7172","0.0017","90","","92.323","0.002","90","","1278.39","0.18","100","2","100","2","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C9 H15 B F4 N6 -","- C9 H15 B F4 N6 -","- C36 H60 B4 F16 N24 -","4","0.5","","Stubbe, Jessica; Suhr, Simon; Beerhues, Julia; Nößler, Maite; Sarkar, Biprajit","The transformations of a methylene-bridged bis-triazolium salt: a mesoionic carbene based metallocage and analogues of TCNE and NacNac","Chemical Science","2021","12","9","3170","3178","10.1039/D0SC06957D","","","0.71073","MoKα","","0.0844","0.0628","","","0.1506","0.1569","","","","","","1.574","","","","has coordinates","263694","2021-04-05","14:22:18",""
"1560372","7.1669","0.0008","9.7427","0.0014","11.6885","0.0015","90.304","0.004","91.835","0.006","105.407","0.004","786.33","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H16 B2 F8 N6 -","- C9 H16 B2 F8 N6 -","- C18 H32 B4 F16 N12 -","2","1","","Stubbe, Jessica; Suhr, Simon; Beerhues, Julia; Nößler, Maite; Sarkar, Biprajit","The transformations of a methylene-bridged bis-triazolium salt: a mesoionic carbene based metallocage and analogues of TCNE and NacNac","Chemical Science","2021","12","9","3170","3178","10.1039/D0SC06957D","","","0.71073","MoKα","","0.0418","0.0327","","","0.0779","0.0827","","","","","","1.018","","","","has coordinates","263694","2021-04-05","14:22:19",""
"1560373","10.15","0.02","11.83","0.03","15.93","0.04","97.92","0.09","92.65","0.07","102.91","0.07","1841","8","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H34 B4 F16 N14 -","- C22 H34 B4 F16 N14 -","- C44 H68 B8 F32 N28 -","2","1","","Stubbe, Jessica; Suhr, Simon; Beerhues, Julia; Nößler, Maite; Sarkar, Biprajit","The transformations of a methylene-bridged bis-triazolium salt: a mesoionic carbene based metallocage and analogues of TCNE and NacNac","Chemical Science","2021","12","9","3170","3178","10.1039/D0SC06957D","","","0.71073","MoKα","","0.0666","0.0465","","","0.1137","0.136","","","","","","1.1245","","","","has coordinates","263694","2021-04-05","14:22:19",""
"1560374","11.052","0.003","14.637","0.004","21.244","0.005","85.032","0.007","81.796","0.008","77.855","0.007","3319.6","1.5","100","2","100.02","","","","","","","","","6","P -1","-P 1","2","","","","- C42 H57 Ag4 B4 F15.987 N27 -","- C42 H57 Ag4 B4 F15.9867 N27 -","- C84 H114 Ag8 B8 F31.9733 N54 -","2","1","","Stubbe, Jessica; Suhr, Simon; Beerhues, Julia; Nößler, Maite; Sarkar, Biprajit","The transformations of a methylene-bridged bis-triazolium salt: a mesoionic carbene based metallocage and analogues of TCNE and NacNac","Chemical Science","2021","12","9","3170","3178","10.1039/D0SC06957D","","","0.71073","MoKα","","0.085","0.0571","","","0.1046","0.1146","","","","","","1.0461","","","","has coordinates,has disorder","263694","2021-04-05","14:22:19",""
"1560499","9.4132","0.0009","16.3463","0.0012","31.8","0.003","90","","91.407","0.003","90","","4891.6","0.7","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C57 H43 Cl3 N6 Ni -","- C57 H43 Cl3 N6 Ni -","- C228 H172 Cl12 N24 Ni4 -","4","1","","Abid, Seifallah; Gisbert, Yohan; Kojima, Mitsuru; Saffon-Merceron, Nathalie; Cuny, Jérôme; Kammerer, Claire; Rapenne, Gwénaël","Desymmetrised pentaporphyrinic gears mounted on metallo-organic anchors","Chemical Science","2021","12","13","4709","4721","10.1039/D0SC06379G","","","0.71073","MoKα","","0.1321","0.0667","","","0.1487","0.1852","","","","","","1.03","","","","has coordinates,has disorder","265917","2021-06-05","17:55:23",""
"1560500","16.1291","0.0006","19.1492","0.0007","24.8626","0.001","75.72","0.003","89.677","0.003","66.509","0.003","6787.8","0.5","193","2","193","2","","","","","","","","8","P -1","-P 1","2","","","","- C127 H101 B Br4 N12 Ni Ru S3 -","- C127 H101 B Br4 N12 Ni Ru S3 -","- C254 H202 B2 Br8 N24 Ni2 Ru2 S6 -","2","1","","Abid, Seifallah; Gisbert, Yohan; Kojima, Mitsuru; Saffon-Merceron, Nathalie; Cuny, Jérôme; Kammerer, Claire; Rapenne, Gwénaël","Desymmetrised pentaporphyrinic gears mounted on metallo-organic anchors","Chemical Science","2021","12","13","4709","4721","10.1039/D0SC06379G","","","1.54178","CuKα","","0.1019","0.0587","","","0.1477","0.1733","","","","","","0.976","","","","has coordinates,has disorder","265917","2021-06-05","17:55:24",""
"1560501","9.15691","0.00007","16.71291","0.00019","17.53844","0.00017","90","","90","","90","","2684.06","0.05","294.15","","294.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H36 Br O3 P -","- C28 H36 Br O3 P -","- C112 H144 Br4 O12 P4 -","4","1","","Huang, Qiu-Hong; Zhou, Qian-Yi; Yang, Chen; Chen, Li; Cheng, Jin-Pei; Li, Xin","Access to P-stereogenic compounds via desymmetrizing enantioselective bromination","Chemical Science","2021","12","12","4582","4587","10.1039/D0SC07008D","","x-ray","1.54184","CuKα","","0.0398","0.0381","","","0.1076","0.1094","","","","","","1.039","","","","has coordinates,has disorder","263708","2021-04-05","14:28:16",""
"1560502","8.9798","0.0001","11.0389","0.0001","17.2809","0.0001","90","","90","","90","","1713.01","0.03","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H20 O4 -","- C22 H20 O4 -","- C88 H80 O16 -","4","1","","Lu, Xiao-Long; Qiu, Yuanyou; Yang, Baochao; He, Haibing; Gao, Shuanhu","Asymmetric total synthesis of (+)-xestoquinone and (+)-adociaquinones A and B","Chemical Science","2021","12","13","4747","4752","10.1039/D0SC07089K","","","1.54184","CuKα","","0.0248","0.0246","","","0.064","0.0641","","","","","","1.092","","","","has coordinates","265920","2021-06-05","17:56:06",""
"1560503","9.1038","0.0003","11.1728","0.0004","17.3015","0.0006","90","","90","","90","","1759.82","0.11","295","2","295","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H20 O4 -","- C22 H20 O4 -","- C88 H80 O16 -","4","1","","Lu, Xiao-Long; Qiu, Yuanyou; Yang, Baochao; He, Haibing; Gao, Shuanhu","Asymmetric total synthesis of (+)-xestoquinone and (+)-adociaquinones A and B","Chemical Science","2021","12","13","4747","4752","10.1039/D0SC07089K","","","1.54178","CuKα","","0.0304","0.0296","","","0.0838","0.085","","","","","","1.01","","","","has coordinates","265920","2021-06-05","17:56:06",""
"1560504","7.4407","0.0001","11.6989","0.0001","28.3425","0.0002","90","","90","","90","","2467.16","0.04","169.99","0.1","169.99","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H32 Cl2 O5 -","- C26 H32 Cl2 O5 -","- C104 H128 Cl8 O20 -","4","1","","Lu, Xiao-Long; Qiu, Yuanyou; Yang, Baochao; He, Haibing; Gao, Shuanhu","Asymmetric total synthesis of (+)-xestoquinone and (+)-adociaquinones A and B","Chemical Science","2021","12","13","4747","4752","10.1039/D0SC07089K","","x-ray","1.54184","CuKα","","0.0289","0.0286","","","0.0746","0.0748","","","","","","1.074","","","","has coordinates","265920","2021-06-05","17:56:06",""
"1560527","11.3287","0.0004","11.3287","0.0004","29.3678","0.0014","90","","90","","120","","3264.1","0.2","173","2","173","2","","","","","","","","3","P 32 2 1","P 32 2""","154","","","","- C40 H52 B20 -","- C40 H52 B20 -","- C120 H156 B60 -","3","0.5","","Zhang, Jie; Xie, Zuowei","Tandem [4 + 2]/[2 + 2] cycloaddition of o-carboryne with enynes: facile construction of carborane-fused tricyclics","Chemical Science","2021","12","15","5616","5620","10.1039/D0SC07047E","","","0.71073","MoKα","","0.0555","0.0514","","","0.123","0.1259","","","","","","1.077","","","","has coordinates","265935","2021-06-05","18:02:40",""
"1560528","33.909","0.003","13.6784","0.0011","13.6791","0.0011","90","","108.58","0.002","90","","6014","0.9","294","2","294","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H38 B20 Cl2 -","- C18 H38 B20 Cl2 -","- C144 H304 B160 Cl16 -","8","1","","Zhang, Jie; Xie, Zuowei","Tandem [4 + 2]/[2 + 2] cycloaddition of o-carboryne with enynes: facile construction of carborane-fused tricyclics","Chemical Science","2021","12","15","5616","5620","10.1039/D0SC07047E","","","0.71073","MoKα","","0.1174","0.0692","","","0.1802","0.2243","","","","","","1.017","","","","has coordinates,has disorder","265935","2021-06-05","18:02:40",""
"1560529","11.7538","0.0005","12.8616","0.0006","21.8976","0.0009","90","","90","","90","","3310.3","0.2","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H46 B20 Cl2 -","- C22 H46 B20 Cl2 -","- C88 H184 B80 Cl8 -","4","1","","Zhang, Jie; Xie, Zuowei","Tandem [4 + 2]/[2 + 2] cycloaddition of o-carboryne with enynes: facile construction of carborane-fused tricyclics","Chemical Science","2021","12","15","5616","5620","10.1039/D0SC07047E","","","0.71073","MoKα","","0.0477","0.0378","","","0.1002","0.1081","","","","","","1.045","","","","has coordinates","265935","2021-06-05","18:02:40",""
"1560530","11.4361","0.0006","19.1205","0.001","21.4742","0.0009","90","","94.001","0.0014","90","","4684.2","0.4","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C44 H60 B20 -","- C44 H60 B20 -","- C176 H240 B80 -","4","1","","Zhang, Jie; Xie, Zuowei","Tandem [4 + 2]/[2 + 2] cycloaddition of o-carboryne with enynes: facile construction of carborane-fused tricyclics","Chemical Science","2021","12","15","5616","5620","10.1039/D0SC07047E","","","0.71073","MoKα","","0.067","0.0526","","","0.1472","0.1633","","","","","","1.04","","","","has coordinates","265935","2021-06-05","18:02:40",""
"1560531","13.3453","0.0007","16.5248","0.0007","18.4539","0.0009","82.5401","0.0013","78.3148","0.0014","83.5363","0.0014","3935.9","0.3","285","2","285","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H54.5 B20 O0.25 -","- C27 H54.5 B20 O0.25 -","- C108 H218 B80 O -","4","2","","Zhang, Jie; Xie, Zuowei","Tandem [4 + 2]/[2 + 2] cycloaddition of o-carboryne with enynes: facile construction of carborane-fused tricyclics","Chemical Science","2021","12","15","5616","5620","10.1039/D0SC07047E","","","0.71073","MoKα","","0.1066","0.0746","","","0.2134","0.245","","","","","","1.029","","","","has coordinates","265935","2021-06-05","18:02:40",""
"1560532","24.2513","0.001","10.403","0.0004","18.2107","0.0007","90","","120.094","0.0011","90","","3975","0.3","295","2","295","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C30 H60 B20 -","- C30 H60 B20 -","- C120 H240 B80 -","4","0.5","","Zhang, Jie; Xie, Zuowei","Tandem [4 + 2]/[2 + 2] cycloaddition of o-carboryne with enynes: facile construction of carborane-fused tricyclics","Chemical Science","2021","12","15","5616","5620","10.1039/D0SC07047E","","","0.71073","MoKα","","0.0945","0.0833","","","0.2454","0.2604","","","","","","1.046","","","","has coordinates","265935","2021-06-05","18:02:40",""
"1560533","10.3911","0.0005","13.0014","0.0006","24.381","0.0011","90","","90","","90","","3293.8","0.3","294","2","294","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H48 B20 -","- C22 H48 B20 -","- C88 H192 B80 -","4","1","","Zhang, Jie; Xie, Zuowei","Tandem [4 + 2]/[2 + 2] cycloaddition of o-carboryne with enynes: facile construction of carborane-fused tricyclics","Chemical Science","2021","12","15","5616","5620","10.1039/D0SC07047E","","","0.71073","MoKα","","0.0513","0.0437","","","0.1131","0.1194","","","","","","1.092","","","","has coordinates","265935","2021-06-05","18:02:40",""
"1560534","13.3754","0.0013","13.4901","0.0013","19.9071","0.0019","90","","91.104","0.003","90","","3591.3","0.6","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H56 B20 -","- C26 H56 B20 -","- C104 H224 B80 -","4","1","","Zhang, Jie; Xie, Zuowei","Tandem [4 + 2]/[2 + 2] cycloaddition of o-carboryne with enynes: facile construction of carborane-fused tricyclics","Chemical Science","2021","12","15","5616","5620","10.1039/D0SC07047E","","","0.71073","MoKα","","0.0864","0.0705","","","0.1674","0.1781","","","","","","1.114","","","","has coordinates","265935","2021-06-05","18:02:40",""
"1560535","13.2519","0.0006","11.98","0.0005","21.8685","0.001","90","","105.683","0.0014","90","","3342.5","0.3","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H54 B20 -","- C24 H54 B20 -","- C96 H216 B80 -","4","1","","Zhang, Jie; Xie, Zuowei","Tandem [4 + 2]/[2 + 2] cycloaddition of o-carboryne with enynes: facile construction of carborane-fused tricyclics","Chemical Science","2021","12","15","5616","5620","10.1039/D0SC07047E","","","0.71073","MoKα","","0.0877","0.0582","","","0.1492","0.1737","","","","","","1.037","","","","has coordinates","265935","2021-06-05","18:02:40",""
"1560536","11.326","0.002","12.468","0.002","15.493","0.003","108.096","0.005","95.522","0.005","104.001","0.005","1982.7","0.6","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H62 B20 Si2 -","- C26 H62 B20 Si2 -","- C52 H124 B40 Si4 -","2","1","","Zhang, Jie; Xie, Zuowei","Tandem [4 + 2]/[2 + 2] cycloaddition of o-carboryne with enynes: facile construction of carborane-fused tricyclics","Chemical Science","2021","12","15","5616","5620","10.1039/D0SC07047E","","","0.71073","MoKα","","0.1178","0.0914","","","0.2006","0.2156","","","","","","1.117","","","","has coordinates","265935","2021-06-05","18:02:40",""
"1560537","11.6972","0.0006","13.3199","0.0007","15.5282","0.0008","75.8963","0.0014","79.1092","0.0015","66.3809","0.0014","2138.51","0.19","294","2","294","2","","","","","","","","3","P -1","-P 1","2","","","","- C38 H59 B20 -","- C38 H59 B20 -","- C76 H118 B40 -","2","1","","Zhang, Jie; Xie, Zuowei","Tandem [4 + 2]/[2 + 2] cycloaddition of o-carboryne with enynes: facile construction of carborane-fused tricyclics","Chemical Science","2021","12","15","5616","5620","10.1039/D0SC07047E","","","0.71073","MoKα","","0.0661","0.0577","","","0.1624","0.174","","","","","","1.033","","","","has coordinates","265935","2021-06-05","18:02:40",""
"1560538","11.0591","0.0006","17.981","0.001","17.9274","0.0009","90","","92.3086","0.0015","90","","3562","0.3","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C27 H48 B20 -","- C27 H48 B20 -","- C108 H192 B80 -","4","1","","Zhang, Jie; Xie, Zuowei","Tandem [4 + 2]/[2 + 2] cycloaddition of o-carboryne with enynes: facile construction of carborane-fused tricyclics","Chemical Science","2021","12","15","5616","5620","10.1039/D0SC07047E","","","0.71073","MoKα","","0.1622","0.0929","","","0.2427","0.3175","","","","","","1.031","","","","has coordinates","265935","2021-06-05","18:02:40",""
"1560539","11.1066","0.0008","27.939","0.002","12.8423","0.0009","90","","90.244","0.002","90","","3985","0.5","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H30 B10 -","- C14 H30 B10 -","- C112 H240 B80 -","8","2","","Zhang, Jie; Xie, Zuowei","Tandem [4 + 2]/[2 + 2] cycloaddition of o-carboryne with enynes: facile construction of carborane-fused tricyclics","Chemical Science","2021","12","15","5616","5620","10.1039/D0SC07047E","","","0.71073","MoKα","","0.1124","0.0945","","","0.2125","0.2237","","","","","","1.166","","","","has coordinates","265935","2021-06-05","18:02:40",""
"1560599","25.7763","0.0005","25.7763","0.0005","17.9852","0.0004","90","","90","","120","","10348.7","0.4","149.99","0.14","149.99","0.14","","","","","","","","4","R -3 :H","-R 3","148","","","","- C30 H18 N4 S -","- C30 H18 N4 S -","- C540 H324 N72 S18 -","18","1","","Liu, Tiantian; Chen, Xiaojie; Zhao, Juan; Wei, Weichun; Mao, Zhu; Wu, William; Jiao, Shibo; Liu, Yang; Yang, Zhiyong; Chi, Zhenguo","Hybridized local and charge-transfer excited state fluorophores enabling organic light-emitting diodes with record high efficiencies close to 20%","Chemical Science","2021","12","14","5171","5176","10.1039/D1SC00272D","","x-ray","1.54184","CuKα","","0.0462","0.041","","","0.1044","0.1108","","","","","","1.032","","","","has coordinates","265925","2021-06-05","17:57:40",""
"1560600","10.6634","0.0007","10.9432","0.0006","18.341","0.001","88.604","0.005","83.994","0.005","82.942","0.005","2112.2","0.2","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C47 H52 Cl2 N4 S -","- C47 H52 Cl2 N4 S -","- C94 H104 Cl4 N8 S2 -","2","1","","Liu, Tiantian; Chen, Xiaojie; Zhao, Juan; Wei, Weichun; Mao, Zhu; Wu, William; Jiao, Shibo; Liu, Yang; Yang, Zhiyong; Chi, Zhenguo","Hybridized local and charge-transfer excited state fluorophores enabling organic light-emitting diodes with record high efficiencies close to 20%","Chemical Science","2021","12","14","5171","5176","10.1039/D1SC00272D","","x-ray","1.54184","CuKα","","0.0865","0.0664","","","0.1719","0.1938","","","","","","1.023","","","","has coordinates","265925","2021-06-05","17:57:41",""
"1560601","12.041","0.0011","15.9608","0.0015","16.4529","0.0014","114.757","0.004","104.294","0.004","93.279","0.005","2735.8","0.4","207","2","207","","","","","","","","","4","P -1","-P 1","2","","","","- C64 H72 N4 S -","- C64 H72 N4 S -","- C128 H144 N8 S2 -","2","1","","Liu, Tiantian; Chen, Xiaojie; Zhao, Juan; Wei, Weichun; Mao, Zhu; Wu, William; Jiao, Shibo; Liu, Yang; Yang, Zhiyong; Chi, Zhenguo","Hybridized local and charge-transfer excited state fluorophores enabling organic light-emitting diodes with record high efficiencies close to 20%","Chemical Science","2021","12","14","5171","5176","10.1039/D1SC00272D","","","0.71073","MoKα","","0.1862","0.1335","","","0.3389","0.3664","","","","","","1.041","","","","has coordinates","265925","2021-06-05","17:57:41",""
"1560602","9.9631","0.0003","9.1494","0.0002","13.3605","0.0004","90","","102.001","0.003","90","","1191.28","0.06","99.99","0.1","99.99","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H23 F O5 -","- C29 H23 F O5 -","- C58 H46 F2 O10 -","2","1","","Zheng, Haifeng; Wang, Rui; Wang, Kan; Wherritt, Daniel; Arman, Hadi; Doyle, Michael P.","Formal [4 + 4]-, [4 + 3]-, and [4 + 2]-cycloaddition reactions of donor‒acceptor cyclobutenes, cyclopropenes and siloxyalkynes induced by Brønsted acid catalysis","Chemical Science","2021","12","13","4819","4824","10.1039/D1SC00158B","","x-ray","1.54184","CuKα","","0.0508","0.0475","","","0.1143","0.1168","","","","","","1.022","","","","has coordinates","265916","2021-06-05","17:54:50",""
"1560603","7.3867","0.0002","19.0785","0.0005","9.3357","0.0002","90","","111.972","0.003","90","","1220.09","0.06","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H15 F O2 -","- C15 H15 F O2 -","- C60 H60 F4 O8 -","4","1","","Zheng, Haifeng; Wang, Rui; Wang, Kan; Wherritt, Daniel; Arman, Hadi; Doyle, Michael P.","Formal [4 + 4]-, [4 + 3]-, and [4 + 2]-cycloaddition reactions of donor‒acceptor cyclobutenes, cyclopropenes and siloxyalkynes induced by Brønsted acid catalysis","Chemical Science","2021","12","13","4819","4824","10.1039/D1SC00158B","","x-ray","1.54184","CuKα","","0.0467","0.0415","","","0.1056","0.1096","","","","","","1.091","","","","has coordinates","265916","2021-06-05","17:54:55",""
"1560604","12.28538","0.00014","20.3181","0.0002","8.91344","0.0001","90","","99.0372","0.0011","90","","2197.31","0.04","99.99","0.1","99.99","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 F N O4 -","- C28 H20 F N O4 -","- C112 H80 F4 N4 O16 -","4","1","","Zheng, Haifeng; Wang, Rui; Wang, Kan; Wherritt, Daniel; Arman, Hadi; Doyle, Michael P.","Formal [4 + 4]-, [4 + 3]-, and [4 + 2]-cycloaddition reactions of donor‒acceptor cyclobutenes, cyclopropenes and siloxyalkynes induced by Brønsted acid catalysis","Chemical Science","2021","12","13","4819","4824","10.1039/D1SC00158B","","x-ray","1.54184","CuKα","","0.0394","0.0356","","","0.0915","0.0947","","","","","","1.057","","","","has coordinates","265916","2021-06-05","17:55:06",""
"1560621","9.2156","0.0002","20.0257","0.0006","21.5606","0.0006","114.68","0.003","94.469","0.002","98.787","0.002","3528.32","0.19","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C56.08 H50 Cl12.16 N4 Ni Sb -","- C56.054 H50 Cl12.105 N4 Ni Sb0.9995 -","- C112.108 H100 Cl24.21 N8 Ni2 Sb1.999 -","2","1","","Miyagawa, Kazuya; Hisaki, Ichiro; Fukui, Norihito; Shinokubo, Hiroshi","Redox-induced reversible [2 + 2] cycloaddition of an etheno-fused diporphyrin","Chemical Science","2021","12","14","5224","5229","10.1039/D1SC00438G","","","0.71075","MoKα","","0.2397","0.1965","","","0.5232","0.5915","","","","","","1.104","","","","has coordinates,has disorder","265922","2021-06-05","17:56:46",""
"1560622","21.0654","0.0006","22.4572","0.0006","25.0542","0.0007","104.279","0.002","98.423","0.002","111.649","0.002","10298.3","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C254 H248 N16 Ni4 -","- C254 H248 N16 Ni4 -","- C508 H496 N32 Ni8 -","2","1","","Miyagawa, Kazuya; Hisaki, Ichiro; Fukui, Norihito; Shinokubo, Hiroshi","Redox-induced reversible [2 + 2] cycloaddition of an etheno-fused diporphyrin","Chemical Science","2021","12","14","5224","5229","10.1039/D1SC00438G","","","0.81104","synchrotron","","0.1376","0.0926","","","0.2561","0.2855","","","","","","1.061","","","","has coordinates","265922","2021-06-05","17:56:46",""
"1560717","14.8018","0.0004","16.4349","0.0004","19.1348","0.0005","90","","102.494","0.001","90","","4544.6","0.2","100","1","100","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17.5 H29 N9 Ni O0.5 S2 -","- C17.5 H29 N9 Ni O0.5 S2 -","- C140 H232 N72 Ni8 O4 S16 -","8","2","","Rubín-Osanz, Marcos; Lambert, François; Shao, Feng; Rivière, Eric; Guillot, Régis; Suaud, Nicolas; Guihéry, Nathalie; Zueco, David; Barra, Anne-Laure; Mallah, Talal; Luis, Fernando","Chemical tuning of spin clock transitions in molecular monomers based on nuclear spin-free Ni(ii)","Chemical Science","2021","12","14","5123","5133","10.1039/D0SC05856D","","","0.71073","MoKα","","0.0487","0.0368","","","0.0975","0.1085","","","","","","1.06","","","","has coordinates","275434","2022-05-16","05:31:58",""
"1560718","10.2559","0.0003","15.7584","0.0005","16.1989","0.0006","67.534","0.001","71.56","0.001","75.75","0.001","2271.55","0.13","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H38 Cl6 N8 S6 -","- C38 H38 Cl6 N8 S6 -","- C76 H76 Cl12 N16 S12 -","2","1","","Ding, Yanjun; Alimi, Lukman O.; Moosa, Basem; Maaliki, Carine; Jacquemin, Johan; Huang, Feihe; Khashab, Niveen M.","Selective adsorptive separation of cyclohexane over benzene using thienothiophene cages","Chemical Science","2021","12","14","5315","5318","10.1039/D1SC00440A","","","1.54178","CuKα","","0.0533","0.0505","","","0.139","0.1418","","","","","","1.064","","","","has coordinates","265924","2021-06-05","17:57:18",""
"1560719","12.8314","0.0003","15.7916","0.0003","21.178","0.0005","90","","92.517","0.001","90","","4287.12","0.16","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C45 H45 N8 S6 -","- C45 H45 N8 S6 -","- C180 H180 N32 S24 -","4","1","","Ding, Yanjun; Alimi, Lukman O.; Moosa, Basem; Maaliki, Carine; Jacquemin, Johan; Huang, Feihe; Khashab, Niveen M.","Selective adsorptive separation of cyclohexane over benzene using thienothiophene cages","Chemical Science","2021","12","14","5315","5318","10.1039/D1SC00440A","","","1.54178","CuKα","","0.0441","0.0341","","","0.0693","0.0758","","","","","","1.045","","","","has coordinates","265924","2021-06-05","17:57:18",""
"1560720","14.1011","0.0009","14.1412","0.0008","41.847","0.003","90","","90","","90","","8344.6","0.9","120.72","","120.72","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C42 H48 N8 S6 -","- C42 H48 N8 S6 -","- C336 H384 N64 S48 -","8","2","","Ding, Yanjun; Alimi, Lukman O.; Moosa, Basem; Maaliki, Carine; Jacquemin, Johan; Huang, Feihe; Khashab, Niveen M.","Selective adsorptive separation of cyclohexane over benzene using thienothiophene cages","Chemical Science","2021","12","14","5315","5318","10.1039/D1SC00440A","","","1.54178","CuKα","","0.0839","0.0699","","","0.1598","0.1666","","","","","","1.027","","","","has coordinates","275856","2022-06-07","07:08:28",""
"1560726","9.1493","0.0014","10.1833","0.0015","13.22","0.002","90","","108.244","0.003","90","","1169.8","0.3","100","2","99.98","","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","bis(N,N-dimetylformamide)-perchlorato sodium","","- C6 H14 Cl N2 Na O6 -","- C6 H14 Cl N2 Na O6 -","- C24 H56 Cl4 N8 Na4 O24 -","4","1","","Prakash, Prabhat; Ardhra, Shylendran; Fall, Birane; Zdilla, Michael J.; Wunder, Stephanie L.; Venkatnathan, Arun","Solvate sponge crystals of (DMF)3NaClO4: reversible pressure/temperature controlled juicing in a melt/press-castable sodium-ion conductor","Chemical Science","2021","12","15","5574","5581","10.1039/D0SC06455F","","","0.71073","MoKα","","0.0414","0.032","","","0.0816","0.0869","","","","","","1.059","","","","has coordinates","265934","2021-06-05","18:01:53",""
"1560727","31.1965","0.0006","18.5947","0.0003","28.7563","0.0006","90","","110.013","0.002","90","","15673.9","0.5","100","2","100","0.1","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C130 H93 Br4 Co F12 N27 Ni4 O12 S4 -","- C130 H93 Br4 Co F12 N27 Ni4 O12 S4 -","- C520 H372 Br16 Co4 F48 N108 Ni16 O48 S16 -","4","1","","Scott, Aaron J.; Vallejo, Julia; Sarkar, Arup; Smythe, Lucy; Regincós Martí, E.; Nichol, Gary S.; Klooster, Wim T.; Coles, Simon J.; Murrie, Mark; Rajaraman, Gopalan; Piligkos, Stergios; Lusby, Paul J.; Brechin, Euan K.","Exploiting host‒guest chemistry to manipulate magnetic interactions in metallosupramolecular M4L6 tetrahedral cages","Chemical Science","2021","12","14","5134","5142","10.1039/D1SC00647A","","x-ray","0.71075","MoKα","","0.112","0.0744","","","0.1485","0.1673","","","","","","1.025","","","","has coordinates","265928","2021-06-05","17:59:51",""
"1560728","31.8614","0.0003","20.267","0.0002","26.4739","0.0003","90","","114.773","0.001","90","","15521.9","0.3","100","","100","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C154 H126 Cl4 F18 N38 Ni5 O18 S6 -","- C138 H102 Cl4 F18 N30 Ni5 O18 S6 -","- C552 H408 Cl16 F72 N120 Ni20 O72 S24 -","4","0.5","","Scott, Aaron J.; Vallejo, Julia; Sarkar, Arup; Smythe, Lucy; Regincós Martí, E.; Nichol, Gary S.; Klooster, Wim T.; Coles, Simon J.; Murrie, Mark; Rajaraman, Gopalan; Piligkos, Stergios; Lusby, Paul J.; Brechin, Euan K.","Exploiting host‒guest chemistry to manipulate magnetic interactions in metallosupramolecular M4L6 tetrahedral cages","Chemical Science","2021","12","14","5134","5142","10.1039/D1SC00647A","","","0.6889","","","0.1396","0.1274","","","0.368","0.3778","","","","","","3.07","","","","has coordinates","265928","2021-06-05","17:59:51",""
"1560729","32.5915","0.0013","19.6893","0.0007","26.8651","0.0012","90","","116.807","0.003","90","","15386.7","1.1","100","","100","","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C126 H84 Cl4 F18 Mn N24 Ni4 O18 S6 -","- C126 H84 Cl4 F18 Mn N24 Ni4 O18 S6 -","- C504 H336 Cl16 F72 Mn4 N96 Ni16 O72 S24 -","4","0.5","","Scott, Aaron J.; Vallejo, Julia; Sarkar, Arup; Smythe, Lucy; Regincós Martí, E.; Nichol, Gary S.; Klooster, Wim T.; Coles, Simon J.; Murrie, Mark; Rajaraman, Gopalan; Piligkos, Stergios; Lusby, Paul J.; Brechin, Euan K.","Exploiting host‒guest chemistry to manipulate magnetic interactions in metallosupramolecular M4L6 tetrahedral cages","Chemical Science","2021","12","14","5134","5142","10.1039/D1SC00647A","","","0.6889","","","0.2527","0.2397","","","0.5481","0.566","","","","","","5.029","","","","has coordinates","265928","2021-06-05","17:59:51",""
"1560730","31.3026","0.0003","20.566","0.0002","26.4213","0.0003","90","","112.812","0.001","90","","15678.8","0.3","120","","120","","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C147.5 H124 Br2 F24 Fe0.5 N24 Ni4 O29 S7.5 -","- C147.5 H124 Br2 F24 Fe0.5 N24 Ni4 O29 S7.5 -","- C590 H496 Br8 F96 Fe2 N96 Ni16 O116 S30 -","4","0.5","","Scott, Aaron J.; Vallejo, Julia; Sarkar, Arup; Smythe, Lucy; Regincós Martí, E.; Nichol, Gary S.; Klooster, Wim T.; Coles, Simon J.; Murrie, Mark; Rajaraman, Gopalan; Piligkos, Stergios; Lusby, Paul J.; Brechin, Euan K.","Exploiting host‒guest chemistry to manipulate magnetic interactions in metallosupramolecular M4L6 tetrahedral cages","Chemical Science","2021","12","14","5134","5142","10.1039/D1SC00647A","","x-ray","0.71073","MoKα","","0.082","0.0729","","","0.2032","0.2106","","","","","","1.068","","","","has coordinates,has disorder","265928","2021-06-05","17:59:51",""
"1560731","33.6581","0.0008","19.3004","0.0005","27.7984","0.0009","90","","119.638","0.002","90","","15695.6","0.8","120","","120","","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C126 H84 Br4 Cu F18 N24 Ni4 O18 S6 -","- C126 H84 Br4 Cu F18 N24 Ni4 O18 S6 -","- C504 H336 Br16 Cu4 F72 N96 Ni16 O72 S24 -","4","0.5","","Scott, Aaron J.; Vallejo, Julia; Sarkar, Arup; Smythe, Lucy; Regincós Martí, E.; Nichol, Gary S.; Klooster, Wim T.; Coles, Simon J.; Murrie, Mark; Rajaraman, Gopalan; Piligkos, Stergios; Lusby, Paul J.; Brechin, Euan K.","Exploiting host‒guest chemistry to manipulate magnetic interactions in metallosupramolecular M4L6 tetrahedral cages","Chemical Science","2021","12","14","5134","5142","10.1039/D1SC00647A","","","0.6889","","","0.1669","0.1602","","","0.4648","0.478","","","","","","2.397","","","","has coordinates","265928","2021-06-05","17:59:51",""
"1560732","31.7631","0.0004","20.376","0.0003","26.2656","0.0004","90","","114.263","0.0018","90","","15497.7","0.4","120.01","0.1","120.01","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C132 H88 F24 N26 Ni4 O24 S8 -","- C132 H90 F24 N26 Ni4 O24 S8 -","- C528 H360 F96 N104 Ni16 O96 S32 -","4","0.5","","Scott, Aaron J.; Vallejo, Julia; Sarkar, Arup; Smythe, Lucy; Regincós Martí, E.; Nichol, Gary S.; Klooster, Wim T.; Coles, Simon J.; Murrie, Mark; Rajaraman, Gopalan; Piligkos, Stergios; Lusby, Paul J.; Brechin, Euan K.","Exploiting host‒guest chemistry to manipulate magnetic interactions in metallosupramolecular M4L6 tetrahedral cages","Chemical Science","2021","12","14","5134","5142","10.1039/D1SC00647A","","x-ray","1.54184","CuKα","","0.1329","0.1227","","","0.3605","0.3786","","","","","","1.696","","","","has coordinates,has disorder","265928","2021-06-05","17:59:51",""
"1560733","31.6627","0.0005","20.3859","0.0002","26.5585","0.0004","90","","114.491","0.002","90","","15600.4","0.4","120","","120","","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C151 H120 Cl4 F21 Fe N36 Ni4 O21 S7 -","- C131 H90 Cl4 F21 Fe N26 Ni4 O21 S7 -","- C524 H360 Cl16 F84 Fe4 N104 Ni16 O84 S28 -","4","0.5","","Scott, Aaron J.; Vallejo, Julia; Sarkar, Arup; Smythe, Lucy; Regincós Martí, E.; Nichol, Gary S.; Klooster, Wim T.; Coles, Simon J.; Murrie, Mark; Rajaraman, Gopalan; Piligkos, Stergios; Lusby, Paul J.; Brechin, Euan K.","Exploiting host‒guest chemistry to manipulate magnetic interactions in metallosupramolecular M4L6 tetrahedral cages","Chemical Science","2021","12","14","5134","5142","10.1039/D1SC00647A","","x-ray","0.71073","MoKα","","0.0749","0.0655","","","0.1774","0.1864","","","","","","1.042","","","","has coordinates","265928","2021-06-05","17:59:51",""
"1560734","20.4016","0.0003","29.7181","0.0006","26.8106","0.0006","90","","91.1568","0.0018","90","","16251.9","0.5","250","0.1","250","0.1","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C138 H105 Cl4 Co F18 N28 Ni4 O19 S6 -","- C138 H104 Cl4 Co F18 N28 Ni4 O19 S6 -","- C552 H416 Cl16 Co4 F72 N112 Ni16 O76 S24 -","4","1","","Scott, Aaron J.; Vallejo, Julia; Sarkar, Arup; Smythe, Lucy; Regincós Martí, E.; Nichol, Gary S.; Klooster, Wim T.; Coles, Simon J.; Murrie, Mark; Rajaraman, Gopalan; Piligkos, Stergios; Lusby, Paul J.; Brechin, Euan K.","Exploiting host‒guest chemistry to manipulate magnetic interactions in metallosupramolecular M4L6 tetrahedral cages","Chemical Science","2021","12","14","5134","5142","10.1039/D1SC00647A","","x-ray","1.54184","CuKα","","0.1392","0.1312","","","0.3722","0.3828","","","","","","1.712","","","","has coordinates","265928","2021-06-05","17:59:51",""
"1560749","11.2686","0.0006","12.7447","0.0003","21.7296","0.0012","89.265","0.003","88.319","0.004","83.122","0.003","3096.8","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C68 H65 Dy O P4 S4 -","- C68 H65 Dy O P4 S4 -","- C136 H130 Dy2 O2 P8 S8 -","2","1","","Thomas-Hargreaves, Lewis R.; Giansiracusa, Marcus J.; Gregson, Matthew; Zanda, Emanuele; O'Donnell, Felix; Wooles, Ashley J.; Chilton, Nicholas F.; Liddle, Stephen T.","Correlating axial and equatorial ligand field effects to the single-molecule magnet performances of a family of dysprosium bis-methanediide complexes","Chemical Science","2021","12","11","3911","3920","10.1039/D1SC00238D","","x-ray","0.71073","MoKα","","0.0764","0.055","","","0.1124","0.1212","","","","","","1.034","","","","has coordinates","263703","2021-04-05","14:27:31",""
"1560750","10.8536","0.0006","22.5853","0.001","21.0093","0.0011","90","","99.013","0.006","90","","5086.5","0.5","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H49 O P4 S4 Y -","- C54 H49 O P4 S4 Y -","- C216 H196 O4 P16 S16 Y4 -","4","1","","Thomas-Hargreaves, Lewis R.; Giansiracusa, Marcus J.; Gregson, Matthew; Zanda, Emanuele; O'Donnell, Felix; Wooles, Ashley J.; Chilton, Nicholas F.; Liddle, Stephen T.","Correlating axial and equatorial ligand field effects to the single-molecule magnet performances of a family of dysprosium bis-methanediide complexes","Chemical Science","2021","12","11","3911","3920","10.1039/D1SC00238D","","x-ray","0.71073","MoKα","","0.1213","0.0705","","","0.0968","0.1114","","","","","","1.032","","","","has coordinates","263703","2021-04-05","14:27:32",""
"1560751","13.521","0.0002","20.9074","0.0003","22.2017","0.0003","71.645","0.001","79.408","0.001","84.373","0.001","5849.94","0.15","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C116 H120 Dy2 K2 O8 P8 S8 -","- C116 H120 Dy2 K2 O8 P8 S8 -","- C232 H240 Dy4 K4 O16 P16 S16 -","2","1","","Thomas-Hargreaves, Lewis R.; Giansiracusa, Marcus J.; Gregson, Matthew; Zanda, Emanuele; O'Donnell, Felix; Wooles, Ashley J.; Chilton, Nicholas F.; Liddle, Stephen T.","Correlating axial and equatorial ligand field effects to the single-molecule magnet performances of a family of dysprosium bis-methanediide complexes","Chemical Science","2021","12","11","3911","3920","10.1039/D1SC00238D","","x-ray","1.54184","CuKα","","0.1011","0.0857","","","0.2275","0.2482","","","","","","1.065","","","","has coordinates","263703","2021-04-05","14:27:32",""
"1560752","11.9072","0.0004","12.5346","0.0005","26.216","0.0011","81.43","0.003","83.556","0.003","84.318","0.003","3831.2","0.3","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C76 H92 K N2 O8 P4 S4 Y -","- C76 H92 K N2 O8 P4 S4 Y -","- C152 H184 K2 N4 O16 P8 S8 Y2 -","2","1","","Thomas-Hargreaves, Lewis R.; Giansiracusa, Marcus J.; Gregson, Matthew; Zanda, Emanuele; O'Donnell, Felix; Wooles, Ashley J.; Chilton, Nicholas F.; Liddle, Stephen T.","Correlating axial and equatorial ligand field effects to the single-molecule magnet performances of a family of dysprosium bis-methanediide complexes","Chemical Science","2021","12","11","3911","3920","10.1039/D1SC00238D","","x-ray","0.71073","MoKα","","0.111","0.0772","","","0.2023","0.2608","","","","","","1.026","","","","has coordinates,has disorder","263703","2021-04-05","14:27:32",""
"1560753","13.4728","0.0004","20.8633","0.0005","22.1735","0.0004","71.523","0.002","79.315","0.002","84.386","0.002","5803.8","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C116 H120 K2 O8 P8 S8 Y2 -","- C116 H120 K2 O8 P8 S8 Y2 -","- C232 H240 K4 O16 P16 S16 Y4 -","2","1","","Thomas-Hargreaves, Lewis R.; Giansiracusa, Marcus J.; Gregson, Matthew; Zanda, Emanuele; O'Donnell, Felix; Wooles, Ashley J.; Chilton, Nicholas F.; Liddle, Stephen T.","Correlating axial and equatorial ligand field effects to the single-molecule magnet performances of a family of dysprosium bis-methanediide complexes","Chemical Science","2021","12","11","3911","3920","10.1039/D1SC00238D","","x-ray","0.71073","MoKα","","0.1035","0.0682","","","0.1374","0.1486","","","","","","1.064","","","","has coordinates","263703","2021-04-05","14:27:32",""
"1560754","13.23949","0.00014","23.5137","0.0003","30.0645","0.0004","90","","97.5329","0.0011","90","","9278.6","0.2","120","2","120","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C93 H116 Dy K N4 O7 P4 Si4 -","- C93 H116 Dy K N4 O7 P4 Si4 -","- C372 H464 Dy4 K4 N16 O28 P16 Si16 -","4","1","","Thomas-Hargreaves, Lewis R.; Giansiracusa, Marcus J.; Gregson, Matthew; Zanda, Emanuele; O'Donnell, Felix; Wooles, Ashley J.; Chilton, Nicholas F.; Liddle, Stephen T.","Correlating axial and equatorial ligand field effects to the single-molecule magnet performances of a family of dysprosium bis-methanediide complexes","Chemical Science","2021","12","11","3911","3920","10.1039/D1SC00238D","","x-ray","1.54184","CuKα","","0.0523","0.0484","","","0.1279","0.1329","","","","","","1.035","","","","has coordinates","263703","2021-04-05","14:27:32",""
"1560755","14.1523","0.0004","30.8391","0.0009","15.6028","0.0005","90","","110.56","0.004","90","","6376","0.4","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C62 H70 Dy Na O6 P4 S4 -","- C62 H70 Dy Na O6 P4 S4 -","- C248 H280 Dy4 Na4 O24 P16 S16 -","4","1","","Thomas-Hargreaves, Lewis R.; Giansiracusa, Marcus J.; Gregson, Matthew; Zanda, Emanuele; O'Donnell, Felix; Wooles, Ashley J.; Chilton, Nicholas F.; Liddle, Stephen T.","Correlating axial and equatorial ligand field effects to the single-molecule magnet performances of a family of dysprosium bis-methanediide complexes","Chemical Science","2021","12","11","3911","3920","10.1039/D1SC00238D","","x-ray","0.71073","MoKα","","0.0742","0.0459","","","0.0637","0.0709","","","","","","1.024","","","","has coordinates","263703","2021-04-05","14:27:32",""
"1560756","14.1998","0.0004","30.9404","0.0006","15.6211","0.0005","90","","110.508","0.003","90","","6428.1","0.3","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C62 H70 Gd Na O6 P4 S4 -","- C62 H70 Gd Na O6 P4 S4 -","- C248 H280 Gd4 Na4 O24 P16 S16 -","4","1","","Thomas-Hargreaves, Lewis R.; Giansiracusa, Marcus J.; Gregson, Matthew; Zanda, Emanuele; O'Donnell, Felix; Wooles, Ashley J.; Chilton, Nicholas F.; Liddle, Stephen T.","Correlating axial and equatorial ligand field effects to the single-molecule magnet performances of a family of dysprosium bis-methanediide complexes","Chemical Science","2021","12","11","3911","3920","10.1039/D1SC00238D","","x-ray","0.71073","MoKα","","0.1113","0.0589","","","0.1265","0.152","","","","","","1.023","","","","has coordinates","263703","2021-04-05","14:27:32",""
"1560757","15.0677","0.0003","15.8625","0.0004","17.3285","0.0003","97.435","0.002","91.979","0.002","116.19","0.002","3665.66","0.15","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C72 H84 Dy K N2 O7 P4 S4 -","- C72 H84 Dy K N2 O7 P4 S4 -","- C144 H168 Dy2 K2 N4 O14 P8 S8 -","2","1","","Thomas-Hargreaves, Lewis R.; Giansiracusa, Marcus J.; Gregson, Matthew; Zanda, Emanuele; O'Donnell, Felix; Wooles, Ashley J.; Chilton, Nicholas F.; Liddle, Stephen T.","Correlating axial and equatorial ligand field effects to the single-molecule magnet performances of a family of dysprosium bis-methanediide complexes","Chemical Science","2021","12","11","3911","3920","10.1039/D1SC00238D","","x-ray","0.71073","MoKα","","0.0418","0.0377","","","0.1013","0.103","","","","","","1.075","","","","has coordinates","263703","2021-04-05","14:27:32",""
"1560758","14.155","0.0004","30.9664","0.0006","15.632","0.0005","90","","110.731","0.003","90","","6408.3","0.3","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C62 H70 Na O6 P4 S4 Y -","- C62 H70 Na O6 P4 S4 Y -","- C248 H280 Na4 O24 P16 S16 Y4 -","4","1","","Thomas-Hargreaves, Lewis R.; Giansiracusa, Marcus J.; Gregson, Matthew; Zanda, Emanuele; O'Donnell, Felix; Wooles, Ashley J.; Chilton, Nicholas F.; Liddle, Stephen T.","Correlating axial and equatorial ligand field effects to the single-molecule magnet performances of a family of dysprosium bis-methanediide complexes","Chemical Science","2021","12","11","3911","3920","10.1039/D1SC00238D","","x-ray","0.71073","MoKα","","0.1099","0.0588","","","0.0934","0.1104","","","","","","1.034","","","","has coordinates","263703","2021-04-05","14:27:32",""
"1560759","17.9432","0.0006","15.8649","0.0005","21.6563","0.0007","90","","114.273","0.001","90","","5619.8","0.3","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","AR89","","","- C26 H24 F6 N2 O6 Pd2 -","- C26 H24 F6 N2 O6 Pd2 -","- C208 H192 F48 N16 O48 Pd16 -","8","2","","Tóth, Balázs L.; Monory, Anna; Egyed, Orsolya; Domján, Attila; Bényei, Attila; Szathury, Bálint; Novák, Zoltán; Stirling, András","The ortho effect in directed C‒H activation","Chemical Science","2021","12","14","5152","5163","10.1039/D1SC00642H","","","0.71073","MoKα","","0.0791","0.0519","","","0.1173","0.1337","","","","","","1.06","","","","has coordinates","265927","2021-06-05","17:58:20",""
"1560760","37.712","0.006","13.024","0.002","15.254","0.003","90","","90","","90","","7492","2","298","2","298","2","","","","","","","","6","F d d 2","F 2 -2d","43","MA28","","","- C35 H30 F6 N2 O7 Pd2 -","- C35 H30 F6 N2 O7 Pd2 -","- C280 H240 F48 N16 O56 Pd16 -","8","0.5","","Tóth, Balázs L.; Monory, Anna; Egyed, Orsolya; Domján, Attila; Bényei, Attila; Szathury, Bálint; Novák, Zoltán; Stirling, András","The ortho effect in directed C‒H activation","Chemical Science","2021","12","14","5152","5163","10.1039/D1SC00642H","","","0.71073","MoKα","","0.1065","0.0512","","","0.1106","0.1377","","","","","","1.099","","","","has coordinates","265927","2021-06-05","17:58:20",""
"1560761","19.2535","0.0007","8.0799","0.0004","21.9245","0.001","90","","93.765","0.002","90","","3403.4","0.3","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","MA3","","","- C33 H26 F6 N2 O7 Pd2 -","- C33 H26 F6 N2 O7 Pd2 -","- C132 H104 F24 N8 O28 Pd8 -","4","1","","Tóth, Balázs L.; Monory, Anna; Egyed, Orsolya; Domján, Attila; Bényei, Attila; Szathury, Bálint; Novák, Zoltán; Stirling, András","The ortho effect in directed C‒H activation","Chemical Science","2021","12","14","5152","5163","10.1039/D1SC00642H","","","0.71073","MoKα","","0.0609","0.0509","","","0.1253","0.1322","","","","","","1.124","","","","has coordinates","265927","2021-06-05","17:58:20",""
"1560762","32.598","0.004","12.5843","0.0011","22.685","0.003","90","","128.447","0.003","90","","7288.2","1.5","295","0.1","295","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","MA7","","","- C34 H26 F6 N2 O8 Pd2 -","- C34 H26 F6 N2 O8 Pd2 -","- C272 H208 F48 N16 O64 Pd16 -","8","1","","Tóth, Balázs L.; Monory, Anna; Egyed, Orsolya; Domján, Attila; Bényei, Attila; Szathury, Bálint; Novák, Zoltán; Stirling, András","The ortho effect in directed C‒H activation","Chemical Science","2021","12","14","5152","5163","10.1039/D1SC00642H","","","0.71073","MoKα","","0.1101","0.0677","","","0.1853","0.224","","","","","","1.047","","","","has coordinates","265927","2021-06-05","17:58:20",""
"1560763","37.337","0.011","13.419","0.004","15.197","0.005","90","","90","","90","","7614","4","299","0.1","299","0.1","","","","","","","","6","F d d 2","F 2 -2d","43","MA34","","","- C37 H34 F6 N2 O7 Pd2 -","- C37 H34 F6 N2 O7 Pd2 -","- C296 H272 F48 N16 O56 Pd16 -","8","0.5","","Tóth, Balázs L.; Monory, Anna; Egyed, Orsolya; Domján, Attila; Bényei, Attila; Szathury, Bálint; Novák, Zoltán; Stirling, András","The ortho effect in directed C‒H activation","Chemical Science","2021","12","14","5152","5163","10.1039/D1SC00642H","","","0.71073","MoKα","","0.1352","0.056","","","0.1243","0.1726","","","","","","1.025","","","","has coordinates","265927","2021-06-05","17:58:20",""
"1560764","20.9754","0.0008","13.1973","0.0006","15.3039","0.0011","90","","125.008","0.001","90","","3469.9","0.3","295","0.1","295","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","MA15","","","- C17 H14 F3 N O4 Pd -","- C17 H14 F3 N O4 Pd -","- C136 H112 F24 N8 O32 Pd8 -","8","1","","Tóth, Balázs L.; Monory, Anna; Egyed, Orsolya; Domján, Attila; Bényei, Attila; Szathury, Bálint; Novák, Zoltán; Stirling, András","The ortho effect in directed C‒H activation","Chemical Science","2021","12","14","5152","5163","10.1039/D1SC00642H","","","0.71073","MoKα","","0.0978","0.0504","","","0.0826","0.0952","","","","","","1.041","","","","has coordinates","265927","2021-06-05","17:58:20",""
"1560765","13.9636","0.0012","12.6503","0.0011","17.3356","0.0013","90","","103.979","0.003","90","","2971.5","0.4","150","","150","","","","","","","","synthesis as described","3","P 1 21/c 1","-P 2ybc","14","","","","- C42 H26 N2 -","- C42 H26 N2 -","- C168 H104 N8 -","4","1","","Dhbaibi, Kais; Abella, Laura; Meunier-Della-Gatta, Sylvia; Roisnel, Thierry; Vanthuyne, Nicolas; Jamoussi, Bassem; Pieters, Grégory; Racine, Benoît; Quesnel, Etienne; Autschbach, Jochen; Crassous, Jeanne; Favereau, Ludovic","Achieving high circularly polarized luminescence with push‒pull helicenic systems: from rationalized design to top-emission CP-OLED applications","Chemical Science","2021","12","15","5522","5533","10.1039/D0SC06895K","","x-ray","0.71073","MoKα","","0.0696","0.0494","","","0.1254","0.1429","","","","","","0.986","","","","has coordinates","265931","2021-06-05","18:00:32",""
"1560766","18.9074","0.0008","9.4843","0.0005","18.9118","0.0009","90","","97.294","0.002","90","","3363.9","0.3","150","","150","","","","","","","","synthesis as described","4","C 1 2/c 1","-C 2yc","15","","","","- C42 H22 N2 O4 -","- C42 H22 N2 O4 -","- C168 H88 N8 O16 -","4","0.5","","Dhbaibi, Kais; Abella, Laura; Meunier-Della-Gatta, Sylvia; Roisnel, Thierry; Vanthuyne, Nicolas; Jamoussi, Bassem; Pieters, Grégory; Racine, Benoît; Quesnel, Etienne; Autschbach, Jochen; Crassous, Jeanne; Favereau, Ludovic","Achieving high circularly polarized luminescence with push‒pull helicenic systems: from rationalized design to top-emission CP-OLED applications","Chemical Science","2021","12","15","5522","5533","10.1039/D0SC06895K","","x-ray","0.71073","MoKα","","0.0809","0.063","","","0.175","0.1921","","","","","","0.999","","","","has coordinates","265931","2021-06-05","18:00:33",""
"1560767","14.6129","0.0006","14.6129","","29.4748","0.0015","90","","90","","90","","6294","0.4","150","","150","","","","","","","","synthesis as described","3","P 41 21 2","P 4abw 2nw","92","","","","- C44 H22 N2 -","- C44 H22 N2 -","- C352 H176 N16 -","8","1","","Dhbaibi, Kais; Abella, Laura; Meunier-Della-Gatta, Sylvia; Roisnel, Thierry; Vanthuyne, Nicolas; Jamoussi, Bassem; Pieters, Grégory; Racine, Benoît; Quesnel, Etienne; Autschbach, Jochen; Crassous, Jeanne; Favereau, Ludovic","Achieving high circularly polarized luminescence with push‒pull helicenic systems: from rationalized design to top-emission CP-OLED applications","Chemical Science","2021","12","15","5522","5533","10.1039/D0SC06895K","","x-ray","0.71073","MoKα","","0.0532","0.0433","","","0.1012","0.1067","","","","","","1.036","","","","has coordinates","265931","2021-06-05","18:00:33",""
"1560813","9.8352","0.0005","9.3209","0.0004","11.4836","0.0006","90","","108.743","0.003","90","","996.91","0.09","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H18 N2 O -","- C10 H18 N2 O -","- C40 H72 N8 O4 -","4","1","","Wiesenfeldt, Mario P.; Moock, Daniel; Paul, Daniel; Glorius, Frank","Enantioselective hydrogenation of annulated arenes: controlled formation of multiple stereocenters in adjacent rings","Chemical Science","2021","12","15","5611","5615","10.1039/D0SC07099H","","","1.54178","CuKα","","0.0591","0.041","","","0.093","0.1017","","","","","","1.054","","","","has coordinates","265930","2021-06-05","18:00:19",""
"1560814","8.3482","0.0005","6.0629","0.0003","13.2849","0.0009","90","","106.642","0.002","90","","644.24","0.07","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H20 Cl2 N2 O -","- C10 H20 Cl2 N2 O -","- C20 H40 Cl4 N4 O2 -","2","1","","Wiesenfeldt, Mario P.; Moock, Daniel; Paul, Daniel; Glorius, Frank","Enantioselective hydrogenation of annulated arenes: controlled formation of multiple stereocenters in adjacent rings","Chemical Science","2021","12","15","5611","5615","10.1039/D0SC07099H","","","0.71073","MoKα","","0.0644","0.0577","","","0.1439","0.1517","","","","","","1.077","","","","has coordinates","265930","2021-06-05","18:00:19",""
"1560843","11","0.002","12.1","0.002","13.5","0.003","96","0.03","93","0.03","109","0.03","1682.5","0.7","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H39 Cl Ge N P Si -","- C37 H39 Cl Ge N P Si -","- C74 H78 Cl2 Ge2 N2 P2 Si2 -","2","1","","Keil, Philip M.; Szilvási, Tibor; Hadlington, Terrance J.","Reversible metathesis of ammonia in an acyclic germylene‒Ni0 complex","Chemical Science","2021","12","15","5582","5590","10.1039/D1SC00450F","","","0.71073","MoKα","","0.0395","0.0318","","","0.0805","0.0855","","","","","","1.057","","","","has coordinates","265933","2021-06-05","18:01:42",""
"1560844","11.33","0.002","13.51","0.003","13.61","0.003","79.1","0.03","86.7","0.03","69.6","0.03","1917.3","0.8","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H45 Br Ge N P Si -","- C43 H45 Br Ge N P Si -","- C86 H90 Br2 Ge2 N2 P2 Si2 -","2","1","","Keil, Philip M.; Szilvási, Tibor; Hadlington, Terrance J.","Reversible metathesis of ammonia in an acyclic germylene‒Ni0 complex","Chemical Science","2021","12","15","5582","5590","10.1039/D1SC00450F","","","0.71073","MoKα","","0.0848","0.0513","","","0.1293","0.1598","","","","","","1.057","","","","has coordinates","265933","2021-06-05","18:01:42",""
"1560845","35.733","0.007","9.74","0.0019","17.97","0.004","90","","107.22","0.03","90","","5974","2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C31 H44 N P Si -","- C31 H44 N P Si -","- C248 H352 N8 P8 Si8 -","8","1","","Keil, Philip M.; Szilvási, Tibor; Hadlington, Terrance J.","Reversible metathesis of ammonia in an acyclic germylene‒Ni0 complex","Chemical Science","2021","12","15","5582","5590","10.1039/D1SC00450F","","","0.71073","MoKα","","0.076","0.0489","","","0.1283","0.1441","","","","","","1.032","","","","has coordinates","265933","2021-06-05","18:01:42",""
"1560846","40.613","0.008","9.87","0.002","23.16","0.005","90","","101.59","0.03","90","","9094","3","150","2","150","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C74 H78 Br6 Ge2 N2 Ni2 P2 Si2 -","- C74 H78 Br6 Ge2 N2 Ni2 P2 Si2 -","- C296 H312 Br24 Ge8 N8 Ni8 P8 Si8 -","4","0.5","","Keil, Philip M.; Szilvási, Tibor; Hadlington, Terrance J.","Reversible metathesis of ammonia in an acyclic germylene‒Ni0 complex","Chemical Science","2021","12","15","5582","5590","10.1039/D1SC00450F","","","0.71073","MoKα","","0.0785","0.047","","","0.127","0.1402","","","","","","0.97","","","","has coordinates","265933","2021-06-05","18:01:42",""
"1560847","11.28","0.002","13.73","0.003","15.61","0.003","84.3","0.03","83.7","0.03","72.9","0.03","2291","0.9","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H63 K N2 O2 P Si -","- C48 H63 K N2 O2 P Si -","- C96 H126 K2 N4 O4 P2 Si2 -","2","1","","Keil, Philip M.; Szilvási, Tibor; Hadlington, Terrance J.","Reversible metathesis of ammonia in an acyclic germylene‒Ni0 complex","Chemical Science","2021","12","15","5582","5590","10.1039/D1SC00450F","","","0.71073","MoKα","","0.0886","0.0641","","","0.1764","0.1979","","","","","","1.009","","","","has coordinates,has disorder","265933","2021-06-05","18:01:42",""
"1560848","15.55","0.003","19.91","0.004","21.82","0.004","90","","95.6","0.03","90","","6723","2","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H46 Cl Ge N P Si -","- C34 H46 Cl Ge N P Si -","- C272 H368 Cl8 Ge8 N8 P8 Si8 -","8","2","","Keil, Philip M.; Szilvási, Tibor; Hadlington, Terrance J.","Reversible metathesis of ammonia in an acyclic germylene‒Ni0 complex","Chemical Science","2021","12","15","5582","5590","10.1039/D1SC00450F","","","0.71073","MoKα","","0.1437","0.057","","","0.0974","0.1237","","","","","","1.01","","","","has coordinates","265933","2021-06-05","18:01:42",""
"1560849","12.18","0.002","13.55","0.003","20.86","0.004","75.1","0.03","88.3","0.03","70.4","0.03","3128.1","1.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C73 H71 Ge N2 Ni P3 Si -","- C73 H71 Ge N2 Ni P3 Si -","- C146 H142 Ge2 N4 Ni2 P6 Si2 -","2","1","","Keil, Philip M.; Szilvási, Tibor; Hadlington, Terrance J.","Reversible metathesis of ammonia in an acyclic germylene‒Ni0 complex","Chemical Science","2021","12","15","5582","5590","10.1039/D1SC00450F","","","0.71073","MoKα","","0.0582","0.0364","","","0.0831","0.0912","","","","","","1.016","","","","has coordinates","265933","2021-06-05","18:01:42",""
"1560850","11.11","0.002","17.26","0.004","18.29","0.004","65.1","0.03","88.4","0.03","85.3","0.03","3170.5","1.4","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C31 H43 Br Ge N P Si -","- C31 H43 Br Ge N P Si -","- C124 H172 Br4 Ge4 N4 P4 Si4 -","4","2","","Keil, Philip M.; Szilvási, Tibor; Hadlington, Terrance J.","Reversible metathesis of ammonia in an acyclic germylene‒Ni0 complex","Chemical Science","2021","12","15","5582","5590","10.1039/D1SC00450F","","","0.71073","MoKα","","0.0804","0.0609","","","0.1787","0.1968","","","","","","1.057","","","","has coordinates","265933","2021-06-05","18:01:42",""
"1560851","12.68","0.003","15.53","0.003","19.47","0.004","98.6","0.03","92","0.03","91.3","0.03","3787.1","1.4","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C73 H69 Br Ge N Ni P3 Si -","- C73 H69 Br Ge N Ni P3 Si -","- C146 H138 Br2 Ge2 N2 Ni2 P6 Si2 -","2","1","","Keil, Philip M.; Szilvási, Tibor; Hadlington, Terrance J.","Reversible metathesis of ammonia in an acyclic germylene‒Ni0 complex","Chemical Science","2021","12","15","5582","5590","10.1039/D1SC00450F","","","0.71073","MoKα","","0.0757","0.0531","","","0.1551","0.1658","","","","","","1.078","","","","has coordinates","265933","2021-06-05","18:01:42",""
"1560852","17.37","0.004","19.77","0.004","19.41","0.004","90","","102.7","0.03","90","","6502","3","150","2","150","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C71 H83 Cl Ge N Ni O P3 Si -","- C71 H83 Cl Ge N Ni O P3 Si -","- C284 H332 Cl4 Ge4 N4 Ni4 O4 P12 Si4 -","4","1","","Keil, Philip M.; Szilvási, Tibor; Hadlington, Terrance J.","Reversible metathesis of ammonia in an acyclic germylene‒Ni0 complex","Chemical Science","2021","12","15","5582","5590","10.1039/D1SC00450F","","","0.71073","MoKα","","0.0628","0.038","","","0.0932","0.1021","","","","","","1.035","","","","has coordinates","265933","2021-06-05","18:01:42",""
"1560853","17.43","0.004","19.84","0.004","19.41","0.004","90","","103.4","0.03","90","","6529","3","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C71 H84 Ge N Ni O2 P3 Si -","- C71 H84 Ge N Ni O2 P3 Si -","- C284 H336 Ge4 N4 Ni4 O8 P12 Si4 -","4","1","","Keil, Philip M.; Szilvási, Tibor; Hadlington, Terrance J.","Reversible metathesis of ammonia in an acyclic germylene‒Ni0 complex","Chemical Science","2021","12","15","5582","5590","10.1039/D1SC00450F","","","0.71073","MoKα","","0.08","0.0454","","","0.1034","0.1189","","","","","","1.013","","","","has coordinates","265933","2021-06-05","18:01:42",""
"1560854","20.25","0.004","11.15","0.002","18.55","0.004","90","","94.5","0.03","90","","4175.4","1.4","150","2","150","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C41 H44 Br2 Cl Ge N3 Ni P Si -","- C41 H44 Br2 Cl Ge N3 Ni P Si -","- C164 H176 Br8 Cl4 Ge4 N12 Ni4 P4 Si4 -","4","1","","Keil, Philip M.; Szilvási, Tibor; Hadlington, Terrance J.","Reversible metathesis of ammonia in an acyclic germylene‒Ni0 complex","Chemical Science","2021","12","15","5582","5590","10.1039/D1SC00450F","","","0.71073","MoKα","","0.0517","0.0352","","","0.0814","0.0907","","","","","","1.048","","","","has coordinates,has disorder","265933","2021-06-05","18:01:42",""
"1560855","12.16","0.002","13.52","0.003","20.8","0.004","75.4","0.03","89","0.03","70.9","0.03","3119.1","1.3","150","2","150","2","","","","","","","","9","P -1","-P 1","2","","","","- C73 H69 Br0.19 Cl0.81 Ge N Ni P3 Si -","- C73 H69 Br0.191 Cl0.809 Ge N Ni P3 Si -","- C146 H138 Br0.382 Cl1.618 Ge2 N2 Ni2 P6 Si2 -","2","1","","Keil, Philip M.; Szilvási, Tibor; Hadlington, Terrance J.","Reversible metathesis of ammonia in an acyclic germylene‒Ni0 complex","Chemical Science","2021","12","15","5582","5590","10.1039/D1SC00450F","","","0.71073","MoKα","","0.0516","0.0336","","","0.0771","0.0834","","","","","","1.011","","","","has coordinates,has disorder","265933","2021-06-05","18:01:42",""
"1560856","17.68","0.004","19.18","0.004","20.65","0.004","90","","108.8","0.03","90","","6629","3","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C77 H80 Ge N Ni O2 P3 Si -","- C77 H80 Ge N Ni O2 P3 Si -","- C308 H320 Ge4 N4 Ni4 O8 P12 Si4 -","4","1","","Keil, Philip M.; Szilvási, Tibor; Hadlington, Terrance J.","Reversible metathesis of ammonia in an acyclic germylene‒Ni0 complex","Chemical Science","2021","12","15","5582","5590","10.1039/D1SC00450F","","","0.71073","MoKα","","0.0935","0.0426","","","0.0892","0.1056","","","","","","0.939","","","","has coordinates","265933","2021-06-05","18:01:42",""
"1560857","11.25","0.002","17.78","0.004","20.52","0.004","88.3","0.03","75.7","0.03","73.3","0.03","3805.8","1.6","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C41 H49 Cl Ge N O P Si -","- C41 H49 Cl Ge N O P Si -","- C164 H196 Cl4 Ge4 N4 O4 P4 Si4 -","4","2","","Keil, Philip M.; Szilvási, Tibor; Hadlington, Terrance J.","Reversible metathesis of ammonia in an acyclic germylene‒Ni0 complex","Chemical Science","2021","12","15","5582","5590","10.1039/D1SC00450F","","","0.71073","MoKα","","0.0923","0.0504","","","0.1136","0.1315","","","","","","1.007","","","","has coordinates","265933","2021-06-05","18:01:42",""
"1560858","33.2828","0.0003","33.2828","0.0003","33.2828","0.0003","90","","90","","90","","36868.8","0.6","100","0.4","100","4","","","","","","","","5","I m -3 m","-I 4 2 3","229","","ST-sod-Co","","- C30 H17 Co3 N4 O14 -","- C30 H14 Co3 N4 O14 -","- C720 H336 Co72 N96 O336 -","24","0.25","","Zhang, Lei; Li, Fangfang; You, Jianjun; Hua, Nengbin; Wang, Qianting; Si, Junhui; Chen, Wenzhe; Wang, Wenjing; Wu, Xiaoyuan; Yang, Wenbin; Yuan, Daqiang; Lu, Canzhong; Liu, Yanrong; Al-Enizi, Abdullah M; Nafady, Ayman; Ma, Shengqian","A window-space-directed assembly strategy for the construction of supertetrahedron-based zeolitic mesoporous metal-organic frameworks with ultramicroporous apertures for selective gas adsorption.","Chemical science","2021","12","16","5767","5773","10.1039/d0sc06841a","","","1.54184","CuKα","","0.0983","0.0759","","","0.2216","0.2401","","","","","","1.055","","","","has coordinates","265914","2021-06-05","17:54:09",""
"1560859","32.9754","0.0001","32.9754","0.0001","32.9754","0.0001","90","","90","","90","","35856.7","0.19","104.5","0.7","104.5","0.7","","","","","","","","5","I m -3 m","-I 4 2 3","229","","ST-sod-Ni","","- C30 H17 N4 Ni3 O14 -","- C25.152 H12.768 N2.808 Ni3 O14 -","- C603.648 H306.432 N67.392 Ni72 O336 -","24","0.25","","Zhang, Lei; Li, Fangfang; You, Jianjun; Hua, Nengbin; Wang, Qianting; Si, Junhui; Chen, Wenzhe; Wang, Wenjing; Wu, Xiaoyuan; Yang, Wenbin; Yuan, Daqiang; Lu, Canzhong; Liu, Yanrong; Al-Enizi, Abdullah M; Nafady, Ayman; Ma, Shengqian","A window-space-directed assembly strategy for the construction of supertetrahedron-based zeolitic mesoporous metal-organic frameworks with ultramicroporous apertures for selective gas adsorption.","Chemical science","2021","12","16","5767","5773","10.1039/d0sc06841a","","x-ray","1.3405","GaKα","","0.0656","0.0629","","","0.1774","0.1802","","","","","","1.038","","","","has coordinates,has disorder","265914","2021-06-05","17:54:10",""
"1560860","33.2244","0.0002","33.2244","0.0002","33.2244","0.0002","90","","90","","90","","36675.1","0.4","105","2","105","2","","","","","","","","6","I m -3 m","-I 4 2 3","229","","ST-sod-Co/Ti","","- C30 H17 Co2 N4 O14 Ti -","- C30 H12.328 Co2 N4 O14 Ti -","- C720 H295.872 Co48 N96 O336 Ti24 -","24","0.25","","Zhang, Lei; Li, Fangfang; You, Jianjun; Hua, Nengbin; Wang, Qianting; Si, Junhui; Chen, Wenzhe; Wang, Wenjing; Wu, Xiaoyuan; Yang, Wenbin; Yuan, Daqiang; Lu, Canzhong; Liu, Yanrong; Al-Enizi, Abdullah M; Nafady, Ayman; Ma, Shengqian","A window-space-directed assembly strategy for the construction of supertetrahedron-based zeolitic mesoporous metal-organic frameworks with ultramicroporous apertures for selective gas adsorption.","Chemical science","2021","12","16","5767","5773","10.1039/d0sc06841a","","","1.3405","GaKα","","0.059","0.0536","","","0.1623","0.1679","","","","","","1.058","","","","has coordinates,has disorder","265914","2021-06-05","17:54:10",""
"1560984","31.9058","0.0006","17.2344","0.0003","20.9913","0.0004","90","","102.315","0.001","90","","11277","0.4","130","","130","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C119 H109.1 N12 O23 -","- C119 H109.1 N12 O23 -","- C476 H436.4 N48 O92 -","4","1","","Huang, Hsin-Hua; Song, Kyung Seob; Prescimone, Alessandro; Aster, Alexander; Cohen, Gabriel; Mannancherry, Rajesh; Vauthey, Eric; Coskun, Ali; Šolomek, Tomáš","Porous shape-persistent rylene imine cages with tunable optoelectronic properties and delayed fluorescence","Chemical Science","2021","12","14","5275","5285","10.1039/D1SC00347J","","x-ray","1.34143","GaKα","","0.0984","0.0879","","","0.2449","0.2617","","","","","","1.083","","","","has coordinates,has disorder","265926","2021-06-05","17:57:57",""
"1560985","31.8864","0.0019","17.2148","0.001","20.9689","0.0012","90","","102.403","0.003","90","","11241.6","1.1","130","","130","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C115.5 H108.1 N17 O23.2 -","- C115.5 H108.1 N17 O23.2 -","- C462 H432.4 N68 O92.8 -","4","1","","Huang, Hsin-Hua; Song, Kyung Seob; Prescimone, Alessandro; Aster, Alexander; Cohen, Gabriel; Mannancherry, Rajesh; Vauthey, Eric; Coskun, Ali; Šolomek, Tomáš","Porous shape-persistent rylene imine cages with tunable optoelectronic properties and delayed fluorescence","Chemical Science","2021","12","14","5275","5285","10.1039/D1SC00347J","","x-ray","1.54178","CuKα","","0.0746","0.0713","","","0.2088","0.2145","","","","","","1.053","","","","has coordinates,has disorder","265926","2021-06-05","17:57:58",""
"1561006","19.6026","0.0009","9.2014","0.0009","11.0368","0.0003","90","","99.434","0.003","90","","1963.8","0.2","293","2","293","2","","","500000","","","","","5","C 1 2/c 1","-C 2yc","15","CUK-1(Co)","CUK-1(Co) MOF","","- C14 H8 Co3 N2 O10 -","- C14 H8 Co3 N2 O10 -","- C56 H32 Co12 N8 O40 -","4","0.5","","Iacomi, Paul; Lee, Ji Sun; Vanduyfhuys, Louis; Cho, Kyung Ho; Fertey, Pierre; Wieme, Jelle; Granier, Dominique; Maurin, Guillaume; Van Speybroeck, Veronique; Chang, Jong-San; Yot, Pascal G.","Crystals springing into action: metal‒organic framework CUK-1 as a pressure-driven molecular spring","Chemical Science","2021","12","15","5682","5687","10.1039/D1SC00205H","","x-ray","0.5137","synchrotron","","0.0598","0.0549","","","0.16","0.1657","","","","","","1.118","","","","has coordinates","265932","2021-06-05","18:00:52",""
"1561007","18.974","0.003","11.0427","0.0015","10.9677","0.0006","90","","100.796","0.009","90","","2257.3","0.5","293","2","293","2","","","300000","","","","","5","C 1 2/c 1","-C 2yc","15","CUK-1(Co)","CUK-1(Co) MOF","","- C14 H8 Co3 N2 O10 -","- C14 H8 Co3 N2 O10 -","- C56 H32 Co12 N8 O40 -","4","0.5","","Iacomi, Paul; Lee, Ji Sun; Vanduyfhuys, Louis; Cho, Kyung Ho; Fertey, Pierre; Wieme, Jelle; Granier, Dominique; Maurin, Guillaume; Van Speybroeck, Veronique; Chang, Jong-San; Yot, Pascal G.","Crystals springing into action: metal‒organic framework CUK-1 as a pressure-driven molecular spring","Chemical Science","2021","12","15","5682","5687","10.1039/D1SC00205H","","x-ray","0.5137","synchrotron","","0.059","0.0522","","","0.1394","0.149","","","","","","1.063","","","","has coordinates","265932","2021-06-05","18:00:52",""
"1561008","19.6011","0.0009","9.2018","0.0009","11.036","0.0004","90","","99.435","0.003","90","","1963.6","0.2","293","2","293","2","","","680000","","","","","5","C 1 2/c 1","-C 2yc","15","CUK-1(Co)","CUK-1(Co) MOF","","- C14 H8 Co3 N2 O10 -","- C14 H8 Co3 N2 O10 -","- C56 H32 Co12 N8 O40 -","4","0.5","","Iacomi, Paul; Lee, Ji Sun; Vanduyfhuys, Louis; Cho, Kyung Ho; Fertey, Pierre; Wieme, Jelle; Granier, Dominique; Maurin, Guillaume; Van Speybroeck, Veronique; Chang, Jong-San; Yot, Pascal G.","Crystals springing into action: metal‒organic framework CUK-1 as a pressure-driven molecular spring","Chemical Science","2021","12","15","5682","5687","10.1039/D1SC00205H","","x-ray","0.5137","synchrotron","","0.0677","0.061","","","0.1971","0.2079","","","","","","1.204","","","","has coordinates","265932","2021-06-05","18:00:52",""
"1561009","7.4765","0.0001","14.1513","0.0003","15.0795","0.0004","115.507","0.003","99.363","0.002","99.595","0.002","1369.63","0.07","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C6 N3 O27 P6 Zn3 -","- C6 N3 O27 P6 Zn3 -","- C12 N6 O54 P12 Zn6 -","2","1","","Ma, Nattapol; Kosasang, Soracha; Yoshida, Atsushi; Horike, Satoshi","Proton-conductive coordination polymer glass for solid-state anhydrous proton batteries","Chemical Science","2021","12","16","5818","5824","10.1039/D1SC00392E","","x-ray","0.71073","MoKα","","0.0329","0.0311","","","0.0843","0.0851","","","","","","1.135","","","","has coordinates","265912","2021-06-05","17:52:48",""
"1561085","16.902","0.0007","9.4331","0.0005","15.2863","0.0007","90","","113.371","0.003","90","","2237.26","0.19","173","2","173","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C27 H29 B O -","- C27 H29 B O -","- C108 H116 B4 O4 -","4","2","","Ouadoudi, Omar; Kaehler, Tanja; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","One tool to bring them all: Au-catalyzed synthesis of B,O- and B,N-doped PAHs from boronic and borinic acids","Chemical Science","2021","12","16","5898","5909","10.1039/D1SC00543J","","","0.71073","MoKα","","0.0653","0.0551","","","0.1371","0.1435","","","","","","1.105","","","","has coordinates","264892","2021-05-05","08:24:45",""
"1561086","9.3999","0.0004","11.8608","0.0007","20.7807","0.0009","90","","90","","90","","2316.8","0.2","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H32 B N -","- C28 H32 B N -","- C112 H128 B4 N4 -","4","1","","Ouadoudi, Omar; Kaehler, Tanja; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","One tool to bring them all: Au-catalyzed synthesis of B,O- and B,N-doped PAHs from boronic and borinic acids","Chemical Science","2021","12","16","5898","5909","10.1039/D1SC00543J","","","0.71073","MoKα","","0.0718","0.0662","","","0.1517","0.1551","","","","","","1.249","","","","has coordinates,has disorder","264892","2021-05-05","08:24:46",""
"1561087","7.9871","0.0013","4.6704","0.0005","16.324","0.003","90","","101.395","0.012","90","","596.93","0.16","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H10 B2 O2 -","- C16 H10 B2 O2 -","- C32 H20 B4 O4 -","2","0.5","","Ouadoudi, Omar; Kaehler, Tanja; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","One tool to bring them all: Au-catalyzed synthesis of B,O- and B,N-doped PAHs from boronic and borinic acids","Chemical Science","2021","12","16","5898","5909","10.1039/D1SC00543J","","","0.71073","MoKα","","0.1371","0.1063","","","0.1676","0.1783","","","","","","1.342","","","","has coordinates","264892","2021-05-05","08:24:46",""
"1561088","33.3265","0.0016","6.9745","0.0002","23.9282","0.0012","90","","125.567","0.003","90","","4524.1","0.4","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C51 H58 B2 O3 -","- C51 H58 B2 O3 -","- C204 H232 B8 O12 -","4","0.5","","Ouadoudi, Omar; Kaehler, Tanja; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","One tool to bring them all: Au-catalyzed synthesis of B,O- and B,N-doped PAHs from boronic and borinic acids","Chemical Science","2021","12","16","5898","5909","10.1039/D1SC00543J","","","0.71073","MoKα","","0.0793","0.0654","","","0.166","0.1751","","","","","","1.048","","","","has coordinates,has disorder","264892","2021-05-05","08:24:46",""
"1561089","19.5614","0.0014","19.5614","0.0014","6.7125","0.0005","90","","90","","90","","2568.5","0.3","173","2","173","2","","","","","","","","4","P 42/n :2","-P 4bc","86","","","","- C28 H32 B4 O6 -","- C28 H32 B4 O6 -","- C112 H128 B16 O24 -","4","0.5","","Ouadoudi, Omar; Kaehler, Tanja; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","One tool to bring them all: Au-catalyzed synthesis of B,O- and B,N-doped PAHs from boronic and borinic acids","Chemical Science","2021","12","16","5898","5909","10.1039/D1SC00543J","","","0.71073","MoKα","","0.1878","0.1169","","","0.1815","0.214","","","","","","1.265","","","","has coordinates","264892","2021-05-05","08:24:46",""
"1561090","12.8766","0.0008","14.0599","0.0009","15.4098","0.001","96.874","0.005","102.28","0.005","90.643","0.005","2704.5","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C32.5 H34.5 B O -","- C32.5 H34.5 B O -","- C130 H138 B4 O4 -","4","2","","Ouadoudi, Omar; Kaehler, Tanja; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","One tool to bring them all: Au-catalyzed synthesis of B,O- and B,N-doped PAHs from boronic and borinic acids","Chemical Science","2021","12","16","5898","5909","10.1039/D1SC00543J","","","0.71073","MoKα","","0.1208","0.0862","","","0.1754","0.1902","","","","","","1.149","","","","has coordinates","264892","2021-05-05","08:24:46",""
"1561091","35.674","0.002","10.716","0.0005","29.67","0.002","90","","98.307","0.005","90","","11223.3","1.1","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C31 H30 B F3 O2 -","- C31 H30 B F3 O2 -","- C496 H480 B16 F48 O32 -","16","2","","Ouadoudi, Omar; Kaehler, Tanja; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","One tool to bring them all: Au-catalyzed synthesis of B,O- and B,N-doped PAHs from boronic and borinic acids","Chemical Science","2021","12","16","5898","5909","10.1039/D1SC00543J","","","0.71073","MoKα","","0.1687","0.0693","","","0.1476","0.1857","","","","","","1.001","","","","has coordinates","264892","2021-05-05","08:24:46",""
"1561092","19.2423","0.0012","10.9228","0.0005","26.3907","0.0012","90","","90","","90","","5546.8","0.5","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C31 H28 Br F3 -","- C31 H28 Br F3 -","- C248 H224 Br8 F24 -","8","1","","Ouadoudi, Omar; Kaehler, Tanja; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","One tool to bring them all: Au-catalyzed synthesis of B,O- and B,N-doped PAHs from boronic and borinic acids","Chemical Science","2021","12","16","5898","5909","10.1039/D1SC00543J","","","0.71073","MoKα","","0.0974","0.0605","","","0.1241","0.1388","","","","","","1.062","","","","has coordinates,has disorder","264892","2021-05-05","08:24:46",""
"1561093","32.1592","0.0013","9.1287","0.0002","24.8768","0.001","90","","112.858","0.003","90","","6729.6","0.4","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C37 H42 B F3 O2 -","- C37 H42 B F3 O2 -","- C296 H336 B8 F24 O16 -","8","1","","Ouadoudi, Omar; Kaehler, Tanja; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","One tool to bring them all: Au-catalyzed synthesis of B,O- and B,N-doped PAHs from boronic and borinic acids","Chemical Science","2021","12","16","5898","5909","10.1039/D1SC00543J","","","0.71073","MoKα","","0.0647","0.0527","","","0.1239","0.1303","","","","","","1.105","","","","has coordinates,has disorder","264892","2021-05-05","08:24:46",""
"1561094","14.4318","0.0018","9.4346","0.0018","19.482","0.002","90","","91.219","0.009","90","","2652","0.7","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H34 B N -","- C32 H34 B N -","- C128 H136 B4 N4 -","4","1","","Ouadoudi, Omar; Kaehler, Tanja; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","One tool to bring them all: Au-catalyzed synthesis of B,O- and B,N-doped PAHs from boronic and borinic acids","Chemical Science","2021","12","16","5898","5909","10.1039/D1SC00543J","","","0.71073","MoKα","","0.2386","0.1032","","","0.1848","0.2519","","","","","","1.032","","","","has coordinates","264892","2021-05-05","08:24:46",""
"1561095","8.5512","0.0009","11.0326","0.001","12.6835","0.0012","67.901","0.007","89.033","0.008","67.825","0.007","1015.7","0.19","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H52 B2 O2 -","- C48 H52 B2 O2 -","- C48 H52 B2 O2 -","1","0.5","","Ouadoudi, Omar; Kaehler, Tanja; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","One tool to bring them all: Au-catalyzed synthesis of B,O- and B,N-doped PAHs from boronic and borinic acids","Chemical Science","2021","12","16","5898","5909","10.1039/D1SC00543J","","","0.71073","MoKα","","0.0808","0.0592","","","0.1334","0.1425","","","","","","1.153","","","","has coordinates,has disorder","264892","2021-05-05","08:24:46",""
"1561096","23.7421","0.0008","21.8444","0.0006","8.6139","0.0002","90","","90","","90","","4467.4","0.2","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C27 H29 B O -","- C27 H29 B O -","- C216 H232 B8 O8 -","8","1","","Ouadoudi, Omar; Kaehler, Tanja; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","One tool to bring them all: Au-catalyzed synthesis of B,O- and B,N-doped PAHs from boronic and borinic acids","Chemical Science","2021","12","16","5898","5909","10.1039/D1SC00543J","","","0.71073","MoKα","","0.0551","0.0451","","","0.1163","0.1255","","","","","","1.077","","","","has coordinates","264892","2021-05-05","08:24:46",""
"1561097","26.944","0.002","6.2564","0.0004","22.5176","0.0017","90","","113.082","0.006","90","","3492","0.5","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 Br -","- C22 H19 Br -","- C176 H152 Br8 -","8","2","","Ouadoudi, Omar; Kaehler, Tanja; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","One tool to bring them all: Au-catalyzed synthesis of B,O- and B,N-doped PAHs from boronic and borinic acids","Chemical Science","2021","12","16","5898","5909","10.1039/D1SC00543J","","","0.71073","MoKα","","0.1299","0.0627","","","0.1509","0.1923","","","","","","0.984","","","","has coordinates","264892","2021-05-05","08:24:46",""
"1561098","6.7963","0.0003","15.0543","0.0008","20.4812","0.0011","90","","97.297","0.001","90","","2078.53","0.18","298","2","298.39","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H17 Am N2 O11 -","- C10 H17 Am N2 O11 -","- C40 H68 Am4 N8 O44 -","4","1","","Jones, Zachary R.; Livshits, Maksim Y.; White, Frankie D.; Dalodière, Elodie; Ferrier, Maryline G.; Lilley, Laura M.; Knope, Karah E.; Kozimor, Stosh A.; Mocko, Veronika; Scott, Brian L.; Stein, Benjamin W.; Wacker, Jennifer N.; Woen, David H.","Advancing understanding of actinide(iii) (Ac, Am, Cm) aqueous complexation chemistry","Chemical Science","2021","12","15","5638","5654","10.1039/D1SC00233C","","","0.71073","MoKα","","0.0367","0.0284","","","0.0719","0.0749","","","","","","1.09","","","","has coordinates","264893","2021-05-05","08:25:02",""
"1561099","6.7801","0.0003","15.0056","0.0007","20.489","0.001","90","","97.24","0.001","90","","2067.92","0.17","298","2","298.06","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H25 Cm N2 O11 -","- C10 H25 Cm N2 O11 -","- C40 H100 Cm4 N8 O44 -","4","1","","Jones, Zachary R.; Livshits, Maksim Y.; White, Frankie D.; Dalodière, Elodie; Ferrier, Maryline G.; Lilley, Laura M.; Knope, Karah E.; Kozimor, Stosh A.; Mocko, Veronika; Scott, Brian L.; Stein, Benjamin W.; Wacker, Jennifer N.; Woen, David H.","Advancing understanding of actinide(iii) (Ac, Am, Cm) aqueous complexation chemistry","Chemical Science","2021","12","15","5638","5654","10.1039/D1SC00233C","","","0.71073","MoKα","","0.0289","0.0252","","","0.0638","0.0652","","","","","","1.171","","","","has coordinates","264893","2021-05-05","08:25:05",""
"1561100","6.7137","0.0004","14.8928","0.0008","20.2772","0.0012","90","","97.157","0.003","90","","2011.6","0.2","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H17 Eu N2 O11 -","- C10 H17 Eu N2 O11 -","- C40 H68 Eu4 N8 O44 -","4","1","","Jones, Zachary R.; Livshits, Maksim Y.; White, Frankie D.; Dalodière, Elodie; Ferrier, Maryline G.; Lilley, Laura M.; Knope, Karah E.; Kozimor, Stosh A.; Mocko, Veronika; Scott, Brian L.; Stein, Benjamin W.; Wacker, Jennifer N.; Woen, David H.","Advancing understanding of actinide(iii) (Ac, Am, Cm) aqueous complexation chemistry","Chemical Science","2021","12","15","5638","5654","10.1039/D1SC00233C","","","0.71073","MoKα","","0.0716","0.0584","","","0.1198","0.1241","","","","","","1.181","","","","has coordinates","264893","2021-05-05","08:25:05",""
"1561101","9.0183","0.0015","10.8486","0.0018","22.331","0.003","90","","92.992","0.009","90","","2181.8","0.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C56 H46 N4 O8 -","- C56 H46 N4 O8 -","- C112 H92 N8 O16 -","2","0.5","","Gimeno, Ignacio; Urtizberea, Ainhoa; Román-Roche, Juan; Zueco, David; Camón, Agustín; Alonso, Pablo J.; Roubeau, Olivier; Luis, Fernando","Broad-band spectroscopy of a vanadyl porphyrin: a model electronuclear spin qudit","Chemical Science","2021","12","15","5621","5630","10.1039/D1SC00564B","","","0.71073","MoKα","","0.066","0.0601","","","0.1536","0.1573","","","","","","1.132","","","","has coordinates,has disorder","265929","2021-06-05","18:00:11",""
"1561102","9.4036","0.0014","10.8957","0.0013","22.319","0.003","90","","90.524","0.013","90","","2286.7","0.5","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H45 N4 O8.5 Ti0.5 -","- C56 H45 N4 O8.5 Ti0.5 -","- C112 H90 N8 O17 Ti -","2","0.5","","Gimeno, Ignacio; Urtizberea, Ainhoa; Román-Roche, Juan; Zueco, David; Camón, Agustín; Alonso, Pablo J.; Roubeau, Olivier; Luis, Fernando","Broad-band spectroscopy of a vanadyl porphyrin: a model electronuclear spin qudit","Chemical Science","2021","12","15","5621","5630","10.1039/D1SC00564B","","","0.71073","MoKα","","0.1054","0.0672","","","0.1724","0.2071","","","","","","1.016","","","","has coordinates,has disorder","265929","2021-06-05","18:00:12",""
"1561103","9.3937","0.0006","10.8559","0.0006","22.317","0.002","90","","93.508","0.008","90","","2271.6","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H44 N4 O9 V -","- C56 H44 N4 O9 V -","- C112 H88 N8 O18 V2 -","2","0.5","","Gimeno, Ignacio; Urtizberea, Ainhoa; Román-Roche, Juan; Zueco, David; Camón, Agustín; Alonso, Pablo J.; Roubeau, Olivier; Luis, Fernando","Broad-band spectroscopy of a vanadyl porphyrin: a model electronuclear spin qudit","Chemical Science","2021","12","15","5621","5630","10.1039/D1SC00564B","","","0.71073","MoKα","","0.121","0.0895","","","0.2274","0.2496","","","","","","1.029","","","","has coordinates,has disorder","265929","2021-06-05","18:00:12",""
"1561180","18.8279","0.001","27.9082","0.0016","32.268","0.003","90","","106.815","0.003","90","","16230","2","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","2SeTe-Ox","","","- C84 H108 O16 Se4 Te2 -","- C84 H108 O16 Se4 Te2 -","- C672 H864 O128 Se32 Te16 -","8","2","","Wang, Shitao; Yan, Chaoxian; Zhao, Wenlong; Liu, Xiaolan; Yuan, Cheng-Shan; Zhang, Hao-Li; Shao, Xiangfeng","A tellura-Baeyer‒Villiger oxidation: one-step transformation of tellurophene into chiral tellurinate lactone","Chemical Science","2021","12","16","5811","5817","10.1039/D1SC00397F","","","0.71073","MoKα","","0.0978","0.0588","","","0.1427","0.1657","","","","","","1.036","","","","has coordinates,has disorder","265913","2021-06-05","17:53:37",""
"1561181","9.902","0.003","14.643","0.004","16.12","0.005","106.116","0.009","104.058","0.011","96.56","0.009","2136.4","1.1","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","2SeTe-ox-Cl","2SeTe-ox-Cl","","- C42 H54 Cl2 O7 Se2 Te -","- C42 H54 Cl2 O7 Se2 Te -","- C84 H108 Cl4 O14 Se4 Te2 -","2","1","","Wang, Shitao; Yan, Chaoxian; Zhao, Wenlong; Liu, Xiaolan; Yuan, Cheng-Shan; Zhang, Hao-Li; Shao, Xiangfeng","A tellura-Baeyer‒Villiger oxidation: one-step transformation of tellurophene into chiral tellurinate lactone","Chemical Science","2021","12","16","5811","5817","10.1039/D1SC00397F","","","0.71073","MoKα","","0.103","0.0792","","","0.2298","0.2564","","","","","","1.118","","","","has coordinates","265913","2021-06-05","17:53:37",""
"1561182","37.942","0.002","17.3698","0.0011","29.2185","0.0018","90","","105.56","0.002","90","","18550.6","1.9","170","","170","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","IM-1","","","- C98 H124 Cl2 O17 Te2 -","- C98 H124 Cl2 O17 Te2 -","- C784 H992 Cl16 O136 Te16 -","8","1","","Wang, Shitao; Yan, Chaoxian; Zhao, Wenlong; Liu, Xiaolan; Yuan, Cheng-Shan; Zhang, Hao-Li; Shao, Xiangfeng","A tellura-Baeyer‒Villiger oxidation: one-step transformation of tellurophene into chiral tellurinate lactone","Chemical Science","2021","12","16","5811","5817","10.1039/D1SC00397F","","","0.71073","MoKα","","0.1331","0.0876","","","0.2282","0.2711","","","","","","1.026","","","","has coordinates,has disorder","265913","2021-06-05","17:53:37",""
"1561183","39.1328","0.0011","20.3253","0.0007","29.544","0.0008","90","","136.459","0.001","90","","16187.8","0.9","150","","150","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Te-Ox","","","- C84 H116 O16 Te2 -","- C84 H116 O16 Te2 -","- C672 H928 O128 Te16 -","8","1","","Wang, Shitao; Yan, Chaoxian; Zhao, Wenlong; Liu, Xiaolan; Yuan, Cheng-Shan; Zhang, Hao-Li; Shao, Xiangfeng","A tellura-Baeyer‒Villiger oxidation: one-step transformation of tellurophene into chiral tellurinate lactone","Chemical Science","2021","12","16","5811","5817","10.1039/D1SC00397F","","","0.71073","MoKα","","0.0719","0.0396","","","0.073","0.0883","","","","","","1.076","","","","has coordinates,has disorder","265913","2021-06-05","17:53:37",""
"1561184","19.1567","0.001","35.2402","0.0017","49.703","0.002","97.646","0.002","90.535","0.002","92.72","0.002","33214","3","170","2","170","2","","","","","","","","5","P -1","-P 1","2","2STe-Ox","","","- C84 H108 O16 S4 Te2 -","- C84 H108 O16 S4 Te2 -","- C1344 H1728 O256 S64 Te32 -","16","8","","Wang, Shitao; Yan, Chaoxian; Zhao, Wenlong; Liu, Xiaolan; Yuan, Cheng-Shan; Zhang, Hao-Li; Shao, Xiangfeng","A tellura-Baeyer‒Villiger oxidation: one-step transformation of tellurophene into chiral tellurinate lactone","Chemical Science","2021","12","16","5811","5817","10.1039/D1SC00397F","","","0.71073","MoKα","","0.1274","0.0874","","","0.2278","0.2499","","","","","","1.017","","","","has coordinates,has disorder","265913","2021-06-05","17:53:37",""
"1561185","9.8421","0.0004","14.6373","0.0006","16.1252","0.0006","107.209","0.003","103.814","0.003","97.239","0.003","2105.86","0.16","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","2STe-ox-Cl","2STe-ox-Cl","","- C42 H54 Cl2 O7 S2 Te -","- C42 H54 Cl2 O7 S2 Te -","- C84 H108 Cl4 O14 S4 Te2 -","2","1","","Wang, Shitao; Yan, Chaoxian; Zhao, Wenlong; Liu, Xiaolan; Yuan, Cheng-Shan; Zhang, Hao-Li; Shao, Xiangfeng","A tellura-Baeyer‒Villiger oxidation: one-step transformation of tellurophene into chiral tellurinate lactone","Chemical Science","2021","12","16","5811","5817","10.1039/D1SC00397F","","x-ray","1.54184","CuKα","","0.1242","0.1093","","","0.2875","0.3028","","","","","","1.046","","","","has coordinates,has disorder","265913","2021-06-05","17:53:37",""
"1561186","14.21","0.003","28.1537","0.0019","27.91","0.003","90","","104.632","0.008","90","","10804","3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C72 H162 K N O24 Si6 U2 -","- C72 H162 K N O24 Si6 U2 -","- C288 H648 K4 N4 O96 Si24 U8 -","4","1","","Modder, Dieuwertje K.; Palumbo, Chad T.; Douair, Iskander; Scopelliti, Rosario; Maron, Laurent; Mazzanti, Marinella","Single metal four-electron reduction by U(ii) and masked ""U(ii)"" compounds.","Chemical science","2021","12","17","6153","6158","10.1039/d1sc00668a","","","0.71073","MoKα","","0.1292","0.0686","","","0.133","0.1623","","","","","","1.111","","","","has coordinates,has disorder","265908","2021-06-05","17:51:43",""
"1561187","13.9065","0.0004","18.2338","0.0007","22.181","0.0009","90","","92.45","0.004","90","","5619.3","0.4","139.99","0.1","139.99","0.1","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C73 H162 K2 N2 O24 S2 Si6 U2 -","- C73 H162 K2 N2 O24 S2 Si6 U2 -","- C146 H324 K4 N4 O48 S4 Si12 U4 -","2","1","","Modder, Dieuwertje K.; Palumbo, Chad T.; Douair, Iskander; Scopelliti, Rosario; Maron, Laurent; Mazzanti, Marinella","Single metal four-electron reduction by U(ii) and masked ""U(ii)"" compounds.","Chemical science","2021","12","17","6153","6158","10.1039/d1sc00668a","","x-ray","1.54184","CuKα","","0.1313","0.0772","","","0.1898","0.2164","","","","","","1.074","","","","has coordinates,has disorder","265908","2021-06-05","17:51:43",""
"1561188","13.9377","0.0005","17.9175","0.0005","22.0849","0.0006","90","","92.306","0.003","90","","5510.8","0.3","100","0.1","100","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C73 H162 K2 N2 O26 Si6 U2 -","- C73 H162 K2 N2 O26 Si6 U2 -","- C146 H324 K4 N4 O52 Si12 U4 -","2","1","","Modder, Dieuwertje K.; Palumbo, Chad T.; Douair, Iskander; Scopelliti, Rosario; Maron, Laurent; Mazzanti, Marinella","Single metal four-electron reduction by U(ii) and masked ""U(ii)"" compounds.","Chemical science","2021","12","17","6153","6158","10.1039/d1sc00668a","","x-ray","1.54184","CuKα","","0.0857","0.064","","","0.1592","0.1724","","","","","","1.017","","","","has coordinates,has disorder","265908","2021-06-05","17:51:43",""
"1561189","14.4207","0.0004","17.5321","0.0005","21.9098","0.0006","90","","91.84","0.003","90","","5536.5","0.3","140.01","0.1","140.01","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C79 H172 K2 N2 O24 Si6 U2 -","- C79 H172 K2 N2 O24 Si6 U2 -","- C158 H344 K4 N4 O48 Si12 U4 -","2","0.5","","Modder, Dieuwertje K.; Palumbo, Chad T.; Douair, Iskander; Scopelliti, Rosario; Maron, Laurent; Mazzanti, Marinella","Single metal four-electron reduction by U(ii) and masked ""U(ii)"" compounds.","Chemical science","2021","12","17","6153","6158","10.1039/d1sc00668a","","x-ray","0.71073","MoKα","","0.0695","0.039","","","0.0824","0.0983","","","","","","1.06","","","","has coordinates,has disorder","265908","2021-06-05","17:51:43",""
"1561190","14.382","0.002","17.661","0.003","21.819","0.004","90","","92.012","0.009","90","","5538.6","1.6","100","2","100.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C72 H162 K2 N4 O24 Si6 U2 -","- C72 H162 K2 N4 O24 Si6 U2 -","- C144 H324 K4 N8 O48 Si12 U4 -","2","0.5","","Modder, Dieuwertje K.; Palumbo, Chad T.; Douair, Iskander; Scopelliti, Rosario; Maron, Laurent; Mazzanti, Marinella","Single metal four-electron reduction by U(ii) and masked ""U(ii)"" compounds.","Chemical science","2021","12","17","6153","6158","10.1039/d1sc00668a","","","0.71073","MoKα","","0.117","0.0592","","","0.1241","0.1665","","","","","","1.135","","","","has coordinates,has disorder","265908","2021-06-05","17:51:43",""
"1561191","13.9927","0.0015","18.2874","0.0012","22.208","0.002","90","","93.321","0.007","90","","5673.3","0.9","120","2","120","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C81 H170 K2 N2 O26 Si6 U2 -","- C81 H170 K2 N2 O26 Si6 U2 -","- C162 H340 K4 N4 O52 Si12 U4 -","2","1","","Modder, Dieuwertje K.; Palumbo, Chad T.; Douair, Iskander; Scopelliti, Rosario; Maron, Laurent; Mazzanti, Marinella","Single metal four-electron reduction by U(ii) and masked ""U(ii)"" compounds.","Chemical science","2021","12","17","6153","6158","10.1039/d1sc00668a","","","0.71073","MoKα","","0.0717","0.0511","","","0.1029","0.1128","","","","","","1.067","","","","has coordinates,has disorder","265908","2021-06-05","17:51:43",""
"1561223","16.2273","0.0012","15.8447","0.0009","18.9351","0.0014","90","","98.715","0.003","90","","4812.3","0.6","150","","150","","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","","","- C52 H62 Ca O4 Sn2 -","- C52 H62 Ca O4 Sn2 -","- C208 H248 Ca4 O16 Sn8 -","4","0.5","","Chapple, Peter M.; Cartron, Julien; Hamdoun, Ghanem; Kahlal, Samia; Cordier, Marie; Oulyadi, Hassan; Carpentier, Jean-François; Saillard, Jean-Yves; Sarazin, Yann","Metal‒metal bonded alkaline-earth distannyls","Chemical Science","2021","12","20","7098","7114","10.1039/D1SC00436K","","x-ray","0.71073","MoKα","","0.0499","0.0336","","","0.0709","0.0785","","","","","","1.058","","","","has coordinates","265915","2021-06-05","17:54:38",""
"1561224","20.9784","0.0013","13.237","0.0008","20.0226","0.0016","90","","105.698","0.004","90","","5352.7","0.6","150","","150","","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H86 Ca O4 Si6 Sn2 -","- C34 H86 Ca O4 Si6 Sn2 -","- C136 H344 Ca4 O16 Si24 Sn8 -","4","1","","Chapple, Peter M.; Cartron, Julien; Hamdoun, Ghanem; Kahlal, Samia; Cordier, Marie; Oulyadi, Hassan; Carpentier, Jean-François; Saillard, Jean-Yves; Sarazin, Yann","Metal‒metal bonded alkaline-earth distannyls","Chemical Science","2021","12","20","7098","7114","10.1039/D1SC00436K","","x-ray","0.71073","MoKα","","0.0741","0.0407","","","0.083","0.098","","","","","","1.005","","","","has coordinates,has disorder","265915","2021-06-05","17:54:39",""
"1561225","16.3942","0.0019","15.957","0.0017","19.01","0.002","90","","99.049","0.005","90","","4911.2","0.9","150","","150","","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","","","- C52 H62 O4 Sn2 Sr -","- C52 H62 O4 Sn2 Sr -","- C208 H248 O16 Sn8 Sr4 -","4","0.5","","Chapple, Peter M.; Cartron, Julien; Hamdoun, Ghanem; Kahlal, Samia; Cordier, Marie; Oulyadi, Hassan; Carpentier, Jean-François; Saillard, Jean-Yves; Sarazin, Yann","Metal‒metal bonded alkaline-earth distannyls","Chemical Science","2021","12","20","7098","7114","10.1039/D1SC00436K","","x-ray","0.71073","MoKα","","0.0443","0.0331","","","0.0744","0.0813","","","","","","1.035","","","","has coordinates","265915","2021-06-05","17:54:39",""
"1561226","19.499","0.004","17.117","0.003","34.898","0.007","90","","91.768","0.006","90","","11642","4","150","","150","","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H94 Ba O5 Si6 Sn2 -","- C38 H94 Ba O5 Si6 Sn2 -","- C304 H752 Ba8 O40 Si48 Sn16 -","8","1","","Chapple, Peter M.; Cartron, Julien; Hamdoun, Ghanem; Kahlal, Samia; Cordier, Marie; Oulyadi, Hassan; Carpentier, Jean-François; Saillard, Jean-Yves; Sarazin, Yann","Metal‒metal bonded alkaline-earth distannyls","Chemical Science","2021","12","20","7098","7114","10.1039/D1SC00436K","","x-ray","0.71073","MoKα","","0.0643","0.0569","","","0.1231","0.1267","","","","","","1.128","","","","has coordinates,has disorder","265915","2021-06-05","17:54:39",""
"1561227","40.215","0.005","13.1722","0.0017","20.52","0.003","90","","93.183","0.004","90","","10853","3","150","","150","","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H86 O4 Si6 Sn2 Sr -","- C34 H86 O4 Si6 Sn2 Sr -","- C272 H688 O32 Si48 Sn16 Sr8 -","8","2","","Chapple, Peter M.; Cartron, Julien; Hamdoun, Ghanem; Kahlal, Samia; Cordier, Marie; Oulyadi, Hassan; Carpentier, Jean-François; Saillard, Jean-Yves; Sarazin, Yann","Metal‒metal bonded alkaline-earth distannyls","Chemical Science","2021","12","20","7098","7114","10.1039/D1SC00436K","","x-ray","0.71073","MoKα","","0.0901","0.0812","","","0.2469","0.2585","","","","","","1.017","","","","has coordinates","265915","2021-06-05","17:54:39",""
"1561228","17.2099","0.0009","35.155","0.002","18.6605","0.001","90","","90","","90","","11289.9","1.1","150","","150","","","","","","","","synthesis as described","5","P c a 21","P 2c -2ac","29","","","","- C116 H148 Ba2 O11 Sn4 -","- C116 H148 Ba2 O11 Sn4 -","- C464 H592 Ba8 O44 Sn16 -","4","1","","Chapple, Peter M.; Cartron, Julien; Hamdoun, Ghanem; Kahlal, Samia; Cordier, Marie; Oulyadi, Hassan; Carpentier, Jean-François; Saillard, Jean-Yves; Sarazin, Yann","Metal‒metal bonded alkaline-earth distannyls","Chemical Science","2021","12","20","7098","7114","10.1039/D1SC00436K","","x-ray","0.71073","MoKα","","0.0744","0.0606","","","0.1355","0.1447","","","","","","1.12","","","","has coordinates,has disorder","265915","2021-06-05","17:54:39",""
"1561441","19.603","0.004","17.296","0.004","12.944","0.002","90","","123.107","0.007","90","","3676.2","1.3","100","","100","","","","","","","","see text","4","C 1 2/m 1","-C 2y","12","","","","- C60 H90 Al6 Cu8 -","- C60 H90 Al6 Cu8 -","- C120 H180 Al12 Cu16 -","2","0.25","","Schütz, Max; Gemel, Christian; Muhr, Maximilian; Jandl, Christian; Kahlal, Samia; Saillard, Jean-Yves; Fischer, Roland A.","Exploring Cu/Al cluster growth and reactivity: from embryonic building blocks to intermetalloid, open-shell superatoms.","Chemical science","2021","12","19","6588","6599","10.1039/d1sc00268f","","x-ray","0.71073","MoKα","","0.0816","0.079","","","0.2315","0.2361","","","","","","1.097","","","","has coordinates,has disorder","265910","2021-06-05","17:52:24",""
"1561442","10.6817","0.0008","10.6837","0.0008","15.0961","0.0012","75.703","0.002","72.18","0.002","60.202","0.002","1413.85","0.19","100","","100","","","","","","","","see text","4","P -1","-P 1","2","","","","- C30 H45 Al Cu2 -","- C30 H45 Al1.001 Cu2.002 -","- C60 H90 Al2.002 Cu4.004 -","2","1","","Schütz, Max; Gemel, Christian; Muhr, Maximilian; Jandl, Christian; Kahlal, Samia; Saillard, Jean-Yves; Fischer, Roland A.","Exploring Cu/Al cluster growth and reactivity: from embryonic building blocks to intermetalloid, open-shell superatoms.","Chemical science","2021","12","19","6588","6599","10.1039/d1sc00268f","","x-ray","0.71073","MoKα","","0.0405","0.0389","","","0.0872","0.0878","","","","","","1.269","","","","has coordinates,has disorder","265910","2021-06-05","17:52:25",""
"1561443","12.9999","0.0009","17.2545","0.0013","16.5285","0.0017","90","","97.741","0.0016","90","","3673.7","0.5","100","","100","","","","","","","","see text","4","I 1 2/m 1","-I 2y","12","","","","- C60 H90 Al6 Cu7.33 -","- C60 H90 Al6 Cu7.328 -","- C120 H180 Al12 Cu14.656 -","2","0.25","","Schütz, Max; Gemel, Christian; Muhr, Maximilian; Jandl, Christian; Kahlal, Samia; Saillard, Jean-Yves; Fischer, Roland A.","Exploring Cu/Al cluster growth and reactivity: from embryonic building blocks to intermetalloid, open-shell superatoms.","Chemical science","2021","12","19","6588","6599","10.1039/d1sc00268f","","x-ray","0.71073","MoKα","","0.0683","0.0572","","","0.1882","0.1974","","","","","","1.118","","","","has coordinates,has disorder","265910","2021-06-05","17:52:25",""
"1561444","14.6563","0.0011","25.306","0.002","19.6043","0.0016","90","","92.589","0.003","90","","7263.7","1","100","","100","","","","","","","","see text","4","P 1 21/n 1","-P 2yn","14","","","","- C59 H86 Al4 Cu4 -","- C59 H86 Al4 Cu4 -","- C236 H344 Al16 Cu16 -","4","1","","Schütz, Max; Gemel, Christian; Muhr, Maximilian; Jandl, Christian; Kahlal, Samia; Saillard, Jean-Yves; Fischer, Roland A.","Exploring Cu/Al cluster growth and reactivity: from embryonic building blocks to intermetalloid, open-shell superatoms.","Chemical science","2021","12","19","6588","6599","10.1039/d1sc00268f","","x-ray","0.71073","MoKα","","0.096","0.0718","","","0.1437","0.1499","","","","","","1.059","","","","has coordinates,has disorder","265910","2021-06-05","17:52:25",""
"1561473","24.986","0.002","41.24","0.004","25.1687","0.0019","90","","108.986","0.002","90","","24524","4","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C328 H616 N40 O216 P8 S0 V48 -","- C248 H388 N20 O192 P8 V48 -","- C496 H776 N40 O384 P16 V96 -","2","0.5","","Guo, Ji; Chang, Qing; Liu, Zhiwei; Wang, Yangming; Liu, Chuanhong; Wang, Mou; Huang, Danmeng; Chen, Guanying; Zhao, Hongmei; Wang, Wei; Fang, Xikui","How to not build a cage: endohedral functionalization of polyoxometalate-based metal-organic polyhedra.","Chemical science","2021","12","21","7361","7368","10.1039/d1sc01243f","","","0.71073","MoKα","","0.1038","0.0751","","","0.2301","0.2506","","","","","","1.1","","","","has coordinates","268619","2021-09-06","09:59:10",""
"1561474","24.986","0.0016","42.565","0.003","25.2167","0.0018","90","","109.572","0.002","90","","25269","3","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C369 H665 N31 O227 P8 S0 V48 -","- C252 H324 N18 O192 P8 V48 -","- C504 H648 N36 O384 P16 V96 -","2","0.5","","Guo, Ji; Chang, Qing; Liu, Zhiwei; Wang, Yangming; Liu, Chuanhong; Wang, Mou; Huang, Danmeng; Chen, Guanying; Zhao, Hongmei; Wang, Wei; Fang, Xikui","How to not build a cage: endohedral functionalization of polyoxometalate-based metal-organic polyhedra.","Chemical science","2021","12","21","7361","7368","10.1039/d1sc01243f","","","0.71073","MoKα","","0.2255","0.1215","","","0.296","0.3816","","","","","","1.03","","","","has coordinates","268619","2021-09-06","09:59:11",""
"1561475","39.096","0.007","26.059","0.005","29.242","0.005","90","","113.642","0.004","90","","27291","9","173","2","173","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C309 H610 Cl N23 O245 P8 V56 -","- C232 H376 Cl N5 O228 P8 V56 -","- C464 H752 Cl2 N10 O456 P16 V112 -","2","0.25","","Guo, Ji; Chang, Qing; Liu, Zhiwei; Wang, Yangming; Liu, Chuanhong; Wang, Mou; Huang, Danmeng; Chen, Guanying; Zhao, Hongmei; Wang, Wei; Fang, Xikui","How to not build a cage: endohedral functionalization of polyoxometalate-based metal-organic polyhedra.","Chemical science","2021","12","21","7361","7368","10.1039/d1sc01243f","","","0.71073","MoKα","","0.2048","0.133","","","0.3307","0.3952","","","","","","1.081","","","","has coordinates","268619","2021-09-06","09:59:11",""
"1561476","27.776","0.003","32.56","0.003","36.61","0.003","90","","105.89","0.003","90","","31844","5","173","2","173","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C156 H297 N11 O106 P4 S0 V24 -","- C124 H200 N4 O96 P4 V24 -","- C496 H800 N16 O384 P16 V96 -","4","1","","Guo, Ji; Chang, Qing; Liu, Zhiwei; Wang, Yangming; Liu, Chuanhong; Wang, Mou; Huang, Danmeng; Chen, Guanying; Zhao, Hongmei; Wang, Wei; Fang, Xikui","How to not build a cage: endohedral functionalization of polyoxometalate-based metal-organic polyhedra.","Chemical science","2021","12","21","7361","7368","10.1039/d1sc01243f","","","0.71073","MoKα","","0.0906","0.0721","","","0.2","0.2115","","","","","","1.048","","","","has coordinates,has disorder","268619","2021-09-06","09:59:11",""
"1561516","13.3643","0.0014","21.517","0.002","20.834","0.002","90","","94.905","0.003","90","","5969.1","1","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C66 H78 N4 O4 Pt2 -","- C66 H78 N4 O4 Pt2 -","- C264 H312 N16 O16 Pt8 -","4","1","","Pander, Piotr; Daniels, Ruth; Zaytsev, Andrey V.; Horn, Ashleigh; Sil, Amit; Penfold, Thomas J.; Williams, J. A. Gareth; Kozhevnikov, Valery N.; Dias, Fernando B.","Exceptionally fast radiative decay of a dinuclear platinum complex through thermally activated delayed fluorescence.","Chemical science","2021","12","17","6172","6180","10.1039/d1sc00160d","","x-ray","0.71073","MoKα","","0.1811","0.0762","","","0.1231","0.1499","","","","","","1.007","","","","has coordinates","265909","2021-06-05","17:51:54",""
"1561583","10.5126","0.0012","13.2993","0.0015","13.3298","0.0015","88.442","0.003","84.692","0.003","69.641","0.003","1739.7","0.3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C52 H28 N4 -","- C52 H28 N4 -","- C104 H56 N8 -","2","1","","Leith, Gabrielle A.; Rice, Allison M.; Yarbrough, Brandon J.; Kittikhunnatham, Preecha; Mathur, Abhijai; Morris, Nicholas A.; Francis, Megan J.; Berseneva, Anna A.; Dhull, Poonam; Adams, Richard D.; Bobo, M. Victoria; Vannucci, Aaron A.; Smith, Mark D.; Garashchuk, Sophya; Shustova, Natalia B.","""Broken-hearted"" carbon bowl <i>via</i> electron shuttle reaction: energetics and electron coupling.","Chemical science","2021","12","19","6600","6606","10.1039/d0sc06755e","","x-ray","0.71073","MoKα","","0.1261","0.0622","","","0.1365","0.1637","","","","","","1.019","","","","has coordinates,has disorder","265911","2021-06-05","17:52:39",""
"1561584","6.9885","0.0003","10.0688","0.0004","14.6611","0.0005","90","","103.589","0.001","90","","1002.76","0.07","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H14 N4 -","- C28 H14 N4 -","- C56 H28 N8 -","2","0.5","","Leith, Gabrielle A.; Rice, Allison M.; Yarbrough, Brandon J.; Kittikhunnatham, Preecha; Mathur, Abhijai; Morris, Nicholas A.; Francis, Megan J.; Berseneva, Anna A.; Dhull, Poonam; Adams, Richard D.; Bobo, M. Victoria; Vannucci, Aaron A.; Smith, Mark D.; Garashchuk, Sophya; Shustova, Natalia B.","""Broken-hearted"" carbon bowl <i>via</i> electron shuttle reaction: energetics and electron coupling.","Chemical science","2021","12","19","6600","6606","10.1039/d0sc06755e","","x-ray","0.71073","MoKα","","0.0576","0.0376","","","0.0856","0.0935","","","","","","1.037","","","","has coordinates","265911","2021-06-05","17:52:40",""
"1561585","5.0524","0.0004","15.7417","0.0011","15.791","0.0011","90","","90","","90","","1255.91","0.16","100","2","100","2","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- C19 H16 -","- C19 H16 -","- C76 H64 -","4","1","","Leith, Gabrielle A.; Rice, Allison M.; Yarbrough, Brandon J.; Kittikhunnatham, Preecha; Mathur, Abhijai; Morris, Nicholas A.; Francis, Megan J.; Berseneva, Anna A.; Dhull, Poonam; Adams, Richard D.; Bobo, M. Victoria; Vannucci, Aaron A.; Smith, Mark D.; Garashchuk, Sophya; Shustova, Natalia B.","""Broken-hearted"" carbon bowl <i>via</i> electron shuttle reaction: energetics and electron coupling.","Chemical science","2021","12","19","6600","6606","10.1039/d0sc06755e","","x-ray","0.71073","MoKα","","0.0646","0.0451","","","0.0924","0.0988","","","","","","1.065","","","","has coordinates","265911","2021-06-05","17:52:40",""
"1561586","18.41","0.003","11.5059","0.0017","12.1836","0.0018","90","","109.148","0.004","90","","2438","0.6","100","2","100","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C19 H12 -","- C19 H12 -","- C152 H96 -","8","2","","Leith, Gabrielle A.; Rice, Allison M.; Yarbrough, Brandon J.; Kittikhunnatham, Preecha; Mathur, Abhijai; Morris, Nicholas A.; Francis, Megan J.; Berseneva, Anna A.; Dhull, Poonam; Adams, Richard D.; Bobo, M. Victoria; Vannucci, Aaron A.; Smith, Mark D.; Garashchuk, Sophya; Shustova, Natalia B.","""Broken-hearted"" carbon bowl <i>via</i> electron shuttle reaction: energetics and electron coupling.","Chemical science","2021","12","19","6600","6606","10.1039/d0sc06755e","","x-ray","0.71073","MoKα","","0.1942","0.1351","","","0.4055","0.4548","","","","","","2.077","","","","has coordinates,has disorder","265911","2021-06-05","17:52:40",""
"1561587","9.8601","0.0004","9.0281","0.0004","16.8983","0.0006","90","","90","","90","","1504.25","0.1","100","2","100","2","","","","","","","","2","P n a 21","P 2c -2n","33","","","","- C21 H20 -","- C21 H20 -","- C84 H80 -","4","1","","Leith, Gabrielle A.; Rice, Allison M.; Yarbrough, Brandon J.; Kittikhunnatham, Preecha; Mathur, Abhijai; Morris, Nicholas A.; Francis, Megan J.; Berseneva, Anna A.; Dhull, Poonam; Adams, Richard D.; Bobo, M. Victoria; Vannucci, Aaron A.; Smith, Mark D.; Garashchuk, Sophya; Shustova, Natalia B.","""Broken-hearted"" carbon bowl <i>via</i> electron shuttle reaction: energetics and electron coupling.","Chemical science","2021","12","19","6600","6606","10.1039/d0sc06755e","","x-ray","0.71073","MoKα","","0.0619","0.049","","","0.1159","0.122","","","","","","1.054","","","","has coordinates","265911","2021-06-05","17:52:40",""
"1562005","9.138","0.0011","13.8136","0.0018","15.8299","0.0019","90","","90","","90","","1998.2","0.4","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H30 N2 O -","- C24 H30 N2 O -","- C96 H120 N8 O4 -","4","1","","Panahi, Farhad; Khosravi, Hormoz; Bauer, Felix; Breit, Bernhard","Asymmetric hydroalkylation of alkynes and allenes with imidazolidinone derivatives: α-alkenylation of α-amino acids","Chemical Science","2021","12","21","7388","7392","10.1039/D1SC00240F","","","0.71073","MoKα","","0.0609","0.0431","","","0.0843","0.0917","","","","","","1.058","","","","has coordinates","265936","2021-06-05","18:02:53",""
"1562057","9.2424","0.0003","8.7534","0.0003","15.2178","0.0004","90","","96.784","0.001","90","","1222.54","0.07","300","2","300","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H30 O5 S Si -","- C23 H30 O5 S Si -","- C46 H60 O10 S2 Si2 -","2","1","","Guan, Mingming; Wang, Shiyu; Luo, Yao; Cao, Weidi; Liu, Xiaohua; Feng, Xiaoming","Catalytic asymmetric addition of thiols to silyl glyoxylates for synthesis of multi-hetero-atom substituted carbon stereocenters.","Chemical science","2021","12","21","7498","7503","10.1039/d1sc01096d","","","1.54178","CuKα","","0.0244","0.024","","","0.0656","0.0659","","","","","","1.071","","","","has coordinates","268620","2021-09-06","10:02:30",""
"1562058","11.9751","0.0005","20.8149","0.0009","12.9319","0.0006","90","","106.231","0.001","90","","3094.9","0.2","140","2","140","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C49 H78 F9 N4 O17 S3 Y -","- C49 H78 F9 N4 O17 S3 Y -","- C98 H156 F18 N8 O34 S6 Y2 -","2","1","","Guan, Mingming; Wang, Shiyu; Luo, Yao; Cao, Weidi; Liu, Xiaohua; Feng, Xiaoming","Catalytic asymmetric addition of thiols to silyl glyoxylates for synthesis of multi-hetero-atom substituted carbon stereocenters.","Chemical science","2021","12","21","7498","7503","10.1039/d1sc01096d","","","1.54178","CuKα","","0.0267","0.0265","","","0.0701","0.0702","","","","","","1.05","","","","has coordinates","268620","2021-09-06","10:02:31",""
"1562115","10.0914","0.0001","9.9851","0.0001","10.5204","0.0001","90","","92.72","0.001","90","","1058.88","0.018","123","2","123","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H21.53 N3 O7 P -","- C18 H21.53 N3 O7 P -","- C36 H43.06 N6 O14 P2 -","2","1","","Kaasik, Mikk; Martõnova, Jevgenija; Erkman, Kristin; Metsala, Andrus; Järving, Ivar; Kanger, Tõnis","Enantioselective Michael addition to vinyl phosphonates <i>via</i> hydrogen bond-enhanced halogen bond catalysis.","Chemical science","2021","12","21","7561","7568","10.1039/d1sc01029h","","x-ray","1.54184","CuKα","","0.0351","0.0351","","","0.094","0.094","","","","","","1.046","","","","has coordinates,has disorder","268625","2021-09-06","10:07:00",""
"1562116","26.3005","0.0016","46.071","0.003","30.4842","0.0018","90","","91.29","0.004","90","","36928","4","100","2","100","","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C554 H856 B3 Cs3 F72 N109 O90.25 Si40 -","- C554 H856 B3 Cs3 F72 N109 O90.25 Si40 -","- C1108 H1712 B6 Cs6 F144 N218 O180.5 Si80 -","2","1","","Liu, Mengjia; He, Ying; Shan, Chuan; Wojtas, Lukasz; Ghiviriga, Ion; Fathalla, Omar; Yan, Yu; Li, Xiaopeng; Shi, Xiaodong","Anion mediated, tunable isoguanosine self-assemblies: decoding the conformation influence and solvent effects.","Chemical science","2021","12","21","7569","7574","10.1039/d1sc00988e","","","1.54178","CuKα","","0.1252","0.1013","","","0.2578","0.2823","","","","","","1.04","","","","has coordinates,has disorder","268617","2021-09-06","09:56:25",""
"1562117","9.0849","0.0004","21.33","0.001","23.003","0.001","90","","90","","90","","4457.5","0.3","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 Cl N5 O5.5 -","- C20 H24 Cl N5 O5.5 -","- C160 H192 Cl8 N40 O44 -","8","2","","Liu, Mengjia; He, Ying; Shan, Chuan; Wojtas, Lukasz; Ghiviriga, Ion; Fathalla, Omar; Yan, Yu; Li, Xiaopeng; Shi, Xiaodong","Anion mediated, tunable isoguanosine self-assemblies: decoding the conformation influence and solvent effects.","Chemical science","2021","12","21","7569","7574","10.1039/d1sc00988e","","","1.54178","CuKα","","0.0276","0.026","","","0.0636","0.0647","","","","","","1.023","","","","has coordinates,has disorder","268617","2021-09-06","09:56:26",""
"1562118","64.413","0.002","7.1861","0.0002","22.2867","0.0007","90","","99.221","0.001","90","","10182.7","0.5","115","2","115","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C28.69 H47.76 N5 O4.94 Si2 -","- C28.6913 H47.7653 N5 O4.94133 Si2 -","- C344.296 H573.184 N60 O59.296 Si24 -","12","3","","Liu, Mengjia; He, Ying; Shan, Chuan; Wojtas, Lukasz; Ghiviriga, Ion; Fathalla, Omar; Yan, Yu; Li, Xiaopeng; Shi, Xiaodong","Anion mediated, tunable isoguanosine self-assemblies: decoding the conformation influence and solvent effects.","Chemical science","2021","12","21","7569","7574","10.1039/d1sc00988e","","","1.54178","CuKα","","0.0746","0.0646","","","0.1792","0.1909","","","","","","1.024","","","","has coordinates,has disorder","268617","2021-09-06","09:56:26",""
"1562119","11.1651","0.0007","10.4907","0.0006","12.5832","0.0006","90","","94.045","0.006","90","","1470.2","0.14","99.95","0.13","99.95","0.13","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 B N3 O4 -","- C15 H16 B N3 O4 -","- C60 H64 B4 N12 O16 -","4","1","","Lin, Shengjia; Wang, Lucia; Sharma, Abhishek","Acrylic boronate: a multifunctional C3 building block for catalytic synthesis of rare organoborons and chemoselective heterobifunctional ligations.","Chemical science","2021","12","22","7924","7929","10.1039/d1sc00905b","","x-ray","1.54184","CuKα","","0.0884","0.0531","","","0.0946","0.0991","","","","","","1.024","","","","has coordinates","268618","2021-09-06","09:57:52",""
"1562120","17.1144","0.0019","9.3148","0.0009","12.0484","0.0017","90","","94.91","0.011","90","","1913.7","0.4","292.9","0.5","292.9","0.5","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 B N3 O4 -","- C20 H18 B N3 O4 -","- C80 H72 B4 N12 O16 -","4","1","","Lin, Shengjia; Wang, Lucia; Sharma, Abhishek","Acrylic boronate: a multifunctional C3 building block for catalytic synthesis of rare organoborons and chemoselective heterobifunctional ligations.","Chemical science","2021","12","22","7924","7929","10.1039/d1sc00905b","","x-ray","1.54184","CuKα","","0.1838","0.0929","","","0.232","0.2818","","","","","","1.017","","","","has coordinates","268618","2021-09-06","09:57:52",""
"1562121","13.63","0.002","15.952","0.002","19.288","0.003","86.368","0.004","88.416","0.004","78.854","0.003","4105.8","1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C82 H102 Au2 Br N8 O4 -","- C82 H102 Au2 Br N8 O4 -","- C164 H204 Au4 Br2 N16 O8 -","2","1","","Sen, Sajal; Perrin, Mark W.; Sedgwick, Adam C.; Lynch, Vincent M.; Sessler, Jonathan L.; Arambula, Jonathan F.","Covalent and non-covalent albumin binding of Au(i) bis-NHCs <i>via</i> post-synthetic amide modification.","Chemical science","2021","12","21","7547","7553","10.1039/d1sc01055g","","","0.71073","MoKα","","0.0439","0.0387","","","0.1014","0.1048","","","","","","1.031","","","","has coordinates,has disorder","268621","2021-09-06","10:05:17",""
"1562122","11.0894","0.0003","18.0488","0.0004","24.6597","0.0005","101.631","0.0018","93.6495","0.0019","101.64","0.002","4706.8","0.2","100.04","0.11","100.04","0.11","","","","","","","","7","P -1","-P 1","2","","","","- C43 H57 Au F6 N5 O2 P -","- C43 H57 Au F6 N5 O2 P -","- C172 H228 Au4 F24 N20 O8 P4 -","4","2","","Sen, Sajal; Perrin, Mark W.; Sedgwick, Adam C.; Lynch, Vincent M.; Sessler, Jonathan L.; Arambula, Jonathan F.","Covalent and non-covalent albumin binding of Au(i) bis-NHCs <i>via</i> post-synthetic amide modification.","Chemical science","2021","12","21","7547","7553","10.1039/d1sc01055g","","x-ray","1.54184","CuKα","","0.0555","0.047","","","0.1219","0.1304","","","","","","1.025","","","","has coordinates,has disorder","268621","2021-09-06","10:05:17",""
"1562123","11.3001","0.0003","50.4909","0.0013","17.6766","0.0004","90","","100.564","0.002","90","","9914.5","0.4","100","0.1","100","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C45 H59 Au F6 N5 O2 P -","- C45 H59 Au F6 N5 O2 P -","- C360 H472 Au8 F48 N40 O16 P8 -","8","4","","Sen, Sajal; Perrin, Mark W.; Sedgwick, Adam C.; Lynch, Vincent M.; Sessler, Jonathan L.; Arambula, Jonathan F.","Covalent and non-covalent albumin binding of Au(i) bis-NHCs <i>via</i> post-synthetic amide modification.","Chemical science","2021","12","21","7547","7553","10.1039/d1sc01055g","","x-ray","1.54184","CuKα","","0.0922","0.0615","","","0.1375","0.1499","","","","","","1.032","","","","has coordinates,has disorder","268621","2021-09-06","10:05:17",""
"1562124","11.0621","0.0002","18.0164","0.0003","25.9531","0.0005","102.579","0.002","92.799","0.001","98.359","0.001","4977.26","0.16","100.04","0.11","100.04","0.11","","","","","","","","8","P -1","-P 1","2","","","","- C95 H118 Au2 Cl2 F12 N12 O6 P2 -","- C95 H118 Au2 Cl2 F12 N12 O6 P2 -","- C190 H236 Au4 Cl4 F24 N24 O12 P4 -","2","1","","Sen, Sajal; Perrin, Mark W.; Sedgwick, Adam C.; Lynch, Vincent M.; Sessler, Jonathan L.; Arambula, Jonathan F.","Covalent and non-covalent albumin binding of Au(i) bis-NHCs <i>via</i> post-synthetic amide modification.","Chemical science","2021","12","21","7547","7553","10.1039/d1sc01055g","","x-ray","1.54184","CuKα","","0.0425","0.0364","","","0.0891","0.094","","","","","","1.047","","","","has coordinates,has disorder","268621","2021-09-06","10:05:17",""
"1562166","6.256","0.0003","7.6732","0.0003","28.1296","0.0008","90","","90","","90","","1350.32","0.09","300","","300","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 O2 S -","- C16 H14 O2 S -","- C64 H56 O8 S4 -","4","1","","McNamee, Ryan E.; Haugland, Marius M.; Nugent, Jeremy; Chan, Rachel; Christensen, Kirsten E.; Anderson, Edward A.","Synthesis of 1,3-disubstituted bicyclo[1.1.0]butanes <i>via</i> directed bridgehead functionalization.","Chemical science","2021","12","21","7480","7485","10.1039/d1sc01836a","","","1.54184","CuKα","","0.0389","0.0343","","0.0947","0.0884","0.0943","","","","","","1.0021","","","","has coordinates","268622","2021-09-06","10:05:32",""
"1562167","7.5201","0.0002","6.1363","0.0002","29.1109","0.0007","90","","93.778","0.002","90","","1340.42","0.07","150","","150","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C16 H13 F O2 S -","- C16 H13 F O2 S -","- C64 H52 F4 O8 S4 -","4","2","","McNamee, Ryan E.; Haugland, Marius M.; Nugent, Jeremy; Chan, Rachel; Christensen, Kirsten E.; Anderson, Edward A.","Synthesis of 1,3-disubstituted bicyclo[1.1.0]butanes <i>via</i> directed bridgehead functionalization.","Chemical science","2021","12","21","7480","7485","10.1039/d1sc01836a","","","1.54184","CuKα","","0.0318","0.0295","","0.0754","0.0734","0.0754","","","","","","1.0019","","","","has coordinates","268622","2021-09-06","10:05:33",""
"1562168","7.2283","0.0001","19.7499","0.0001","21.8837","0.0001","90","","90.439","0.0005","90","","3123.99","0.05","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 O4 S -","- C18 H16 O4 S -","- C144 H128 O32 S8 -","8","2","","McNamee, Ryan E.; Haugland, Marius M.; Nugent, Jeremy; Chan, Rachel; Christensen, Kirsten E.; Anderson, Edward A.","Synthesis of 1,3-disubstituted bicyclo[1.1.0]butanes <i>via</i> directed bridgehead functionalization.","Chemical science","2021","12","21","7480","7485","10.1039/d1sc01836a","","","1.54184","CuKα","","0.0298","0.0285","","0.0832","0.082","0.0832","","","","","","0.9991","","","","has coordinates","268622","2021-09-06","10:05:33",""
"1562169","6.1993","0.0001","22.8971","0.0003","27.5542","0.0003","90","","90","","90","","3911.21","0.09","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 O2 S -","- C16 H14 O2 S -","- C192 H168 O24 S12 -","12","3","","McNamee, Ryan E.; Haugland, Marius M.; Nugent, Jeremy; Chan, Rachel; Christensen, Kirsten E.; Anderson, Edward A.","Synthesis of 1,3-disubstituted bicyclo[1.1.0]butanes <i>via</i> directed bridgehead functionalization.","Chemical science","2021","12","21","7480","7485","10.1039/d1sc01836a","","","1.54184","CuKα","","0.0342","0.0314","","0.0824","0.0783","0.0824","","","","","","1.0069","","","","has coordinates","268622","2021-09-06","10:05:33",""
"1562170","5.9144","0.0001","16.5154","0.0002","14.7712","0.0002","90","","95.2702","0.0014","90","","1436.73","0.04","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H16 O2 S -","- C17 H16 O2 S -","- C68 H64 O8 S4 -","4","1","","McNamee, Ryan E.; Haugland, Marius M.; Nugent, Jeremy; Chan, Rachel; Christensen, Kirsten E.; Anderson, Edward A.","Synthesis of 1,3-disubstituted bicyclo[1.1.0]butanes <i>via</i> directed bridgehead functionalization.","Chemical science","2021","12","21","7480","7485","10.1039/d1sc01836a","","","1.54184","CuKα","","0.0308","0.0295","","0.082","0.0806","0.082","","","","","","1.0022","","","","has coordinates","268622","2021-09-06","10:05:33",""
"1562171","10.6905","0.0002","12.9017","0.0001","11.275","0.0001","90","","99.604","0.001","90","","1533.32","0.03","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H22 O4 -","- C17 H22 O4 -","- C68 H88 O16 -","4","2","","Hou, Min; Xu, Mengmeng; Yang, Baochao; He, Haibing; Gao, Shuanhu","Construction of polycyclic structures with vicinal all-carbon quaternary stereocenters <i>via</i> an enantioselective photoenolization/Diels-Alder reaction.","Chemical science","2021","12","21","7575","7582","10.1039/d1sc00883h","","x-ray","1.54184","CuKα","","0.039","0.0372","","","0.1012","0.1026","","","","","","1.059","","","","has coordinates","275856","2022-06-07","07:08:28",""
"1562172","10.0882","0.0002","11.6472","0.0002","14.4851","0.0003","101.004","0.002","106.6","0.002","96.185","0.002","1577.07","0.06","100","0.1","100","0.1","","","","","","","","3","P 1","P 1","1","","","","- C18 H24 O4 -","- C18 H24 O4 -","- C72 H96 O16 -","4","4","","Hou, Min; Xu, Mengmeng; Yang, Baochao; He, Haibing; Gao, Shuanhu","Construction of polycyclic structures with vicinal all-carbon quaternary stereocenters <i>via</i> an enantioselective photoenolization/Diels-Alder reaction.","Chemical science","2021","12","21","7575","7582","10.1039/d1sc00883h","","x-ray","1.54184","CuKα","","0.0361","0.0353","","","0.0928","0.0933","","","","","","1.068","","","","has coordinates","275856","2022-06-07","07:08:28",""
"1562173","8.7363","0.0001","7.5297","0.0001","13.3695","0.0002","90","","90.32","0.001","90","","879.45","0.02","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H28 O4 -","- C20 H28 O4 -","- C40 H56 O8 -","2","1","","Hou, Min; Xu, Mengmeng; Yang, Baochao; He, Haibing; Gao, Shuanhu","Construction of polycyclic structures with vicinal all-carbon quaternary stereocenters <i>via</i> an enantioselective photoenolization/Diels-Alder reaction.","Chemical science","2021","12","21","7575","7582","10.1039/d1sc00883h","","x-ray","1.54184","CuKα","","0.0267","0.0266","","","0.0687","0.0688","","","","","","1.035","","","","has coordinates","268624","2021-09-06","10:06:47",""
"1562174","8.1066","0.0001","17.4846","0.0002","11.7095","0.0001","90","","90.935","0.001","90","","1659.49","0.03","100.01","0.1","100.01","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H24 O4 -","- C19 H24 O4 -","- C76 H96 O16 -","4","2","","Hou, Min; Xu, Mengmeng; Yang, Baochao; He, Haibing; Gao, Shuanhu","Construction of polycyclic structures with vicinal all-carbon quaternary stereocenters <i>via</i> an enantioselective photoenolization/Diels-Alder reaction.","Chemical science","2021","12","21","7575","7582","10.1039/d1sc00883h","","x-ray","1.54184","CuKα","","0.044","0.0432","","","0.1165","0.1174","","","","","","1.052","","","","has coordinates","275856","2022-06-07","07:08:28",""
"1562175","6.8205","0.0002","17.9401","0.0003","6.9699","0.0002","90","","116.508","0.003","90","","763.18","0.04","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H24 O4 -","- C18 H24 O4 -","- C36 H48 O8 -","2","1","","Hou, Min; Xu, Mengmeng; Yang, Baochao; He, Haibing; Gao, Shuanhu","Construction of polycyclic structures with vicinal all-carbon quaternary stereocenters <i>via</i> an enantioselective photoenolization/Diels-Alder reaction.","Chemical science","2021","12","21","7575","7582","10.1039/d1sc00883h","","x-ray","1.54184","CuKα","","0.0391","0.0377","","","0.0997","0.1007","","","","","","1.026","","","","has coordinates","268624","2021-09-06","10:06:47",""
"1562176","8.0972","0.0001","7.0855","0.0001","13.1638","0.0002","90","","107.604","0.001","90","","719.875","0.018","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H22 O4 -","- C16 H22 O4 -","- C32 H44 O8 -","2","1","","Hou, Min; Xu, Mengmeng; Yang, Baochao; He, Haibing; Gao, Shuanhu","Construction of polycyclic structures with vicinal all-carbon quaternary stereocenters <i>via</i> an enantioselective photoenolization/Diels-Alder reaction.","Chemical science","2021","12","21","7575","7582","10.1039/d1sc00883h","","x-ray","1.54184","CuKα","","0.0268","0.0267","","","0.0708","0.0709","","","","","","1.025","","","","has coordinates","268624","2021-09-06","10:06:47",""
"1562177","11.3066","0.0001","8.3782","0.0001","20.2485","0.0002","90","","96.507","0.001","90","","1905.76","0.03","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C46 H52 O8 -","- C46 H52 O8 -","- C92 H104 O16 -","2","1","","Hou, Min; Xu, Mengmeng; Yang, Baochao; He, Haibing; Gao, Shuanhu","Construction of polycyclic structures with vicinal all-carbon quaternary stereocenters <i>via</i> an enantioselective photoenolization/Diels-Alder reaction.","Chemical science","2021","12","21","7575","7582","10.1039/d1sc00883h","","x-ray","1.54184","CuKα","","0.0542","0.0527","","","0.1328","0.1344","","","","","","1.048","","","","has coordinates,has disorder","268624","2021-09-06","10:06:47",""
"1562178","9.2554","0.0002","19.3711","0.0003","10.2742","0.0002","90","","115.9","0.002","90","","1657.02","0.06","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H26 O4 -","- C19 H26 O4 -","- C76 H104 O16 -","4","2","","Hou, Min; Xu, Mengmeng; Yang, Baochao; He, Haibing; Gao, Shuanhu","Construction of polycyclic structures with vicinal all-carbon quaternary stereocenters <i>via</i> an enantioselective photoenolization/Diels-Alder reaction.","Chemical science","2021","12","21","7575","7582","10.1039/d1sc00883h","","x-ray","1.54184","CuKα","","0.0386","0.0376","","","0.1018","0.1025","","","","","","1.061","","","","has coordinates","275856","2022-06-07","07:08:28",""
"1562179","10.533","0.0001","32.5011","0.0002","12.4209","0.0001","90","","111.317","0.001","90","","3961.18","0.06","100.01","0.11","100.01","0.11","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C78 H43 F48 O8 -","- C78 H43 F48 O8 -","- C156 H86 F96 O16 -","2","1","","Hou, Min; Xu, Mengmeng; Yang, Baochao; He, Haibing; Gao, Shuanhu","Construction of polycyclic structures with vicinal all-carbon quaternary stereocenters <i>via</i> an enantioselective photoenolization/Diels-Alder reaction.","Chemical science","2021","12","21","7575","7582","10.1039/d1sc00883h","","x-ray","1.54184","CuKα","","0.046","0.0454","","","0.1127","0.1131","","","","","","1.024","","","","has coordinates,has disorder","268624","2021-09-06","10:06:47",""
"1562180","17.7407","0.0001","27.9256","0.0002","27.9774","0.0002","90","","90","","90","","13860.5","0.16","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C67 H102 O4 -","- C67 H102 O4 -","- C536 H816 O32 -","8","2","","Hou, Min; Xu, Mengmeng; Yang, Baochao; He, Haibing; Gao, Shuanhu","Construction of polycyclic structures with vicinal all-carbon quaternary stereocenters <i>via</i> an enantioselective photoenolization/Diels-Alder reaction.","Chemical science","2021","12","21","7575","7582","10.1039/d1sc00883h","","x-ray","1.54184","CuKα","","0.0452","0.0413","","","0.1007","0.1029","","","","","","1.025","","","","has coordinates","275856","2022-06-07","07:08:28",""
"1562231","13.2525","0.0009","18.3533","0.0012","15.0527","0.0009","90","","96.635","0.002","90","","3636.7","0.4","100","","100","","","","","","","","see text","8","P 1 21/n 1","-P 2yn","14","","","","- C35 H35 Cl2 F3 N8 O3 S Zn -","- C35 H35 Cl2 F3 N8 O3 S Zn -","- C140 H140 Cl8 F12 N32 O12 S4 Zn4 -","4","1","","Lauenstein, Raphael; Mader, Sophie L.; Derondeau, Henrieta; Esezobor, Oaikhena Z.; Block, Matthias; Römer, Armin J; Jandl, Christian; Riedle, Eberhard; Kaila, Ville R. I.; Hauer, Jürgen; Thyrhaug, Erling; Hess, Corinna R.","The central role of the metal ion for photoactivity: Zn- <i>vs.</i> Ni-Mabiq.","Chemical science","2021","12","21","7521","7532","10.1039/d0sc06096h","","x-ray","0.71073","MoKα","","0.0397","0.0309","","","0.0702","0.0742","","","","","","1.03","","","","has coordinates,has disorder","268623","2021-09-06","10:06:02",""
"1562299","10.4749","0.0002","16.5319","0.0004","23.0359","0.0007","90","","93.007","0.001","90","","3983.63","0.17","90","0.2","90","0.2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C44 H39 Au Cl2 N2 O2 P2 -","- C44 H39 Au Cl2 N2 O2 P2 -","- C176 H156 Au4 Cl8 N8 O8 P8 -","4","1","","Kim, Jong Hyun; Ofori, Samuel; Parkin, Sean; Vekaria, Hemendra; Sullivan, Patrick G.; Awuah, Samuel G.","Anticancer gold(iii)-bisphosphine complex alters the mitochondrial electron transport chain to induce <i>in vivo</i> tumor inhibition.","Chemical science","2021","12","21","7467","7479","10.1039/d1sc01418h","","","0.71073","MoKα","","0.0371","0.0249","","","0.0419","0.0451","","","","","","1.035","","","","has coordinates,has disorder","268626","2021-09-06","10:08:14",""
"1562300","12.0282","0.0006","16.7453","0.0008","20.3891","0.0011","97.253","0.002","95.135","0.002","90.405","0.002","4056.8","0.4","90","0.2","90","0.2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H32 Au Cl2 N O P2 -","- C42 H32 Au Cl2 N O P2 -","- C168 H128 Au4 Cl8 N4 O4 P8 -","4","2","","Kim, Jong Hyun; Ofori, Samuel; Parkin, Sean; Vekaria, Hemendra; Sullivan, Patrick G.; Awuah, Samuel G.","Anticancer gold(iii)-bisphosphine complex alters the mitochondrial electron transport chain to induce <i>in vivo</i> tumor inhibition.","Chemical science","2021","12","21","7467","7479","10.1039/d1sc01418h","","","0.71073","MoKα","","0.0727","0.0529","","","0.155","0.1696","","","","","","1.058","","","","has coordinates","268626","2021-09-06","10:08:15",""
"1562301","10.4667","0.0002","16.4519","0.0004","23.6049","0.0006","90","","96.182","0.001","90","","4041.06","0.16","90","0.2","90","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H33 Au Cl2 N2 P2 -","- C41 H33 Au Cl2 N2 P2 -","- C164 H132 Au4 Cl8 N8 P8 -","4","1","","Kim, Jong Hyun; Ofori, Samuel; Parkin, Sean; Vekaria, Hemendra; Sullivan, Patrick G.; Awuah, Samuel G.","Anticancer gold(iii)-bisphosphine complex alters the mitochondrial electron transport chain to induce <i>in vivo</i> tumor inhibition.","Chemical science","2021","12","21","7467","7479","10.1039/d1sc01418h","","","0.71073","MoKα","","0.0207","0.018","","","0.0402","0.0409","","","","","","1.087","","","","has coordinates","268626","2021-09-06","10:08:15",""
"1562302","13.5131","0.0003","16.8347","0.0004","18.5104","0.0004","90","","90","","90","","4210.91","0.16","90","0.2","90","0.2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C44 H42 Au Cl2 N O2 P2 -","- C44 H42 Au Cl2 N O2 P2 -","- C176 H168 Au4 Cl8 N4 O8 P8 -","4","1","","Kim, Jong Hyun; Ofori, Samuel; Parkin, Sean; Vekaria, Hemendra; Sullivan, Patrick G.; Awuah, Samuel G.","Anticancer gold(iii)-bisphosphine complex alters the mitochondrial electron transport chain to induce <i>in vivo</i> tumor inhibition.","Chemical science","2021","12","21","7467","7479","10.1039/d1sc01418h","","","0.71073","MoKα","","0.0245","0.0214","","","0.0454","0.0465","","","","","","1.073","","","","has coordinates","268626","2021-09-06","10:08:15",""
"1562555","14.4656","0.0001","14.4656","0.0001","14.4656","0.0001","90","","90","","90","","3026.98","0.04","25","","25","","","","","","","","","5","I 2 3","I 2 2 3","197","","","","- Al24 K6.35 O96 P16.36 Si7.64 -","- Al24 K6.3544 O96 P16.3632 Si7.6368 -","- Al24 K6.3544 O96 P16.3632 Si7.6368 -","1","0.0416667","","Wang, Xiaohe; Yan, Nana; Xie, Miao; Liu, Puxu; Bai, Pu; Su, Haopeng; Wang, Binyu; Wang, Yunzheng; Li, Libo; Cheng, Tao; Guo, Peng; Yan, Wenfu; Yu, Jihong","The inorganic cation-tailored “trapdoor” effect of silicoaluminophosphate zeolite for highly selective CO2 separation","Chemical Science","2021","12","25","8803","8810","10.1039/D1SC00619C","powder diffraction","x-ray","1.5406","CuKa1","","","","","","","","","0.01775","3.3713","","","","","","","has coordinates","267088","2021-07-05","16:55:16",""
"1562556","14.472","0.0002","14.472","0.0002","14.472","0.0002","90","","90","","90","","3031","0.07","25","","25","","","","","","","","","5","I 2 3","I 2 2 3","197","","","","- Al24 Na7.9 O96 P16.36 Si7.64 -","- Al24 Na7.896 O96 P16.3584 Si7.6416 -","- Al24 Na7.896 O96 P16.3584 Si7.6416 -","1","0.0416667","","Wang, Xiaohe; Yan, Nana; Xie, Miao; Liu, Puxu; Bai, Pu; Su, Haopeng; Wang, Binyu; Wang, Yunzheng; Li, Libo; Cheng, Tao; Guo, Peng; Yan, Wenfu; Yu, Jihong","The inorganic cation-tailored “trapdoor” effect of silicoaluminophosphate zeolite for highly selective CO2 separation","Chemical Science","2021","12","25","8803","8810","10.1039/D1SC00619C","powder diffraction","x-ray","1.5406","CuKa1","","","","","","","","","0.00658","1.5266","","","","","","","has coordinates","267088","2021-07-05","16:55:16",""
"1562557","14.6832","0.0002","14.6832","0.0002","14.6832","0.0002","90","","90","","90","","3165.64","0.07","25","","25","","","","","","","","","5","I 2 3","I 2 2 3","197","","","","- Al24 Cs6.6 O96 P16.26 Si7.74 -","- Al24 Cs6.6 O96 P16.2552 Si7.7448 -","- Al24 Cs6.6 O96 P16.2552 Si7.7448 -","1","0.0416667","","Wang, Xiaohe; Yan, Nana; Xie, Miao; Liu, Puxu; Bai, Pu; Su, Haopeng; Wang, Binyu; Wang, Yunzheng; Li, Libo; Cheng, Tao; Guo, Peng; Yan, Wenfu; Yu, Jihong","The inorganic cation-tailored “trapdoor” effect of silicoaluminophosphate zeolite for highly selective CO2 separation","Chemical Science","2021","12","25","8803","8810","10.1039/D1SC00619C","powder diffraction","x-ray","1.5406","CuKa1","","","","","","","","","0.05352","4.2486","","","","","","","has coordinates","267088","2021-07-05","16:55:16",""
"1562558","14.6833","0.0002","14.6833","0.0002","14.6833","0.0002","90","","90","","90","","3165.71","0.07","25","","25","","","","","","","","","5","I 2 3","I 2 2 3","197","","","","- Al24 Cs6.6 O157.98 P16.26 Si7.74 -","- Al24 Cs6.5992 O157.984 P16.2552 Si7.7448 -","- Al24 Cs6.5992 O157.984 P16.2552 Si7.7448 -","1","0.0416667","","Wang, Xiaohe; Yan, Nana; Xie, Miao; Liu, Puxu; Bai, Pu; Su, Haopeng; Wang, Binyu; Wang, Yunzheng; Li, Libo; Cheng, Tao; Guo, Peng; Yan, Wenfu; Yu, Jihong","The inorganic cation-tailored “trapdoor” effect of silicoaluminophosphate zeolite for highly selective CO2 separation","Chemical Science","2021","12","25","8803","8810","10.1039/D1SC00619C","powder diffraction","x-ray","1.5406","CuKa1","","","","","","","","","0.02336","2.1844","","","","","","","has coordinates","267088","2021-07-05","16:55:16",""
"1563141","15.66789","0.00014","17.47136","0.00016","24.16489","0.00019","90","","93.6596","0.0008","90","","6601.39","0.1","140","0.1","140","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C50 H100 K N5 O6 Si6 U -","- C50 H100 K N5 O6 Si6 U -","- C200 H400 K4 N20 O24 Si24 U4 -","4","1","","Modder, Dieuwertje K.; Palumbo, Chad T.; Douair, Iskander; Scopelliti, Rosario; Maron, Laurent; Mazzanti, Marinella","Single metal four-electron reduction by U(ii) and masked ""U(ii)"" compounds.","Chemical science","2021","12","17","6153","6158","10.1039/d1sc00668a","","x-ray","1.54184","CuKα","","0.0306","0.0273","","","0.0648","0.0665","","","","","","1.04","","","","has coordinates","265778","2021-06-04","10:52:10",""
"1563142","22.6297","0.0005","23.9733","0.0005","23.9063","0.0005","90","","92.9909","0.0018","90","","12951.7","0.5","139.9","0.6","139.9","0.6","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C48 H100 K N7 O6 Si6 U -","- C48 H100 K N7 O6 Si6 U -","- C384 H800 K8 N56 O48 Si48 U8 -","8","1","","Modder, Dieuwertje K.; Palumbo, Chad T.; Douair, Iskander; Scopelliti, Rosario; Maron, Laurent; Mazzanti, Marinella","Single metal four-electron reduction by U(ii) and masked ""U(ii)"" compounds.","Chemical science","2021","12","17","6153","6158","10.1039/d1sc00668a","","x-ray","1.54184","CuKα","","0.0934","0.0502","","","0.1186","0.1328","","","","","","0.841","","","","has coordinates","265778","2021-06-04","10:52:11",""
"1563143","11.477","0.0003","16.679","0.0008","19.0067","0.0008","103.478","0.004","101.463","0.003","90.908","0.003","3460.2","0.2","140","0.1","140","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C48 H100 K N7 O6 Si6 U -","- C48 H100 K N7 O6 Si6 U -","- C96 H200 K2 N14 O12 Si12 U2 -","2","1","","Modder, Dieuwertje K.; Palumbo, Chad T.; Douair, Iskander; Scopelliti, Rosario; Maron, Laurent; Mazzanti, Marinella","Single metal four-electron reduction by U(ii) and masked ""U(ii)"" compounds.","Chemical science","2021","12","17","6153","6158","10.1039/d1sc00668a","","x-ray","1.54184","CuKα","","0.1104","0.1069","","","0.2799","0.2818","","","","","","1.147","","","","has coordinates","265778","2021-06-04","10:52:11",""
"1563412","6.9422","0.0009","18.635","0.002","29.823","0.003","90","","90","","90","","3858.1","0.8","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H27 N3 O3 -","- C22 H27 N3 O3 -","- C176 H216 N24 O24 -","8","1","","Biswas, Suprakash; Dutta, Tanoy; Silswal, Akshay; Bhowal, Rohit; Chopra, Deepak; Koner, Apurba L.","Strategic engineering of alkyl spacer length for a pH-tolerant lysosome marker and dual organelle localization.","Chemical science","2021","12","28","9630","9644","10.1039/d1sc00542a","","","0.71073","MoKα","","0.1247","0.0686","","","0.1574","0.1931","","","","","","1.03","","","","has coordinates","268627","2021-09-06","10:08:49",""
"1563413","9.5249","0.0005","9.5481","0.0006","12.5232","0.0007","90.01","0.004","96.492","0.004","105.918","0.004","1087.64","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H33 N3 O3 -","- C25 H33 N3 O3 -","- C50 H66 N6 O6 -","2","1","","Biswas, Suprakash; Dutta, Tanoy; Silswal, Akshay; Bhowal, Rohit; Chopra, Deepak; Koner, Apurba L.","Strategic engineering of alkyl spacer length for a pH-tolerant lysosome marker and dual organelle localization.","Chemical science","2021","12","28","9630","9644","10.1039/d1sc00542a","","","0.71073","MoKα","","0.1185","0.0591","","","0.1241","0.1504","","","","","","0.968","","","","has coordinates","268627","2021-09-06","10:08:50",""
"1563414","4.92","0.0004","16.6625","0.0017","18.9799","0.0017","87.245","0.003","87.143","0.003","86.58","0.003","1549.7","0.2","100.01","","100.01","","","","","","","","","4","P -1","-P 1","2","","","","- C33 H50 N4 O4 -","- C33 H50 N4 O4 -","- C66 H100 N8 O8 -","2","1","","Biswas, Suprakash; Dutta, Tanoy; Silswal, Akshay; Bhowal, Rohit; Chopra, Deepak; Koner, Apurba L.","Strategic engineering of alkyl spacer length for a pH-tolerant lysosome marker and dual organelle localization.","Chemical science","2021","12","28","9630","9644","10.1039/d1sc00542a","","","0.71073","MoKα","","0.1653","0.0679","","","0.1123","0.1405","","","","","","1.016","","","","has coordinates","268627","2021-09-06","10:08:50",""
"1563415","24.1436","0.0007","9.2164","0.0003","18.0242","0.0005","90","","90","","90","","4010.7","0.2","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C23 H29 N3 O3 -","- C23 H29 N3 O3 -","- C184 H232 N24 O24 -","8","1","","Biswas, Suprakash; Dutta, Tanoy; Silswal, Akshay; Bhowal, Rohit; Chopra, Deepak; Koner, Apurba L.","Strategic engineering of alkyl spacer length for a pH-tolerant lysosome marker and dual organelle localization.","Chemical science","2021","12","28","9630","9644","10.1039/d1sc00542a","","","0.71073","MoKα","","0.0615","0.047","","","0.1089","0.1159","","","","","","1.028","","","","has coordinates","268627","2021-09-06","10:08:50",""
"1563416","8.6541","0.0015","9.2597","0.0018","13.842","0.003","104.249","0.008","97.838","0.008","96.127","0.008","1053.6","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H31 N3 O3 -","- C24 H31 N3 O3 -","- C48 H62 N6 O6 -","2","1","","Biswas, Suprakash; Dutta, Tanoy; Silswal, Akshay; Bhowal, Rohit; Chopra, Deepak; Koner, Apurba L.","Strategic engineering of alkyl spacer length for a pH-tolerant lysosome marker and dual organelle localization.","Chemical science","2021","12","28","9630","9644","10.1039/d1sc00542a","","","0.71073","MoKα","","0.064","0.0462","","","0.1135","0.1233","","","","","","1.047","","","","has coordinates","268627","2021-09-06","10:08:50",""
"1564319","29.117","0.006","5.3771","0.0012","20.697","0.005","90","","128.911","0.005","90","","2521.4","1","100.15","","100.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H24 N2 O1.03 S -","- C36 H24 N2 O1.028 S -","- C144 H96 N8 O4.112 S4 -","4","0.5","","Xu, Zhen; Climent, Clàudia; Brown, Christopher M.; Hean, Duane; Bardeen, Christopher J.; Casanova, David; Wolf, Michael O.","Controlling ultralong room temperature phosphorescence in organic compounds with sulfur oxidation state.","Chemical science","2020","12","1","188","195","10.1039/d0sc04715e","","","0.71073","MoKα","","0.0741","0.0485","","","0.103","0.1136","","","","","","1.078","","","","has coordinates","267936","2021-08-04","11:09:45",""
"1564320","28.655","0.005","5.5039","0.0011","20.506","0.004","90","","128.655","0.005","90","","2525.6","0.9","100.15","","100.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H24 N2 O2 S -","- C36 H24 N2 O2 S -","- C144 H96 N8 O8 S4 -","4","0.5","","Xu, Zhen; Climent, Clàudia; Brown, Christopher M.; Hean, Duane; Bardeen, Christopher J.; Casanova, David; Wolf, Michael O.","Controlling ultralong room temperature phosphorescence in organic compounds with sulfur oxidation state.","Chemical science","2020","12","1","188","195","10.1039/d0sc04715e","","","0.71073","MoKα","","0.0802","0.0454","","","0.092","0.103","","","","","","1.052","","","","has coordinates","267936","2021-08-04","11:09:51",""
"1564612","9.5758","0.0002","11.0583","0.0002","19.9278","0.0003","92.631","0.002","94.094","0.002","91.383","0.002","2101.8","0.07","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C51 H37.5 As Br F0.5 Fe N O3 S -","- C51 H37.5 As Br F0.5 Fe N O3 S -","- C102 H75 As2 Br2 F Fe2 N2 O6 S2 -","2","1","","Kerns, Spencer A.; Seo, Junhyeok; Lynch, Vincent M.; Shearer, Jason; Goralski, Sean T.; Sullivan, Eileen R.; Rose, Michael J.","Scaffold-based [Fe]-hydrogenase model: H<sub>2</sub> activation initiates Fe(0)-hydride extrusion and non-biomimetic hydride transfer.","Chemical science","2021","12","38","12838","12846","10.1039/d0sc03154b","","","1.54184","CuKα","","0.0448","0.0417","","","0.1115","0.1151","","","","","","1.033","","","","has coordinates,has disorder","270409","2021-11-06","19:33:29",""
"1564613","8.769","0.003","11.132","0.003","15.368","0.005","95.038","0.006","102.343","0.007","110.942","0.006","1346.3","0.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H46 Br4 Cl4 Fe2 N2 S2 -","- C56 H46 Br4 Cl4 Fe2 N2 S2 -","- C56 H46 Br4 Cl4 Fe2 N2 S2 -","1","0.5","","Kerns, Spencer A.; Seo, Junhyeok; Lynch, Vincent M.; Shearer, Jason; Goralski, Sean T.; Sullivan, Eileen R.; Rose, Michael J.","Scaffold-based [Fe]-hydrogenase model: H<sub>2</sub> activation initiates Fe(0)-hydride extrusion and non-biomimetic hydride transfer.","Chemical science","2021","12","38","12838","12846","10.1039/d0sc03154b","","","0.71073","MoKα","","0.0565","0.0377","","","0.0945","0.1037","","","","","","1.031","","","","has coordinates","270409","2021-11-06","19:33:29",""
"1564614","12.14","0.0012","14.7031","0.0014","18.334","0.0017","85.196","0.008","78.2","0.008","68.001","0.009","2970.1","0.5","100.1","0.6","100.1","0.6","","","","","","","","6","P -1","-P 1","2","","","","- C68 H50 Fe2 N6 O7 S2 -","- C68 H50 Fe2 N6 O7.005 S2 -","- C136 H100 Fe4 N12 O14.01 S4 -","2","1","","Kerns, Spencer A.; Seo, Junhyeok; Lynch, Vincent M.; Shearer, Jason; Goralski, Sean T.; Sullivan, Eileen R.; Rose, Michael J.","Scaffold-based [Fe]-hydrogenase model: H<sub>2</sub> activation initiates Fe(0)-hydride extrusion and non-biomimetic hydride transfer.","Chemical science","2021","12","38","12838","12846","10.1039/d0sc03154b","","x-ray","1.54184","CuKα","","0.1415","0.0904","","","0.2078","0.2386","","","","","","1.036","","","","has coordinates,has disorder","270409","2021-11-06","19:33:29",""
"1564661","13.0208","0.0005","12.6688","0.0005","8.9165","0.0003","90","","95.368","0.001","90","","1464.4","0.09","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 I N2 O4 -","- C13 H15 I N2 O4 -","- C52 H60 I4 N8 O16 -","4","1","","Wang, Lu; Shi, Fuxing; Qi, Chaorong; Xu, Wenjie; Xiong, Wenfang; Kang, Bangxiong; Jiang, Huanfeng","Stereodivergent synthesis of β-iodoenol carbamates with CO2via photocatalysis","Chemical Science","2021","12","35","11821","11830","10.1039/D1SC03366B","","","0.71073","MoKα","","0.0617","0.0368","","","0.061","0.0701","","","","","","1.037","","","","has coordinates","269158","2021-09-15","22:10:19",""
"1564662","12.6059","0.0014","17.029","0.002","11.5334","0.0016","90","","97.402","0.013","90","","2455.2","0.5","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C26 H21 Cl I N3 O3 -","- C26 H21 Cl I N3 O3 -","- C104 H84 Cl4 I4 N12 O12 -","4","1","","Wang, Lu; Shi, Fuxing; Qi, Chaorong; Xu, Wenjie; Xiong, Wenfang; Kang, Bangxiong; Jiang, Huanfeng","Stereodivergent synthesis of β-iodoenol carbamates with CO2via photocatalysis","Chemical Science","2021","12","35","11821","11830","10.1039/D1SC03366B","","x-ray","0.71073","MoKα","","0.0318","0.0287","","","0.0622","0.0643","","","","","","1.044","","","","has coordinates","269158","2021-09-15","22:10:19",""
"1564663","24.5244","0.0015","25.6507","0.0014","10.3465","0.0006","90","","90","","90","","6508.7","0.7","100.01","0.11","100.01","0.11","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C41.5 H36 Cl N O2 -","- C41.5 H36 Cl N O2 -","- C332 H288 Cl8 N8 O16 -","8","2","","Wang, Lu; Shi, Fuxing; Qi, Chaorong; Xu, Wenjie; Xiong, Wenfang; Kang, Bangxiong; Jiang, Huanfeng","Stereodivergent synthesis of β-iodoenol carbamates with CO2via photocatalysis","Chemical Science","2021","12","35","11821","11830","10.1039/D1SC03366B","","x-ray","0.71073","MoKα","","0.108","0.0816","","","0.1976","0.2232","","","","","","1.034","","","","has coordinates","269158","2021-09-15","22:10:20",""